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1

Combustion chemistry  

SciTech Connect

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

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

1993-12-01

2

Combustion of viscous hydrocarbons  

SciTech Connect

A method is described for utilizing viscous hydrocarbons as combustible pre-atomized fuels, comprising: (A) forming a hydrocarbon-in-water emulsion using an effective amount of a surfactant package comprising at least one water-soluble surfactant, the hydrocarbon-in-water emulsion (1) comprising a hydrocarbon characterized by API gravity of about 20/sup 0/ API or less, viscosity of about 1000 centipoise or greater at 212/sup 0/F., a paraffin content of about 50% by weight or less and, an aromatic content of about 15% by weight or greater, and (2) having a hydrocarbon water ratio from about 60:40 to about 90:10 by volume; and (B) burning the resultant hydrocarbon-in-water emulsion.

Hayes, M.E.; Hrebenar, K.R.; Murphy, P.L.; Futch, L.E. Jr.; Deal, J.F. III; Bolden, P.L. Jr.

1987-08-04

3

Assessment of combustion submodels for turbulent nonpremixed hydrocarbon flames  

Microsoft Academic Search

Data bases generated by direct numerical simulation (DNS) of nonpremixed combustion are used to evaluate stationary laminar flamelet and conditional moment closure (CMC) models of turbulent combustion. The chemical kinetics used for the simulation and modeling is a systematically reduced two-step mechanism for hydrocarbon combustion. Heat release effects on the chemistry are included but a constant density assumption is used.

N. Swaminathan; R. W. Bilger

1999-01-01

4

LOX/Hydrocarbon Combustion Instability Investigation  

NASA Technical Reports Server (NTRS)

The LOX/Hydrocarbon Combustion Instability Investigation Program was structured to determine if the use of light hydrocarbon combustion fuels with liquid oxygen (LOX) produces combustion performance and stability behavior similar to the LOX/hydrogen propellant combination. In particular methane was investigated to determine if that fuel can be rated for combustion instability using the same techniques as previously used for LOX/hydrogen. These techniques included fuel temperature ramping and stability bomb tests. The hot fire program probed the combustion behavior of methane from ambient to subambient temperatures. Very interesting results were obtained from this program that have potential importance to future LOX/methane development programs. A very thorough and carefully reasoned documentation of the experimental data obtained is contained. The hot fire test logic and the associated tests are discussed. Subscale performance and stability rating testing was accomplished using 40,000 lb. thrust class hardware. Stability rating tests used both bombs and fuel temperature ramping techniques. The test program was successful in generating data for the evaluation of the methane stability characteristics relative to hydrogen and to anchor stability models. Data correlations, performance analysis, stability analyses, and key stability margin enhancement parameters are discussed.

Jensen, R. J.; Dodson, H. C.; Claflin, S. E.

1989-01-01

5

Detailed and reduced chemical-kinetic descriptions for hydrocarbon combustion  

NASA Astrophysics Data System (ADS)

Numerical and theoretical studies of autoignition processes of fuels such as propane are in need of realistic simplified chemical-kinetic descriptions that retain the essential features of the detailed descriptions. These descriptions should be computationally feasible and cost-effective. Such descriptions are useful for investigating ignition processes that occur, for example, in homogeneous-charge compression-ignition engines, for studying the structures and dynamics of detonations and in fields such as multi-dimensional Computational Fluid Dynamics (CFD). Reduced chemistry has previously been developed successfully for a number of other hydrocarbon fuels, however, propane has not been considered in this manner. This work focuses on the fuels of propane, as well propene, allene and propyne, for several reasons. The ignition properties of propane resemble those of other higher hydrocarbons but are different from those of the lower hydrocarbons (e.g. ethylene and acetylene). Propane, therefore, may be the smallest hydrocarbon that is representative of higher hydrocarbons in ignition and detonation processes. Since the overall activation energy and ignition times for propane are similar to those of other higher hydrocarbons, including liquid fuels that are suitable for many applications, propane has been used as a model fuel for several numerical and experimental studies. The reason for studying elementary chemistry of propene and C3H4 (allene or propyne) is that during the combustion process, propane breaks down to propene and C3H4 before proceeding to products. Similarly, propene combustion includes C3H4 chemistry. In studying propane combustion, it is therefore necessary to understand the underlying combustion chemistry of propene as well as C3H 4. The first part of this thesis focuses on obtaining and testing a detailed chemical-kinetic description for autoignition of propane, propene and C 3H4, by comparing predictions obtained with this detailed mechanism against numerous experimental data available from shock-tube studies and flame-speed measurements. To keep the detailed mechanism small, attention is restricted to pressures below about 100 atm, temperatures above about 1000 K and equivalence ratios less than about 3. Based on this detailed chemistry description, short (or skeletal) mechanisms are then obtained for each of the three fuels by eliminating reactions that are unimportant for the autoignition process under conditions presented above. This was achieved by utilizing tools such as sensitivity and reaction pathway analyses. Two distinct methodologies were then used in order to obtain a reduced mechanism for autoignition from the short mechanisms. A Systematic Reduction approach is first taken that involves introducing steady-state approximations to as many species as analytically possible. To avoid resorting to numerical methods, the analysis for obtaining ignition times for heptane, presented by Peters and co-workers is followed in order to obtain a rough estimate for an expression of propane ignition time. The results from this expression are then compared to the ignition times obtained computationally with the detailed mechanism. The second method is an Empirical Approach in which chemistry is not derived formally, but rather postulated empirically on the basis of experimental, computational and theoretical observations. As a result, generalized reduced mechanisms are proposed for autoignition of propane, propene and C3H 4. Expressions for ignition times obtained via this empirical approach are compared to the computational results obtained from the detailed mechanism.

Petrova, Maria V.

6

Effect of Hydrogen Enriched Hydrocarbon Combustion on Emissions and Performance  

Microsoft Academic Search

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

Jacob Wall

7

Basic Considerations in the Combustion of Hydrocarbon Fuels with Air  

NASA Technical Reports Server (NTRS)

Basic combustion research is collected, collated, and interpreted as it applies to flight propulsion. The following fundamental processes are treated in separate chapters: atomization and evaporation of liquid fuels, flow and mixing processes in combustion chambers, ignition and flammability of hydrocarbon fuels, laminar flame propagation, turbulent flames, flame stabilization, diffusion flames, oscillations in combustors, and smoke and coke formation in the combustion of hydrocarbon-air mixtures. Theoretical background, basic experimental data, and practical significance to flight propulsion are presented.

Barnett, Henry C; Hibbard, Robert R

1957-01-01

8

Combustion Chemistry via Metadynamics: Benzyl Decomposition Revisited.  

PubMed

Large polycyclic aromatic hydrocarbons (PAHs) are thought to be responsible for the formation of soot particles in combustion processes. However, there are still uncertainties on the course that leads small molecules to form PAHs. This is largely due to the high number of reactions and intermediates involved. Metadynamics combined with ab initio molecular dynamics can provide a very precious contribution because offers the possibility to explore new possible pathways and suggest new mechanisms. Here, we adopt this method to investigate the chemical evolution of the benzyl radical, whose role is very important in PAHs growth. This species has been intensely studied, and though most of its chemistry is known, there are still open questions regarding its decomposition. The simulation reproduces the most commonly accepted decomposition pathway and it suggests also a new one which can explain recent experimental data that are in contradiction with the old mechanism. In addition, quantitative free energy evaluation of some key reaction steps sheds light on the role of entropy. PMID:25587630

Polino, Daniela; Parrinello, Michele

2015-02-12

9

Combustion of hydrocarbon fuels within porous inert media  

Microsoft Academic Search

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

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

1996-01-01

10

Efficient Implementation of Chemistry in Computational Combustion  

Microsoft Academic Search

For hydrocarbon fuels, detailed chemical kinetics typically involve a large number of chemical species and reactions. In a\\u000a high-fidelity combustion calculation, it is essential, though challenging, to incorporate sufficiently detailed chemical kinetics\\u000a to enable reliable predictions of thermo-chemical quantities, especially for pollutants such as NO\\u000a \\u000a x\\u000a and CO. In this paper, we review the recent work on efficient implementation of

Stephen B. Pope; Zhuyin Ren

2009-01-01

11

Biofuel combustion chemistry: from ethanol to biodiesel.  

PubMed

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

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

2010-05-10

12

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

SciTech Connect

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

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

1981-03-01

13

Hydrocarbon-fuel/combustion-chamber-liner materials compatibility  

NASA Technical Reports Server (NTRS)

Results of material compatibility experiments using hydrocarbon fuels in contact with copper-based combustion chamber liner materials are presented. Mil-Spec RP-1, n- dodecane, propane, and methane fuels were tested in contact with OFHC, NASA-Z, and ZrCu coppers. Two distinct test methods were employed. Static tests, in which copper coupons were exposed to fuel for long durations at constant temperature and pressure, provided compatibility data in a precisely controlled environment. Dynamic tests, using the Aerojet Carbothermal Test Facility, provided fuel and copper compatibility data under realistic booster engine service conditions. Tests were conducted using very pure grades of each fuel and fuels to which a contaminant, e.g., ethylene or methyl mercaptan, was added to define the role played by fuel impurities. Conclusions are reached as to degradation mechanisms and effects, methods for the elimination of these mechanisms, selection of copper alloy combustion chamber liners, and hydrocarbon fuel purchase specifications.

Gage, Mark L.

1990-01-01

14

Computationally efficient implementation of combustion chemistry in parallel PDF calculations  

E-print Network

Computationally efficient implementation of combustion chemistry in parallel PDF calculations tabulation (ISAT) algorithm [S.B. Pope, Computationally efficient implementation of combustion chemistry Computing, Cornell University, Ithaca, NY 14853, USA a r t i c l e i n f o Article history: Received 23

15

The chemistry of hydrocarbon ions in the Jovian ionosphere  

NASA Technical Reports Server (NTRS)

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

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

1994-01-01

16

Laser probes of propellant combustion chemistry. Final report 30 Sep 80-31 Jan 84  

SciTech Connect

Laser-induced fluorescence (LIF) can be used to measure the atomic, diatomic, and triatomic free radicals that are the intermediates in combustion chemistry. Coupled with detailed models, which incorporate a sound and consistent set of reaction rate constants, such measurements can lead to an understanding of that chemistry, having predictive value for use under experimentally difficult conditions. This report describes the development of LIF techniques, the applications of such techniques of flames and to laser pyrolysis/laser fluorescence kinetics experiments, studies of rate constant estimations and detailed modeling of combustion chemistry. The chemistry studied is that of combusting mixtures of CH4/N2O, CH2O/N2O, CH2O/NO2, and related compounds. These contain the chemical networks, individual reactions, and radical species present in the gas-phase combustion of nitramine propellants, such as HMX and RDX. The tasks described are LIF diagnostic studies on O, N, OH, NCO, and NH2 in flow systems and flames, rate constant estimation studies for unimolecular decomposition of CH2O and several hydrocarbons, modelling of the CH2O/N2O flame, and laser pyrolysis/laser fluorescence studies of CH4/N2O and CH2O/N2O chemistry.

Crosley, D.R.; Smith, G.P.; Golden, D.M.

1984-03-29

17

A small detailed chemical-kinetic mechanism for hydrocarbon combustion  

SciTech Connect

A chemical-kinetic mechanism is presented that is designed to be used for autoignition, deflagrations, detonations, and diffusion flames of a number of different fuels. To keep the mechanism small, attention is restricted to pressures below about 100 atm, temperatures above about 1000 K, and equivalence ratios less than about 3 for the premixed systems, thereby excluding soot formation and low-temperature fuel-peroxide chemistry. Under these restrictions, hydrogen combustion is included with 21 steps among 8 chemical species, combustion of carbon monoxide with 30 steps among 11 species, methane, methanol, ethane, ethylene, and acetylene combustion with 134 steps among 30 species, and propane, propene, allene, and propyne combustion with 177 steps among 37 species. The mechanism has been extensively tested previously for all of these fuels except propane, propene, allene, and propyne. Tests are reported here for these last four fuels through comparisons with experiments and with predictions of other mechanisms for deflagration velocities and shock-tube ignition. (author)

Petrova, M.V.; Williams, F.A. [Center for Energy Research, Department of Mechanical and Aerospace Engineering, University of California, San Diego, La Jolla, CA 92093 (United States)

2006-02-01

18

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

PubMed Central

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

Atkinson, R; Arey, J

1994-01-01

19

On-Line Measurement of Heat of Combustion of Gaseous Hydrocarbon Fuel Mixtures  

NASA Technical Reports Server (NTRS)

A method for the on-line measurement of the heat of combustion of gaseous hydrocarbon fuel mixtures has been developed and tested. The method involves combustion of a test gas with a measured quantity of air to achieve a preset concentration of oxygen in the combustion products. This method involves using a controller which maintains the fuel (gas) volumetric flow rate at a level consistent with the desired oxygen concentration in the combustion products. The heat of combustion is determined form a known correlation with the fuel flow rate. An on-line computer accesses the fuel flow data and displays the heat of combustion measurement at desired time intervals. This technique appears to be especially applicable for measuring heats of combustion of hydrocarbon mixtures of unknown composition such as natural gas.

Sprinkle, Danny R.; Chaturvedi, Sushil K.; Kheireddine, Ali

1996-01-01

20

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

E-print Network

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

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

2005-01-01

21

Combined dimension reduction and tabulation strategy using ISATRCCEGALI for the efficient implementation of combustion chemistry  

E-print Network

Greedy algorithm PaSR a b s t r a c t Computations of turbulent combustion flows using detailed chemistry been developed to reduce the computational cost of combustion chemistry. These include: 1. Skeletal implementation of combustion chemistry Varun Hiremath a, , Zhuyin Ren b , Stephen B. Pope a a Cornell University

22

Carbon deposition model for oxygen-hydrocarbon combustion, volume 1  

NASA Technical Reports Server (NTRS)

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.

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

1987-01-01

23

An Array of Photodiodes for Monitoring Hydrocarbons Combustions Burners  

NASA Astrophysics Data System (ADS)

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

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

2008-04-01

24

A new comprehensive reaction mechanism for combustion of hydrocarbon fuels  

SciTech Connect

A chemical kinetic model has been developed which describes pyrolysis, ignition and oxidation of many small hydrocarbon fuels over a wide range of experimental conditions. Fuels include carbon monoxide and hydrogen, methane and other alkane species up to n-butane, ethylene, propene, acetylene, and oxygenated species such as methanol, acetaldehyde and ethanol. Formation of some larger intermediate and product species including benzene, butadiene, large olefins, and cyclopentadiene has been treated in a semi-empirical manner. The reaction mechanism has been tested for conditions that do not involve transport and diffusional processes, including plug flow and stirred reactors, batch reactors and shock tubes. The present kinetic model and its validation differ from previous reaction mechanisms in two ways. First, in addition to conventional combustion data, experiments more commonly associated with chemical engineering problems such as oxidative coupling, oxidative pyrolysis and steam cracking are used to test the reaction mechanism, making it even more general than previous models. In addition, H atom abstraction and some other reaction rates, even for the smaller C{sub 2}, C{sub 3} and C{sub 4} species, are treated using approximations that facilitate future extensions to larger fuels in a convenient manner. Construction of the reaction mechanism and comparisons with experimental data illustrate the generality of the model.

Ranzi, E.; Sogaro, A.; Gaffuri, P.; Pennati, G. [Politecnico di Milano (Italy). Dipt. di Chimica Industriale e Ingegneria Chimica; Westbrook, C.K.; Pitz, W.J. [Lawrence Livermore National Lab., CA (United States)

1993-12-03

25

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

E-print Network

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

26

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

E-print Network

computational tech- niques and computer power, a balance has to be made between including detailed chemistryTreating Chemistry in Combustion with Detailed Mechanisms--In Situ Adaptive Tabulation in Principal the calculationcontinuessince less integrationswillbe performed. © 1998by The CombustionInstitute 1. INTRODUCTION Chemistry

27

Steam-enhanced regime for liquid hydrocarbons combustion: velocity distribution in the burner flame  

NASA Astrophysics Data System (ADS)

The lab-scale burner device with proprietary design was used for combustion of diesel fuel in a steam-enhanced regime. This operation mode ensures drastic intensification of liquid hydrocarbon combustion due to supply of superheated steam jet to the combustion zone. The particle image velocimetry technique was used for study of velocity field in the burner flame. The method of seeding of flow zone with new kind of tracers (micro-sized silica particles produced from silicon oil added to liquid fuel) was tested.

Alekseenko, S. V.; Anufriev, I. S.; Vigriyanov, M. S.; Dulin, V. M.; Kopyev, E. P.; Sharypov, O. V.

2014-06-01

28

UV absorption of CO2 for temperature diagnostics of hydrocarbon combustion applications  

E-print Network

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

Lee, Tonghun

29

Modeling the unsteady combustion of solid propellants with detailed chemistry  

NASA Astrophysics Data System (ADS)

Unsteady combustion phenomena are of great interest to the solid propellant community and have been studied for many years. One area of particular interest is the relation between fluctuating pressure and propellant combustion. Pressure fluctuations, such as acoustics, naturally occur inside solid rocket combustion chambers during motor firing. Coupling between these pressure waves and the burning propellant can lead to changes in burning characteristics, a loss of performance, or even motor failure. During the past several years, various researchers have employed detailed chemical reaction mechanisms for modeling steady-state propellant combustion. The current work extends steady-state modeling into the unsteady domain and is particularly focused on the pressure-coupled phenomena. A numerical model was developed to calculate homogeneous propellant combustion under steady or unsteady conditions. The model was separated into two regions: the condensed and gas phases. Variable properties, distributed decomposition and evaporation were included in the condensed phase. The gas phase included detailed chemistry and the solution of the continuity, species, momentum and energy equations. Application was made to the cyclic nitramines, RDX and HMX. Modeling results were obtained for a wide variety of conditions including (1) steady-state; (2) quasi-steady gas phase, unsteady condensed phase; and (3) fully unsteady gas phase, unsteady condensed phase. The effects of pressure and radiant heat flux oscillations were examined through model simulations. It is believed that this work represents the first successful effort to implement both detailed kinetics and a fully unsteady gas phase for oscillatory propellant combustion. Reasonable agreement with steady-state experimental data was achieved for many combustion parameters including burning rate, surface temperature, melt layer thickness, and species concentration profiles. Pressure and heat flux responses (Rp and Rq) were obtained through numerical simulations. Reasonable agreement with experimental data was attained for many cases. In cases where the model failed to predict experimental results, explanations are given. The quasi-steady gas phase assumption was evaluated by comparing quasi-steady simulations with fully unsteady simulations at the same conditions. At low frequencies, the results coincide, but deviations begin to occur above about 100 Hz at atmospheric pressure and above about 1000 Hz for 1000 psi.

Erikson, William W.

30

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

SciTech Connect

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

Marzouk, OA; Huckaby ED

2010-09-01

31

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

DOE Data Explorer

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

32

Photographic Combustion Characterization of LOX/Hydrocarbon Type Propellants  

NASA Technical Reports Server (NTRS)

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.

Judd, D. C.

1980-01-01

33

Photographic combustion characterization of LOX/Hydrocarbon type propellants  

NASA Technical Reports Server (NTRS)

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.

Judd, D. C.

1980-01-01

34

A density functional theory study of hydrocarbon combustion and synthesis on Ni surfaces.  

PubMed

Combustion and synthesis of hydrocarbons may occur directly (CH ? C + H and CO ? C + O) or via a formyl (CHO) intermediate. Density functional theory (DFT) calculations were performed to calculate the activation and reaction energies of these reactions on Ni(111), Ni(110), and Ni(100) surfaces. The results show that the energies are sensitive to the surface structure. The dissociation barrier for methylidyne (CH ? C + H: catalytic hydrocarbon combustion) is lower than that for its oxidation reaction (CH + O ? CHO) on the Ni(110) and Ni(100) surfaces. However the oxidation barrier is lower than that for dissociation on the Ni(111) surface. The dissociation barrier for methylidyne dissociation decreases in the order Ni(111) > Ni(100) > Ni(110). The barrier of formyl dissociation to CO and H is almost the same on the Ni(111) and Ni(110) surfaces and is lower compared to the Ni(100) surface. The energy barrier for carbon monoxide dissociation (CO ? C + O: catalytic hydrocarbon synthesis) is higher than that of for its hydrogenation reaction (CO + H ? CHO) on all three surfaces. This means that the hydrogenation to CHO is favored on these nickel surfaces. The energy barrier for both reactions decreases in the order Ni(111) > Ni(100) > Ni(110). The barrier for formyl dissociation to CH + O decreases in the order Ni(100) > Ni(111) > Ni(110). Based on these DFT calculations, the Ni(110) surface shows a better catalytic activity for hydrocarbon combustion compared to the other surfaces, and Ni is a better catalyst for the combustion reaction than for hydrocarbon synthesis, where the reaction rate constants are small. The reactions studied here support the BEP principles with R(2) values equal to 0.85 for C-H bond breaking/forming and 0.72 for C-O bond breaking /forming reactions. PMID:25690364

Mohsenzadeh, Abas; Richards, Tobias; Bolton, Kim

2015-03-01

35

Photographic combustion characterization of LOX/hydrocarbon type propellants  

NASA Technical Reports Server (NTRS)

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.

Judd, D. C.

1979-01-01

36

Kinetic processes in the plasma formed in combustion of hydrocarbon fuels  

Microsoft Academic Search

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

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

2011-01-01

37

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

SciTech Connect

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

Kopyl, P. V.; Surkont, O. S.; Shibkov, V. M.; Shibkova, L. V. [Moscow State University, Faculty of Physics (Russian Federation)

2012-06-15

38

Hydrocarbon-fuel/combustion-chamber-liner materials compatibility  

NASA Technical Reports Server (NTRS)

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.

Homer, G. David

1991-01-01

39

Characteristics and combustion of future hydrocarbon fuels. [aircraft fuels  

NASA Technical Reports Server (NTRS)

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.

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

1978-01-01

40

Spray Combustion Modeling with VOF and Finite-Rate Chemistry  

NASA Technical Reports Server (NTRS)

A spray atomization and combustion model is developed based on the volume-of-fluid (VOF) transport equation with finite-rate chemistry model. The gas-liquid interface mass, momentum and energy conservation laws are modeled by continuum surface force mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed range flows. The objectives of the present study are: (1) to develop and verify the fractional volume-of-fluid (VOF) cell partitioning approach into a predictor-corrector algorithm to deal with multiphase (gas-liquid) free surface flow problems; (2) to implement the developed unified algorithm in a general purpose computational fluid dynamics (CFD) code, Finite Difference Navier-Stokes (FDNS), with droplet dynamics and finite-rate chemistry models; and (3) to demonstrate the effectiveness of the present approach by simulating benchmark problems of jet breakup/spray atomization and combustion. Modeling multiphase fluid flows poses a significant challenge because a required boundary must be applied to a transient, irregular surface that is discontinuous, and the flow regimes considered can range from incompressible to highspeed compressible flows. The flow-process modeling is further complicated by surface tension, interfacial heat and mass transfer, spray formation and turbulence, and their interactions. The major contribution of the present method is to combine the novel feature of the Volume of Fluid (VOF) method and the Eulerian/Lagrangian method into a unified algorithm for efficient noniterative, time-accurate calculations of multiphase free surface flows valid at all speeds. The proposed method reformulated the VOF equation to strongly couple two distinct phases (liquid and gas), and tracks droplets on a Lagrangian frame when spray model is required, using a unified predictor-corrector technique to account for the non-linear linkages through the convective contributions of VOF. The discontinuities within the sharp interface will be modeled as a volume force to avoid stiffness. Formations of droplets, tracking of droplet dynamics and modeling of the droplet breakup/evaporation, are handled through the same unified predictor-corrector procedure. Thus the new algorithm is non-iterative and is flexible for general geometries with arbitrarily complex topology in free surfaces. The FDNS finite-difference Navier-Stokes code is employed as the baseline of the current development. Benchmark test cases of shear coaxial LOX/H2 liquid jet with atomization/combustion and impinging jet test cases are investigated in the present work. Preliminary data comparisons show good qualitative agreement between data and the present analysis. It is indicative from these results that the present method has great potential to become a general engineering design analysis and diagnostics tool for problems involving spray combustion.

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

1996-01-01

41

Nitrogen chemistry during burnout in fuel-staged combustion  

SciTech Connect

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

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

1996-11-01

42

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

PubMed

As the emission source of polycyclic aromatic hydrocarbons (PAHs), domestic coal combustion has attracted increasing attention in China. According to the coal maturity, combustion form and stove type associated with domestic coal combustion, a large-size, full-flow dilution tunnel and fractional sampling system was employed to collect the emissions from five coals with various maturities, which were burned in the form of raw-coal-chunk (RCC)/honeycomb-coal-briquettes (HCB) in different residential stoves, and then the emission factors of PAHs (EF(PAHs)) were achieved. The results indicate that the EF(PAHs) of bituminous coal ranged from 1.1 mg x kg(-1) to 3.9 mg x kg(-1) for RCC and 2.5 mg x kg(-1) to 21. 1 mg x kg(-1) for HCB, and the anthracite EF(PAH8) were 0.2 mg x kg(-1) for RCC and 0.6 mg x kg(-1) for HCB, respectively. Among all the influence factors of emission factors of PAHs from domestic coal combustion, the maturity of coal played a major role, the range of variance reaching 1 to 2 orders of magnitude in coals with different maturity. Followed by the form of combustion (RCC/HCB), the EF(PAHs) of HCB was 2-6 times higher than that of RCC for the same geological maturity of the coal. The type of stove had little influence on EF(PAHs). PMID:24027979

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

2013-07-01

43

The chemistry of minerals obtained from the combustion of Jordanian oil shale  

E-print Network

The chemistry of minerals obtained from the combustion of Jordanian oil shale Awni Y. Al was performed on the spent oil shale (oil shale ash) obtained from the combustion of Jordanian oil shale process, minimal fragmentation was encountered since Jordanian oil shale contains large proportions of ash

Shawabkeh, Reyad A.

44

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

NASA Technical Reports Server (NTRS)

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.

Wey, Thomas Changju; Liu, Nan-suey

2011-01-01

45

Combustion  

NASA Technical Reports Server (NTRS)

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.

Bulzan, Dan

2007-01-01

46

Analysis of polyaromatic hydrocarbons (PAHs) using cyclodextrin and micellar chemistries  

SciTech Connect

Much of our recent work has focused on the interaction of polyaromatic hydrocarbons (PAHs) with cyclodextrins (CDxs). These interactions are in the form of guest/host complexes where the PAHs serve as guests and the CDxs serve as hosts. This talk will describe the recent developments in our laboratory of cyclodextrins for improved analysis of PAHs.

Warner, I.M.; Zung, J.B.; Blyshak, L. (Emory Univ., Atlanta, GA (USA))

1990-01-01

47

BP Oil Spill and Air Chemistry Crude oil contains various hydrocarbons  

E-print Network

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

Toohey, Darin W.

48

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

E-print Network

Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed as a function of temperature and pressure, we have developed the ReaxFF reactive force field to describe surface. The ReaxFF parameters were determined by fitting to the geometries and energy surfaces from

Goddard III, William A.

49

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

ERIC Educational Resources Information Center

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.…

Inner London Education Authority (England).

50

Emissions of polycyclic aromatic hydrocarbons from combustion of agricultural and sylvicultural debris  

NASA Astrophysics Data System (ADS)

In this work, 28 parent and substituted-polycyclic aromatic hydrocarbons (PAHs) have been quantified in 76 smoke samples produced by burning pine wood, pine needles, prickly pear and almond skin using two different kinds of combustion devices. The results show a great variability in the total concentrations of the PAHs, while their proportions in the different samples are practically independent of the type of biomass that is burned. Just a few PAHs with low molecular weight—naphthalene, 1- and 2-methylnaphthalene, acenaphthylene and phenanthrene—are the most common in the different smoke samples, representing between 61% and 72% of the total. The high correlation coefficients between naphthalene and the total concentrations of PAHs, or between naphthalene and the concentrations of PAHs grouped by number of rings, demonstrate that all combustion processes studied are equally affected by the variables that regulate those processes. The results underscore the important role that naphthalene plays in the formation of higher molecular weight PAHs by pyrosynthesis and show that the naphthalene concentration can be used as an indicator of the total hydrocarbons content in the smoke.

Conde, Francisco J.; Ayala, Juan H.; Afonso, Ana M.; González, Venerando

51

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

PubMed Central

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

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

52

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

PubMed

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

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

2010-03-01

53

Combustion  

NSDL National Science Digital Library

In this chemistry activity, learners discover that the weight of the product of combustion is greater than that of the starting material. Learners will compare the weight of steel wool before and after it is heated. Learners are asked to consider why the steel wool weighs more (oxidation) as well as write the balanced chemical equation for the burning of steel. This activity uses an open flame; adult supervision is recommended. The resource includes notes for educators and extension ideas.

2014-01-28

54

Chemistry and radiation in oxy-fuel combustion: A computational fluid dynamics modeling study  

Microsoft Academic Search

In order to investigate the role of combustion chemistry and radiation heat transfer in oxy-fuel combustion modeling, a computational fluid dynamics (CFD) modeling study has been performed for two different oxy-fuel furnaces. One is a lab-scale 0.8MW oxy-natural gas flame furnace whose detailed in-flame measurement data are available; the other is a conventional 609MW utility boiler which is assumed to

Chungen Yin; Lasse A. Rosendahl; Søren K. Kær

2011-01-01

55

Chemistry and the Internal Combustion Engine II: Pollution Problems.  

ERIC Educational Resources Information Center

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)

Hunt, C. B.

1979-01-01

56

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

NASA Astrophysics Data System (ADS)

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

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

57

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

NASA Technical Reports Server (NTRS)

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.

Gordon, S.

1982-01-01

58

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

PubMed

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

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

2012-06-01

59

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

NASA Astrophysics Data System (ADS)

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

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

2013-04-01

60

Chemistry and combustion of fit-for-purpose biofuels.  

PubMed

From the inception of internal combustion engines, biologically derived fuels (biofuels) have played a role. Nicolaus Otto ran a predecessor to today's spark-ignition engine with an ethanol fuel blend in 1860. At the 1900 Paris world's fair, Rudolf Diesel ran his engine on peanut oil. Over 100 years of petroleum production has led to consistency and reliability of engines that demand standardized fuels. New biofuels can displace petroleum-based fuels and produce positive impacts on the environment, the economy, and the use of local energy sources. This review discusses the combustion, performance and other requirements of biofuels that will impact their near-term and long-term ability to replace petroleum fuels in transportation applications. PMID:23664492

Rothamer, David A; Donohue, Timothy J

2013-06-01

61

Combustion Chemistry of HAN, TEAN, and XM46  

Microsoft Academic Search

Combustion characteristics and related chemical processes were investigated for a HAN-based liquid propellant, XM46, and its ingredients, HAN and TEAN. Experiments were conducted over the pressure range of 0.1 to 1 atmosphere and at the heat fluxes from 50 to 400 W\\/cm in air and inert gas environments. Flame behavior was observed using a high magnification video system. A triple

YOUNG JOO LEE; THOMAS A. LITZINGER

1999-01-01

62

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

SciTech Connect

Results of material compatibility experiments using hydrocarbon fuels in contact with copper-based combustion chamber liner materials are presented. Mil-Spec RP-1, n- dodecane, propane, and methane fuels were tested in contact with OFHC, NASA-Z, and ZrCu coppers. Two distinct test methods were employed. Static tests, in which copper coupons were exposed to fuel for long durations at constant temperature and pressure, provided compatibility data in a precisely controlled environment. Dynamic tests, using the Aerojet Carbothermal Test Facility, provided fuel and copper compatibility data under realistic booster engine service conditions. Tests were conducted using very pure grades of each fuel and fuels to which a contaminant, e.g., ethylene or methyl mercaptan, was added to define the role played by fuel impurities. Conclusions are reached as to degradation mechanisms and effects, methods for the elimination of these mechanisms, selection of copper alloy combustion chamber liners, and hydrocarbon fuel purchase specifications.

Gage, M.L.

1990-04-01

63

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

NASA Astrophysics Data System (ADS)

The rapid population growth in large urban areas, has resulted in a precipitous increase in the consumption of fossil fuels, mainly by the transport sector, diesel vehicles are a significant source of air pollution by particulate matter emissions, damaging the population health, because of the size and composition of these particles, as they may contain carcinogenic organic compounds such as polycyclic aromatic hydrocarbons and their derivatives, nitro-PAH. This study focused on analysis of nitro-PAH contained in particles emitted from diesel engines fuelled with biodiesel blends (B5, B10 and B16.67) to different driving cycles (rpm and torque), and to compare their concentrations with emissions from current diesel. A diesel truck engine was used in the laboratory for collect particulate mass emitted directly from the exhaust. Mass of particles and nitro-PAH were determined by gas chromatography-mass spectrometry using negative chemical ionization. No reduction was observed in the particles mass per second by using biodiesel relative to diesel (p > 0.1). Seven nitro-PAH were observed in samples: 1-nitronaphthalene, 2-nitronaphthalene, 9-nitroanthracene, 3-nitrophenanthrene, 1,8-dinitronaphthalene, 1-nitropyrene and 1,6-dinitropyrene. 1-nitropyrene showed the highest mass concentration in diesel and in all blends of biodiesel, followed by 3-nitrophenanthrene. Emissions reduction in biodiesel combustion with respect to diesel combustion were observed for 1-nitropyrene: 50 %, in all blends (B5, B10 and B16.67) and for 3-nitrophenanthrene: 55 % in B5, 72 % in B10 and 64 % in B16.67.

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

2013-05-01

64

The effects of detailed chemistry and transport on microgravity droplet combustion  

NASA Technical Reports Server (NTRS)

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.

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

1995-01-01

65

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

Microsoft Academic Search

Combustion of Hâ\\/hydrocarbon (HC) fuel mixtures may be considered in certain volume-limited supersonic airbreathing propulsion applications. Effects of HC addition to Hâ 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 (Nâ and\\/or HC)-diluted Hâ mixture opposed

G. L. Pellett; R. Guerra; L. G. Wilson; R. N. Reeves; G. B. Northam

1987-01-01

66

Distribution of polycyclic aromatic hydrocarbons in fly ash during coal and residual char combustion in a pressurized fluidized bed  

Microsoft Academic Search

To investigate the distribution of polycyclic aromatic hydrocarbons (PAHs) in fly ash, the combustion of coal and residual char was performed in a pressurized spouted fluidized bed. After Soxhlet extraction and Kuderna-Danish (K-D) concentration, the contents of 16 PAHs recommended by the United States Environmental Protection Agency (U.S. EPA) in coal, residual char, and fly ash were analyzed by a

Hongcang Zhou; Baosheng Jin; Rui Xiao; Zhaoping Zhong; Yaji Huang

2009-01-01

67

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

NASA Technical Reports Server (NTRS)

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.

Makel, Darby B.; Rosenberg, Sanders D.

1990-01-01

68

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

SciTech Connect

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.

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

1987-09-01

69

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

SciTech Connect

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.

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

1987-09-01

70

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

NASA Technical Reports Server (NTRS)

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.

Michel, R. W.

1983-01-01

71

Hydrocarbons  

Microsoft Academic Search

This book details research and development programs taking place to ensure hydrocarbon availability in the future. At present, hydrocarbons are the single most important source of energy, since they are the most versatile and widely used energy form. It is expected that their primary role in energy production will extend well into the next century. This book presents a review

G. Imarisio; M. Frias; J. M. Bemtgen

1989-01-01

72

Investigation and Optimization of Biodiesel Chemistry for HCCI Combustion  

SciTech Connect

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

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

2011-01-01

73

Investigation and Optimization of Biodiesel Chemistry for HCCI Combustion  

SciTech Connect

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

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

2014-06-23

74

Sensitivity of ozone predictions to biogenic hydrocarbon chemistry and emissions in air quality models  

SciTech Connect

Over the last decade, there is growing evidence that biogenic hydrocarbons play an important role in regional and urban ozone (O{sub 3}) formation in the United States. As a result, the regulatory guidelines issued by the USEPA require that biogenic emissions be included in photochemical modeling. Significant changes and improvement have also been made for estimating the emissions and chemical reaction rates of biogenic hydrocarbons in air quality models. In this paper the authors examine the sensitivity of ozone predictions to the changes in biogenic hydrocarbon chemistry and emissions and investigate why ozone is sensitive to these changes. They first use a Lagrangian box model, the OZIPR/EKMA model, to examine the differences of O{sub 3} predicted using two sets of chemical mechanisms, the original CB4 mechanism and the updated CB4 mechanism with new isoprene chemistry under various emission scenarios. The results show that in the selected urban case, the updated CB4 mechanism predicted lower O{sub 3} than the original CB4 mechanism because of the lower isoprene incremental reactivity in the updated CB4 mechanism. However, in the selected rural case, the updated CB4 mechanism predicted higher O{sub 3} than the original CB4, which is in contradiction to a recent OTAG study using the updated CB4 mechanism. The Eulerian grid model simulation using the MCNC`s EDSS/MAQSIP system further lends support to the box model results. The grid model simulations show that the updated CB4 mechanism predicts much lower O{sub 3} than the original CB4 mechanism over the areas where significant amount of NO{sub x} is emitted; on the contrary, over the Southeastern US region with high isoprene emission rates, the updated CB4 mechanism predicts much higher O{sub 3}.

Jang, C.J.; Lo, S.C.Y.; Vukovich, J.; Kasibhatla, P. [MCNC-North Carolina Supercomputing Center, Research Triangle Park, NC (United States)

1997-12-31

75

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

SciTech Connect

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

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

2008-11-13

76

The chemistry of biogenic hydrocarbons at a rural site in eastern Canada  

NASA Astrophysics Data System (ADS)

An intensive field study was undertaken in southern Nova Scotia, on the east coast of Canada, for several weeks during the summer of 1996 as part of the North American Research Strategy for Tropospheric Ozone - Canada East (NARSTO-CE) 1996 field measurement campaign. Clean air conditions prevailed during most of the study period, which allowed an examination of biogenic hydrocarbon chemistry with minimal influence from anthropogenic pollutants. Low NOx mixing ratios during the study had an impact on the ratio of isoprene's oxidation products methyl vinyl ketone (MVK) and methacrolein (MACR) to isoprene. The effects include changes to the fate of isoprene peroxy radicals and to the concentration of OH compared to conditions of higher [NOx]. Comparison to other studies indicate that there is a relationship between the ratio (MVK+MACR)/isoprene and the mixing ratio of NOx. Biogenic hydrocarbons were the dominant reactive volatile organic compound (VOC) precursors to ozone production in this region, although the net ozone production rate predicted by a box-model simulation of the measurement data was only <1 ppbv h-1. The evidence confirms that ozone production at this site is very NOx-sensitive. Model simulations indicated that the ozonolysis of biogenic hydrocarbons is an important source of the hydroxyl radical at this site and that OH was, in fact, the dominant oxidant during the nighttime under the observed low NOx conditions. Although the OH source did affect the nighttime mixing ratios of biogenic hydrocarbons, it could not fully explain the rapid nocturnal decay of isoprene observed on most evenings.

Biesenthal, T. A.; Bottenheim, J. W.; Shepson, P. B.; Li, S.-M.; Brickell, P. C.

1998-10-01

77

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

Microsoft Academic Search

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

Z. A. Mansurov

2011-01-01

78

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

PubMed

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

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

2011-03-15

79

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

SciTech Connect

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. 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 illustrated by comparing modeling results using detailed kinetics to those obtained when hydrocarbon and volatile-nitrogen oxidation are described with empirical, global kinetic rate expressions from literature. Submodels that need further improvements are discussed.

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

1999-07-01

80

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

NASA Astrophysics Data System (ADS)

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

Gillon, X.; Houssiau, L.

2014-08-01

81

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

NASA Astrophysics Data System (ADS)

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

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

2010-12-01

82

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

PubMed

Coal consumption is one important contributor to energy production, and is regarded as one of the most important sources of air pollutants that have considerable impacts on human health and climate change. Emissions of polycyclic aromatic hydrocarbons (PAHs) from coal combustion were studied in a typical stove. Emission factors (EFs) of 16 EPA priority PAHs from tested coals ranged from 6.25 ± 1.16 mg kg(-1) (anthracite) to 253 ± 170 mg kg(-1) (bituminous), with NAP and PHE dominated in gaseous and particulate phases, respectively. Size distributions of particulate phase PAHs from tested coals showed that they were mostly associated with particulate matter (PM) with size either between 0.7 and 2.1 ?m or less than 0.4 ?m (PM0.4). In the latter category, not only were more PAHs present in PM0.4, but also contained higher fractions of high molecular weight PAHs. Generally, there were more than 89% of total particulate phase PAHs associated with PM2.5. Gas-particle partitioning of freshly emitted PAHs from residential coal combustions were thought to be mainly controlled by absorption rather than adsorption, which is similar to those from other sources. Besides, the influence of fuel properties and combustion conditions was further investigated by using stepwise regression analysis, which indicated that almost 57 ± 10% of total variations in PAH EFs can be accounted for by moisture and volatile matter content of coal in residential combustion. PMID:24179437

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

2010-12-01

83

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

PubMed Central

Coal consumption is one important contributor to energy production, and is regarded as one of the most important sources of air pollutants that have considerable impacts on human health and climate change. Emissions of polycyclic aromatic hydrocarbons (PAHs) from coal combustion were studied in a typical stove. Emission factors (EFs) of 16 EPA priority PAHs from tested coals ranged from 6.25 ± 1.16 mg kg?1 (anthracite) to 253 ± 170 mg kg?1 (bituminous), with NAP and PHE dominated in gaseous and particulate phases, respectively. Size distributions of particulate phase PAHs from tested coals showed that they were mostly associated with particulate matter (PM) with size either between 0.7 and 2.1 ?m or less than 0.4 ?m (PM0.4). In the latter category, not only were more PAHs present in PM0.4, but also contained higher fractions of high molecular weight PAHs. Generally, there were more than 89% of total particulate phase PAHs associated with PM2.5. Gas-particle partitioning of freshly emitted PAHs from residential coal combustions were thought to be mainly controlled by absorption rather than adsorption, which is similar to those from other sources. Besides, the influence of fuel properties and combustion conditions was further investigated by using stepwise regression analysis, which indicated that almost 57 ± 10% of total variations in PAH EFs can be accounted for by moisture and volatile matter content of coal in residential combustion. PMID:24179437

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

2013-01-01

84

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...

85

Reduction of light hydrocarbon combustion mechanisms and speciation study of industrial flares through computational fluid dynamics (CFD) methods  

NASA Astrophysics Data System (ADS)

Industrial ethylene flares are considered to be a probable major source of Volatile Organic Compounds (VOCs) such as formaldehyde. Due to the difficulty and cost of field measurements, currently on-line monitoring is not practical and other methods must be employed. Current methodologies for calculating speciated and total VOC emissions from flaring activities generally apply a simple mass reduction to the VOC species sent to the flare that does not consider the production of incomplete combustion or other intermediates. There arises a need of a speciation study for the inspection of these flares for their emissions. However, most of the detailed kinetic mechanisms for the speciation study of flaring events are too complex, and consist of large numbers of reactions and species, and also are computationally expensive. Thus a reduced mechanism will be desirable for improving computational efficiency. In this dissertation, a 50-species reduced mechanism for simulating ethylene flaring, namely LU1.0, is presented. Then, a 50-species mechanism for C 1-C3 hydrocarbons was developed through exhaustive search. These two algorithms were developed by reducing a detailed mechanism of 93 species and 600 reactions. The reduced mechanisms were validated successfully against literature results of various key performance indicators: laminar flame speeds, adiabatic flame temperature, ignition delay tests and burner stabilized flame. It is demonstrated that simulation results using this reduced mechanism are in good agreement with reported experimental results. This dissertation also presents a novel Run Time Combustion Zoning (RTCZ) technique based on the working principle of Eddy Dissipation Concept (EDC) for combustion modeling. This technique selectively chooses cells in which the full reaction mechanism needs to be solved. The selection criterion is based on the concept of differentiating between combustion and the non-combustion zone. With this approach, considerable reduction in computational load and stability of the solution was observed and even the number of iterations required to achieve a stable solution was significantly reduced.

Vaid, Hitesh S.

86

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

Microsoft Academic Search

A number of isomeric C[sub 18]H[sub 10] polycyclic aromatic hydrocarbons (PAHs), thought to be primarily cyclopenta-fused PAHs, are produced during the combustion and pyrolysis of fossil fuels. To determine the importance of their contributions to the total mutagenic activity of combustion and pyrolysis samples in which they are found, we characterized reference quantities of four C[sub 18]H[sub 10] CP-PAHs: benzol

A. L. Lafleur; J. P. Longwell; J. A. Marr; P. A. Monchamp; W. G. Thilly; P. P. Y. Mulder; B. B. Boere; J. Cornelisse; J. Lugtenburg

1993-01-01

87

Combustion of butanol isomers - A detailed molecular beam mass spectrometry investigation of their flame chemistry  

SciTech Connect

The combustion chemistry of the four butanol isomers, 1-, 2-, iso- and tert-butanol was studied in flat, premixed, laminar low-pressure (40 mbar) flames of the respective alcohols. Fuel-rich ({phi} = 1.7) butanol-oxygen-(25%)argon flames were investigated using different molecular beam mass spectrometry (MBMS) techniques. Quantitative mole fraction profiles are reported as a function of burner distance. In total, 57 chemical compounds, including radical and isomeric species, have been unambiguously assigned and detected quantitatively in each flame using a combination of vacuum ultraviolet (VUV) photoionization (PI) and electron ionization (EI) MBMS. Synchrotron-based PI-MBMS allowed to separate isomeric combustion intermediates according to their different ionization thresholds. Complementary measurements in the same flames with a high mass-resolution EI-MBMS system provided the exact elementary composition of the involved species. Resulting mole fraction profiles from both instruments are generally in good quantitative agreement. In these flames of the four butanol isomers, temperature, measured by laser-induced fluorescence (LIF) of seeded nitric oxide, and major species profiles are strikingly similar, indicating seemingly analog global combustion behavior. However, significant variations in the intermediate species pool are observed between the fuels and discussed with respect to fuel-specific destruction pathways. As a consequence, different, fuel-specific pollutant emissions may be expected, by both their chemical nature and concentrations. The results reported here are the first of their kind from premixed isomeric butanol flames and are thought to be valuable for improving existing kinetic combustion models. (author)

Osswald, Patrick; Gueldenberg, Hanna; Kohse-Hoeinghaus, Katharina [Department of Chemistry, Bielefeld University (Germany); Yang, Bin [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui (China); Department of Aerospace and Mechanical Engineering, University of Southern California, Los Angeles, CA (United States); Yuan, Tao; Qi, Fei [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui (China)

2011-01-15

88

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

SciTech Connect

Charcoal is one of the major energy resources in tropical countries. We investigate the combustion processes in charcoal production kilns in Zambia and Brazil. The Zambian kilns were made of earth and there was sufficient air for combustion inside the kilns. The Brazilian kilns were made of bricks which limited the available oxygen. The combustion efficiency and the concentrations of CO{sub 2}, CO, CH{sub 4}, C{sub 2}-C{sub 6} alkanes and alkenes, and aromatic compounds produced were monitored throughout the combustion processes. The contributions of charcoal production processes to the atmospheric sources of these gases were estimated. The strategies for improving charcoal yield and reducing emissions of carbon-containing compounds are discussed.

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

1995-12-01

89

Further investigation of the impact of the co-combustion of tire-derived fuel and petroleum coke on the petrology and chemistry of coal combustion products  

SciTech Connect

A Kentucky cyclone-fired unit burns coal and tire-derived fuel, sometimes in combination with petroleum coke. A parallel pulverized combustion (pc) unit at the same plant burns the same coal, without the added fuels. The petrology, chemistry, and sulfur isotope distribution in the fuel and resulting combustion products was investigated for several configurations of the fuel blend. Zinc and Cd in the combustion products are primarily contributed from the tire-derived fuel, the V and Ni are primarily from the petroleum coke, and the As and Hg are probably largely from the coal. The sulfur isotope distribution in the cyclone unit is complicated due to the varying fuel sources. The electrostatic precipitator (ESP) array in the pc unit shows a subtle trend towards heavier S isotopic ratios in the cooler end of the ESP.

Hower, J.C.; Robertson, J.D.; Elswick, E.R.; Roberts, J.M.; Brandsteder, K.; Trimble, A.S.; Mardon, S.M. [University of Kentucky, Lexington, KY (United States). Center for Applied Energy Research

2007-07-01

90

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

PubMed

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

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

2012-01-01

91

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

SciTech Connect

A USEPA procedure, ISCLT3 (Industrial Source Complex Long-Term), was applied to model the spatial distribution of polycyclic aromatic hydrocarbons (PAHs) emitted from various sources including coal, petroleum, natural gas, and biomass into the atmosphere of Tianjin, China. Benzo(a)pyrene equivalent concentrations (BaPeq) were calculated for risk assessment. Model results were provisionally validated for concentrations and profiles based on the observed data at two monitoring stations. The dominant emission sources in the area were domestic coal combustion, coke production, and biomass burning. Mainly because of the difference in the emission heights, the contributions of various sources to the average concentrations at receptors differ from proportions emitted. The shares of domestic coal increased from {approximately} 43% at the sources to 56% at the receptors, while the contributions of coking industry decreased from {approximately} 23% at the sources to 7% at the receptors. The spatial distributions of gaseous and particulate PAHs were similar, with higher concentrations occurring within urban districts because of domestic coal combustion. With relatively smaller contributions, the other minor sources had limited influences on the overall spatial distribution. The calculated average BaPeq value in air was 2.54 {+-} 2.87 ng/m{sup 3} on an annual basis. Although only 2.3% of the area in Tianjin exceeded the national standard of 10 ng/m{sup 3}, 41% of the entire population lives within this area. 37 refs., 9 figs.

Shu Tao; Xinrong Li; Yu Yang; Raymond M. Coveney, Jr.; Xiaoxia Lu; Haitao Chen; Weiran Shen [Peking University, Beijing (China). Laboratory for Earth Surface Processes, College of Environmental Sciences

2006-08-01

92

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

SciTech Connect

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

Cappelli, Mark; Mungal, M Godfrey

2014-10-28

93

Study of flame characteristics during liquid hydrocarbons combustion with steam gasification  

NASA Astrophysics Data System (ADS)

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

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

2014-11-01

94

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

NASA Technical Reports Server (NTRS)

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

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

2000-01-01

95

Effects of aqueous chemistry on the binding of polycyclic aromatic hydrocarbons by dissolved humic materials  

SciTech Connect

The influence of solution chemistry on the binding of three polycyclic aromatic hydrocarbons (PAHs) by well-characterized humic material (Suwannee River humic and fulvic acid) was examined by using fluorescence quenching techniques. The experiments show that binding is complete within 3 min and that the fluorescence of PAH compounds associated with the humic substances is fully quenched as evidenced by quantum yields which approached zero for all systems. These observations validate the use of fluorescence quenching in determining partition coefficients. In NaCl solutions, the binding of PAHs by Suwannee River humic material generally decreased with increases in pH (constant ionic strength) and generally decreased with increasing ionic strength (fixed pH). The presence of Ca[sup 2+] yielded mixed results: at neutral to high pH values, it generally increased the binding of PAHs relative to that in NaCl solutions, while at low pH it generally had little effect on the binding. From the results of this study, it is hypothesized that the binding of a particular PAH compound by Suwannee River humic substances depends not only on the hydrophobicity of the PAH solute but also on the size of the solute molecule and its ability to fit into hydrophobic cavities in humic and fulvic material. This hypothesis is supported by the experimental observations above, as well as the failure of a Flory-Huggins partitioning (i.e., dissolution) model to consistently characterize the hydrophobic environment of the humic substances. 47 refs., 6 figs., 3 tabs.

Schlautman, M.A.; Morgan, J.J. (California Inst. of Technology, Pasadena (United States))

1993-05-01

96

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

PubMed

Fuels of the furan family, i.e. furan itself, 2-methylfuran (MF), and 2,5-dimethylfuran (DMF) are being proposed as alternatives to hydrocarbon fuels and are potentially accessible from cellulosic biomass. While some experiments and modeling results are becoming available for each of these fuels, a comprehensive experimental and modeling analysis of the three fuels under the same conditions, simulated using the same chemical reaction model, has - to the best of our knowledge - not been attempted before. The present series of three papers, detailing the results obtained in flat flames for each of the three fuels separately, reports experimental data and explores their combustion chemistry using kinetic modeling. The first part of this series focuses on the chemistry of low-pressure furan flames. Two laminar premixed low-pressure (20 and 40 mbar) flat argon-diluted (50%) flames of furan were studied at two equivalence ratios (?=1.0 and 1.7) using an analytical combination of high-resolution electron-ionization molecular-beam mass spectrometry (EI-MBMS) in Bielefeld and gas chromatography (GC) in Nancy. The time-of-flight MBMS with its high mass resolution enables the detection of both stable and reactive species, while the gas chromatograph permits the separation of isomers. Mole fractions of reactants, products, and stable and radical intermediates were measured as a function of the distance to the burner. A single kinetic model was used to predict the flame structure of the three fuels: furan (in this paper), 2-methylfuran (in Part II), and 2,5-dimethylfuran (in Part III). A refined sub-mechanism for furan combustion, based on the work of Tian et al. [Combustion and Flame 158 (2011) 756-773] was developed which was then compared to the present experimental results. Overall, the agreement is encouraging. The main reaction pathways involved in furan combustion were delineated computing the rates of formation and consumption of all species. It is seen that the predominant furan consumption pathway is initiated by H-addition on the carbon atom neighboring the O-atom with acetylene as one of the dominant products. PMID:24518999

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

97

Effect of fuel nitrogen and hydrogen content on emissions in hydrocarbon combustion  

NASA Technical Reports Server (NTRS)

The results of an investigation of the effect of operating conditions and fuel properties on emission for the two-stage combustion of fuels with significant organic nitrogen content are presented. The way in which the emissions of nitrogen oxides and carbon monoxide are affected by the decreased hydrogen content and the increased organic nitrogen content of coal-derived fuels is discussed. Limited measurements of smoke from the rich-lean combustion of simulated syncrude fuels indicate relatively high smoke emissions in spite of the very lean second-stage burning. This fact, together with the high observed carbon monoxide emissions, suggests that trade-offs will be necessary between the conditions that minimize NOx and those that control CO and smoke emissions.

Bittker, D. A.; Wolfbrandt, G.

1981-01-01

98

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

PubMed

Potential effects of natural emissions of hydrocarbons in the marine environment have been poorly investigated. In this study, a multidisciplinary weight of evidence (WOE) study was carried out on a shallow seepage, integrating sediment chemistry with bioavailability and onset of subcellular responses (biomarkers) in caged eels and mussels. Results from different lines of evidence (LOEs) were elaborated within a quantitative WOE model which, based on logical flowcharts, provide synthetic indices of hazard for each LOE, before their integration in a quantitative risk assessment. Evaluations of different LOEs were not always in accordance and their overall elaboration summarized as Moderate the risk in the seepage area. This study provided first evidence of biological effects in organisms exposed to natural hydrocarbon emissions, confirming the limit of chemical characterization as stand-alone criteria for environmental quality assessment and the utility of multidisciplinary investigations to determine the good environmental status as required by Environmental Directives. PMID:24246782

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

2014-02-01

99

Combustion efficiency and altitude operational limits of three liquid hydrocarbon fuels having high volumetric energy content in a J33 single combustor  

NASA Technical Reports Server (NTRS)

Combustion efficiency and altitude operational limits were determined in a J33 single combustor for AN-F-58 fuel and three liquid hydrocarbon fuels having high volumetric energy content (decalin, tetralin, and monomethylnaphthalene) at simulated altitude and combustor inlet-air conditions. At the conditions investigated, the combustion efficiency for the four fuels generally decreased with an increase in volumetric energy content. The altitude operational limits for decalin and tetralin fuels were higher than for AN-F-58 fuel; monomethylnaphthalene fuel gave the lowest altitude operational limit.

Stricker, Edward G

1950-01-01

100

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

SciTech Connect

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

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

2010-12-12

101

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

PubMed

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

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

2004-10-15

102

FUNDAMENTAL COMBUSTION RESEARCH APPLIED TO POLLUTION FORMATION. VOLUME 2B. PHYSICS AND CHEMISTRY OF TWO-PHASE SYSTEMS: DEVOLATILIZATION AND VOLATILE REACTIONS  

EPA Science Inventory

The reports included in the three-part volume describe eight studies by various investigators, to better understand the physics and chemistry of two-phase combustion with respect to pollution formation. Volume IIb gives information on the influence of various combustion parameter...

103

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

PubMed

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, we 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 < T5 < 1700 K, 3 < P5 < 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. PMID:25594229

Lynch, Patrick T; Troy, Tyler P; Ahmed, Musahid; Tranter, Robert S

2015-02-17

104

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

SciTech Connect

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.

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

1990-05-01

105

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

SciTech Connect

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

Dryer, Frederick L.

2009-04-10

106

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

EPA Science Inventory

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

107

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

SciTech Connect

Combustion of H/sub 2//hydrocarbon (HC) fuel mixtures may be considered in certain volume-limited supersonic airbreathing propulsion applications. Effects of HC addition to H/sub 2/ 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 (N/sub 2/ and/or HC)-diluted H/sub 2/ mixture opposed by a similar jet of air at ambient conditions. The OJB data, derived from respective binary mixtures of H/sub 2/ 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.

Pellett, G.L.; Guerra, R.; Wilson, L.G.; Reeves, R.N.; Northam, G.B.

1987-01-01

108

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

NASA Technical Reports Server (NTRS)

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.

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

1987-01-01

109

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

PubMed

In the present work, engine and tailpipe (after a three-way catalytic converter) emissions from an internal combustion engine operating on two oxygenated blend fuels [containing 2 and 11% weight/weight (w/w) methyl tertiary butyl ether (MTBE)] and on a nonoxygenated base fuel were characterized. The engine (OPEL 1.6 L) was operated under various conditions, in the range of 0-20 HP. Total unburned hydrocarbons, carbon monoxide, methane, hexane, ethylene, acetaldehyde, acetone, 2-propanol, benzene, toluene, 1,3-butadiene, acetic acid, and MTBE were measured at each engine operating condition. As concerns the total HC emissions, the use of MTBE was beneficial from 1.90 to 3.81 HP, which were by far the most polluting conditions. Moreover, CO emissions in tailpipe exhaust were decreased in the whole operation range with increasing MTBE in the fuel. The greatest advantage of MTBE addition to gasoline was the decrease in ethylene, acetaldehyde, benzene, toluene, and acetic acid emissions in engine exhaust, especially when MTBE content in the fuel was increased to 11% w/w. In tailpipe exhaust, the catalyst operation diminished the observed differences. Ethylene, methane, and acetaldehyde were the main compounds present in exhaust gases. Ethylene was easily oxidized over the catalyst, while acetaldehyde and methane were quite resistant to oxidation. PMID:15658218

Poulopoulos, S G; Philippopoulos, C J

2001-07-01

110

Combustion kinetics of light hydrocarbons in the presence of nitrogen oxide  

SciTech Connect

An experimental analysis of the interactions between different hydrocarbons and NO is reported. All the experiments have been carried out in a perfectly stirred reactor, operated isothermally in the temperature range 1,050--1,250 K, with stoichiometric ratios ranging between 1.0 and 1.3. It has been found that, close to the higher temperature values investigated, the NO conversion as a function of the stoichiometric ratio shows a maximum around 1.15--1.20, both in the case of pure methane and methane-ethane mixtures in the feed. Moreover, the addition of NO significantly enhances the system reactivity at the lower temperatures investigated. The ethane content in the feed plays a different role depending upon the temperature value considered. At the lowest temperatures investigated the larger the amount of ethane, the higher the NO abatement, while at the higher temperatures the methane-ethane mixtures always show a larger NO conversion than that of pure methane. However, when increasing the ethane content in the feed, the NO conversion decreases. Finally, various detailed kinetic models (with particular reference to that developed by Miller and Bowman) have been discussed and used to interpret the experimental results.

Rota, R.; Morbidelli, M.; Carra, S. [Politecnico di Milano (Italy). Dipt. di Chimica Fisica Applicata] [Politecnico di Milano (Italy). Dipt. di Chimica Fisica Applicata

1998-11-01

111

Combustion performance and heat transfer characterization of LOX/hydrocarbon type propellants, volume 1  

NASA Technical Reports Server (NTRS)

A program to evaluate liquid oxygen and various hydrocarbon fuel as low cost alternative propellants suitable for future space transportation system applications is discussed. The emphasis of the program is directed toward low earth orbit maneuvering engine and reaction control engine systems. The feasibility of regeneratively cooling an orbit maneuvering thruster was analytically determined over a range of operating conditions from 100 to 1000 psia chamber pressure and 1000 to 10,000-1bF thrust, and specific design points were analyzed in detail for propane, methane, RP-1, ammonia, and ethanol; similar design point studies were performed for a filmcooled reaction control thruster. Heat transfer characteristics of propate were experimentally evaluated in heated tube tests. Forced convection heat transfer coefficients were determined over the range of fluid conditions encompassed by 450 to 1800 psia, -250 to +250 F, and 50 to 150 ft/sec, with wall temperatures from ambient to 1200 F. Seventy-seven hot firing tests were conducted with LOX/propane and LOC/ethanol, for a total duration of nearly 1400 seconds, using both heat sink and water-cooled calorimetric chambers.

Michel, R. W.

1983-01-01

112

Enols Are Common Intermediates in Hydrocarbon Oxidation  

NASA Astrophysics Data System (ADS)

Models for chemical mechanisms of hydrocarbon oxidation rely on spectrometric identification of molecular structures in flames. Carbonyl (keto) compounds are well-established combustion intermediates. However, their less-stable enol tautomers, bearing OH groups adjacent to carbon-carbon double bonds, are not included in standard models. We observed substantial quantities of two-, three-, and four-carbon enols by photoionization mass spectrometry of flames burning representative compounds from modern fuel blends. Concentration profiles demonstrate that enol flame chemistry cannot be accounted for purely by keto-enol tautomerization. Currently accepted hydrocarbon oxidation mechanisms will likely require revision to explain the formation and reactivity of these unexpected compounds.

Taatjes, Craig A.; Hansen, Nils; McIlroy, Andrew; Miller, James A.; Senosiain, Juan P.; Klippenstein, Stephen J.; Qi, Fei; Sheng, Liusi; Zhang, Yunwu; Cool, Terrill A.; Wang, Juan; Westmoreland, Phillip R.; Law, Matthew E.; Kasper, Tina; Kohse-Höinghaus, Katharina

2005-06-01

113

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

PubMed

Voyager 2 found that the Uranian magnetosphere has a substantial flux of energetic charged particles, which becomes rich in higher energies at low magnetospheric L near the orbit of Miranda. The electrons precipitate to produce aurorae, which have been observed in the ultraviolet. The more energetic component of the precipitating electrons can initiate radiation chemistry in the methane-poor stratosphere, near 0.1 mbar where the CH4 mole fraction XCH4 approximately equal to 10(-5). We present laboratory results for cold plasma (glow) discharge in continuous flow H2-He-CH4 atmospheres with mol fractions XCH4 = 10(-2) to 10(-3) and total pressure p = 60 to 0.6 mbar. The yields of simple hydrocarbons in these experiments and an estimate of precipitating electron flux consistent with the Voyager ultraviolet spectroscopy results indicate the globally averaged auroral processing rate of CH4 to higher hydrocarbons approximately equal to 3 x 10(6) C cm-2 s-1, comparable to the globally averaged photochemical production rate. The local rate approximately 2 x 10(8) C cm-2 s-1 in the auroral zones (approximately 20 degrees in diameter) at 15 degrees S and 45 degrees N latitude greatly exceeds the photochemical rate. Even at very low XCH4 approximately equal to 10(-3) the yield (summed over all products) G > approximately 10(-2) C/100 eV and the average slope alpha = > approximately -0.4, where the summation is over all product molecules of a given carbon number eta and the square brackets denote abundance. The yield therefore decreases slowly with molecular complexity: hydrocarbons through C7Hx should be present in auroral zones at abundances > approximately 10(-2) of the simplest C2 hydrocarbons. Saturated hydrocarbons (C2H6, C3H8, C4H10, etc.) are mostly shielded from photodissociation by C2H2 and will therefore persist at the sunlit, as well as the currently dark, magnetic polar regions. PMID:11542129

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

1987-12-30

114

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

E-print Network

Computationally-efficient and scalable parallel implementation of chemistry in simulations chemistry in parallel LES/PDF computations using in situ adaptive tabulation (ISAT) and x2f_mpi ­ a Fortran the strategies, we perform LES/PDF computations of the Sandia Flame D with chemistry rep- resented using (a) a 16

115

Fundamentals of Gas Turbine combustion  

NASA Technical Reports Server (NTRS)

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.

Gerstein, M.

1979-01-01

116

The effect of hydrocarbon chemistry on sputtering in mixed Be-C-H materials  

NASA Astrophysics Data System (ADS)

Molecular dynamics simulations of low energy sputtering from mixed Be-C surfaces have been performed to gain an insight into the evolution and response of plasma facing components in current and projected fusion devices. An analytical bond-order potential (ABOP) for the ternary Be-C-H system was used to model the interactions. It was found that the presence of carbon required a more advanced description including chemical effects between carbon and hydrogen. To facilitate this, a method was constructed which combines the Brenner hydrocarbon potential [1] and the Be-C-H ABOP. To our knowledge this constitutes the first implementation of a method capable of simultaneously describing chemical hydrocarbon interactions and metallic bonding in molecular dynamics simulations. This model, which gives a more realistic description of low energy ion-surface interactions in the presence of carbon impurities, can also be extended to other fusion relevant mixed systems such as W-C-H.

Meinander, A.; Björkas, C.; Nordlund, K.

2013-05-01

117

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

ERIC Educational Resources Information Center

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…

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

2006-01-01

118

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

SciTech Connect

This project involved the following objectives: 1. Determine black liquor drying and devolatilization elemental and total mass release rates and yields. 2. Develop a public domain physical/chemical kinetic model of black liquor drop combustion, including new information on drying and devolatilization. 3. Determine mechanisms and rates of sulfur scavenging in recover boilers. 4. Develop non-ideal, public-domain thermochemistry models for alkali salts appropriate for recovery boilers 5. Develop data and a one-dimensional model of a char bed in a recovery boiler. 6. Implement all of the above in comprehensive combustion code and validate effects on boiler performance. 7. Perform gasification modeling in support of INEL and commercial customers. The major accomplishments of this project corresponding to these objectives are as follows: 1. Original data for black liquor and biomass data demonstrate dependencies of particle reactions on particle size, liquor type, gas temperature, and gas composition. A comprehensive particle submodel and corresponding data developed during this project predicts particle drying (including both free and chemisorbed moisture), devolatilization, heterogeneous char oxidation, char-smelt reactions, and smelt oxidation. Data and model predictions agree, without adjustment of parameters, within their respective errors. The work performed under these tasks substantially exceeded the original objectives. 2. A separate model for sulfur scavenging and fume formation in a recovery boiler demonstrated strong dependence on both in-boiler mixing and chemistry. In particular, accurate fume particle size predictions, as determined from both laboratory and field measurements, depend on gas mixing effects in the boilers that lead to substantial particle agglomeration. Sulfur scavenging was quantitatively predicted while particle size required one empirical mixing factor to match data. 3. Condensed-phase thermochemistry algorithms were developed for salt mixtures and compared with sodium-based binary and higher order systems. Predictions and measurements were demonstrated for both salt systems and for some more complex silicate-bearing systems, substantially exceeding the original scope of this work. 4. A multi-dimensional model of char bed reactivity developed under this project demonstrated that essentially all reactions in char beds occur on or near the surface, with the internal portions of the bed being essentially inert. The model predicted composition, temperature, and velocity profiles in the bed and showed that air jet penetration is limited to the immediate vicinity of the char bed, with minimal impact on most of the bed. The modeling efforts substantially exceeded the original scope of this project. 5. Near the completion of this project, DOE withdrew the BYU portion of a multiparty agreement to complete this and additional work with no advanced warning, which compromised the integration of all of this material into a commercial computer code. However, substantial computer simulations of much of this work were initiated, but not completed. 6. The gasification modeling is nearly completed but was aborted near its completion according to a DOE redirection of funds. This affected both this and the previous tasks.

Baxter, Larry L.

2008-06-09

119

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

NASA Astrophysics Data System (ADS)

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

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

120

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

SciTech Connect

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

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

1987-01-01

121

Constraints on emissions of hydrocarbons and combustion tracers in the Colorado Front Range using observations of 14CO2 at the Boulder Atmospheric Observatory (BAO)  

NASA Astrophysics Data System (ADS)

Bottom-up inventories of trace gases formed as a byproduct of fossil fuel combustion have significant uncertainty associated with them because of the difficulty in quantifying the relationship between the mass of fuel consumed and the mass emitted; this is in contrast to the near stoichiometric production of CO2 from the combustion of hydrocarbons. Emissions of species such as CO, CH4, acetylene, and benzene depend greatly on a number of variables including fuel type, combustion temperature, oxidant-to-fuel ratio, and post-combustion tail-pipe or flue-stack "scrubbing". Given the impact of many of these combustion by-products on air quality, human health, and climate, atmospheric observations are necessary in order to critically evaluate bottom-up emissions estimates. Atmospheric radiocarbon (14C) represents an important observational constraint on emissions of fossil-fuel derived carbon into the atmosphere due to the near absence of 14C in fossil fuel reservoirs. The high sensitivity and precision that accelerator mass spectrometry (AMS) affords in atmospheric 14C analysis has greatly increased the potential for using such measurements to verify bottom-up emissions inventories of fossil fuel CO2 (CO2ff), as well as other co-emitted species. Here we use observations of 14CO2 and a series of hydrocarbons and combustion tracers from the Boulder Atmospheric Observatory (BAO; Lat: 40.050o, Lon: -105.004o) to derive emission ratios of each species to CO2. From these emission ratios, we estimate absolute emission fluxes of these species by using an existing CO2ff inventory. Among the species considered are CO, CH4, acetylene (C2H2), benzene (C6H6), and C3-C5 alkanes. Comparisons of top-down emissions estimates are made to existing inventories of these species for the region, where available, as well as to previous efforts to estimate emissions from atmospheric observations in the Colorado Front Range.We find that CO is overestimated in the NEI 2008 by a factor of ~2; a close evaluation of the inventory suggests that the CO emissions per unit fuel burned from on-road gasoline vehicles is likely significantly over-estimated. Emissions estimates of CH4 and the C3-C5 alkanes from gas and oil drilling and processing operations to the north and east of the BAO tower are in good agreement with previous top-down estimates for the region.

LaFranchi, B. W.; Petron, G.; Miller, J. B.; Lehman, S. J.; Andrews, A. E.; Dlugokencky, E. J.; Miller, B. R.; Montzka, S. A.; Turnbull, J. C.; Tans, P. P.; Guilderson, T. P.

2011-12-01

122

Terascale High-Fidelity Simulations of Turbulent Combustion with Detailed Chemistry  

SciTech Connect

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

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

2012-08-13

123

Terascale High-Fidelity Simulations of Turbulent Combustion with Detailed Chemistry  

SciTech Connect

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

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

2009-02-02

124

Oxidation chemistry of cyclic hydrocarbons in a motored engine: Methylcyclopentane, tetralin, and decalin  

SciTech Connect

This work, which parallels a recent study of cyclohexane and methylcyclohexane by the authors, concerns the oxidation chemistry of methylcyclopentane (MCP), 1,2,3,4-tetrahydronaphthalene (tetralin), and decahydronaphthalene (decalin) in a motored engine at low to intermediate temperatures. The experiment is conducted with variable compression ratio from 4 to 15 at equivalence ratio of 0.25 and fixed intake temperature. Results show dramatically different reactivity in low temperature oxidation for the three compounds. MCP and tetralin show little low temperature reaction prior to autoignition, while decalin shows significant low temperature reactivity. Detailed product analysis showed that conjugate olefins, the olefin having the identical structure with the reactant except the only C=C bond, account for over 70% of the products from MCP and an even higher percentage of the products from tetralin. Tetralin oxidation under the present conditions is essentially oxidative dehydrogenation with little oxygenated cyclic compound being formed. Hydronaphthalenes with various degrees of unsaturation are detected in the products from decalin, but are not as prevalent as in the case of MCP and tetralin, because of the high selectivity toward low temperature chain branching. The ring-opening paths in decalin oxidation are discussed, suggesting that breaking the common C-C bond of the two rings is more likely than opening the two rings one after the other. Methyl substitution on the ring was found to significantly promote the formation of propene relative to ethene. Reaction mechanisms are proposed to explain the major products formed from each compound. (author)

Yang, Yi; Boehman, Andre L. [EMS Energy Institute, The Pennsylvania State University, University Park, PA 16802 (United States)

2010-03-15

125

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

Microsoft Academic Search

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

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

2009-01-01

126

On the effects of hydrocarbon and sulphur-containing compounds on the CCN activation of combustion particles  

NASA Astrophysics Data System (ADS)

The European PartEmis project (''Measurement and prediction of emissions of aerosols and gaseous precursors from gas turbine engines'') was focussed on the characterisation and quantification of exhaust emissions from a gas turbine engine. A comprehensive suite of aerosol, gas and chemi-ion measurements were conducted under different combustor operating conditions and fuel sulphur concentrations. Combustion aerosol characterisation included on-line measurements of mass and number concentration, size distribution, mixing state, thermal stability of internally mixed particles, hygroscopicity, cloud condensation nuclei (CCN) activation potential, and off-line analysis of chemical composition. Modelling of CCN activation of combustion particles was conducted using microphysical and chemical properties obtained from the measurements as input data. Based on this unique data set, the role of sulphuric acid coatings on the combustion particles, formed in the cooling exhaust plume through either direct condensation of gaseous sulphuric acid or coagulation with volatile condensation particles nucleating from gaseous sulphuric acid, and the role of the organic fraction for the CCN activation of combustion particles was investigated. It was found that particles containing a large fraction of non-volatile organic compounds grow significantly less at high relative humidity than particles with a lower content of non-volatile OC. Also the effect of the non-volatile OC fraction on the potential CCN activation is significant. While a coating of water-soluble sulphuric acid increases the potential CCN activation, or lowers the activation diameter, respectively, the non-volatile organic compounds, mainly found at lower combustion temperatures, can partially compensate this sulphuric acid-related enhancement of CCN activation of carbonaceous combustion aerosol particles.

Petzold, A.; Gysel, M.; Vancassel, X.; Hitzenberger, R.; Puxbaum, H.; Vrochticky, S.; Weingartner, E.; Baltensperger, U.; Mirabel, P.

2005-05-01

127

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

Microsoft Academic Search

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

W. Tsang; R. F. Hampson

1986-01-01

128

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

Microsoft Academic Search

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

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

2008-01-01

129

Chemistry  

NSDL National Science Digital Library

Finds ChemEd DL resources related to the sections of the General Chemistry textbook, Chemistry, by Kenneth W. Whitten, Raymond E. Davis, M. Larry Peck, George G. Stanley published by Brooks/Cole, 2010.

130

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

NASA Technical Reports Server (NTRS)

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

Radhakrishnan, K.

1984-01-01

131

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

NASA Technical Reports Server (NTRS)

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.

Tyree, S. Y., Jr.

1975-01-01

132

Multigrid Method for Modeling Multi-Dimensional Combustion with Detailed Chemistry  

NASA Technical Reports Server (NTRS)

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

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

1996-01-01

133

Evaluation of joint probability density function models for turbulent nonpremixed combustion with complex chemistry  

NASA Technical Reports Server (NTRS)

Two types of mixing sub-models are evaluated in connection with a joint-scalar probability density function method for turbulent nonpremixed combustion. Model calculations are made and compared to simulation results for homogeneously distributed methane-air reaction zones mixing and reacting in decaying turbulence within a two-dimensional enclosed domain. The comparison is arranged to ensure that both the simulation and model calculations a) make use of exactly the same chemical mechanism, b) do not involve non-unity Lewis number transport of species, and c) are free from radiation loss. The modified Curl mixing sub-model was found to provide superior predictive accuracy over the simple relaxation-to-mean submodel in the case studied. Accuracy to within 10-20% was found for global means of major species and temperature; however, nitric oxide prediction accuracy was lower and highly dependent on the choice of mixing sub-model. Both mixing submodels were found to produce non-physical mixing behavior for mixture fractions removed from the immediate reaction zone. A suggestion for a further modified Curl mixing sub-model is made in connection with earlier work done in the field.

Smith, N. S. A.; Frolov, S. M.; Bowman, C. T.

1996-01-01

134

Contribution of wood combustion to indoor air pollution as measured by mutagenicity in Salmonella and polycyclic aromatic hydrocarbon concentration.  

PubMed

Samples of airborne particles have been collected in the same room when the room was heated by electricity and when heating was done by woodburning. These samples were compared with respect to mutagenic activity and concentration of polycyclic aromatic hydrocarbons (PAH). The effects of the various heating conditions were examined in the presence and absence of tobacco smoking. Whereas wood heating in an "airtight" stove was found to cause only minor changes in the concentration of PAH and no measurable increase of mutagenic activity of the indoor air, both these parameters increased considerably when wood was burned in an open fireplace, yielding PAH concentrations comparable to those of ambient urban air. Relatively high concentrations of moderately polar polycyclic aromatic hydrocarbon derivatives were also found in the indoor air when wood was burned in an open fireplace. Woodburning in the closed stove did, however, result in increased concentrations of mutagenic compounds and PAH on particles sampled in the vicinity of the house. The effects of wood burning in an open fireplace on the mutagenic activity of indoor air could still be considered moderate when compared to those resulting from tobacco smoking in the room. The extracts of particles collected when moderate smoking occurred were several times more mutagenic than samples from urban air collected close to streets with heavy traffic when measured in the Salmonella assay with strain TA98 with metabolic activation. PMID:6368216

Alfheim, I; Ramdahl, T

1984-01-01

135

Chemistry Notes.  

ERIC Educational Resources Information Center

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…

School Science Review, 1982

1982-01-01

136

Combustion Modeling in Internal Combustion Engines  

Microsoft Academic Search

The fundamental assumptions of the Blizard and Keck combustion model for internal combustion engines are examined and a generalization of that model is derived. The most significant feature of the model is that it permits the occurrence of unburned hydrocarbons in the thermodynamic-kinetic modeling of exhaust gases. The general formulas are evaluated in two specific cases that are likely to

FRANK J. ZELEZNIK

1976-01-01

137

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

PubMed Central

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 pellet burners. PMID:22568759

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

138

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

PubMed

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

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

2012-06-01

139

Fuel for internal combustion engines  

SciTech Connect

A fuel for internal combustion engines is composed of a mixture of alcohol and gasoline in which the alcohol content is 70 to 85 volume % and the gasoline consists essentially of aromatic, alkanic and cycloalkanic hydrocarbons and, optionally, olefinic hydrocarbons the hydrocarbons having 3-11 carbon atoms, the aromatic hydrocarbons constituting 35 to 45 weight % of the gasoline and the aromatic and any olefinic hydrocarbons constituting cumulatively 35 to 60 weight % of the gasoline.

Ema, S.; Ogasawara, N.; Tsuzuki, K.

1981-07-21

140

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

PubMed Central

Emission factors (EFs) of parent polycyclic aromatic (pPAHs), nitrated PAHs (nPAHs), and oxygenated PAHs (oPAHs) were measured for indoor corn straw burned in a cooking brick stove in both normal and controlled burning conditions. EFs of total 28 pPAHs, 6 nPAHs and 4 oPAHs were 7.9±3.4, 6.5±1.6×10-3, and 6.1±1.4×10-1 mg/kg, respectively. By controlling the burning conditions, it was found that the influence of fuel charge size on EFs of the pPAHs and derivatives was insignificant. Measured EFs increased significantly in a fast burning mainly because of the oxygen deficient atmosphere formed in the stove chamber with a small volume. In both restricted and enhance air supply conditions, EFs of pPAHs, nPAHs and oPAHs were significantly higher than those measured in normal burning conditions. Though EFs varied in different burning conditions, the composition profiles and calculated isomer ratios were similar without significant differences. The results from the stepwise regression model showed that fuel burning rate, air supply amount, and modified combustion efficiency were three most significant influencing factors, explaining 72-85% of the total variations. PMID:24494494

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

2014-01-01

141

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

Microsoft Academic Search

Recent work has shown that natural hydrocarbon emissions can significantly affect the levels of urban and regional tropospheric ozone. We report on the reactivities of these biogenic trace gases, particularly, isoprene, focusing on their importance in the production of aldehydes and peroxy radicals, leading to increased levels of hydrogen over regional forests. Hydrogen peroxide can lead to the wet oxidation

J. S. Gaffney; N. A. Marley

1993-01-01

142

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

SciTech Connect

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

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

2013-01-01

143

Structure and chemistry of a new chemical race of Botryococcus braunii (chlorophyceae) that produces lycopadiene, a tetraterpenoid hydrocarbon  

SciTech Connect

New strains of the hydrocarbon rich alga Botryococcus braunii Kuetzing were isolated from water samples collected in three tropical freshwater lakes. These strains synthesize lycopadiene, a tetraterpenoid metabolite, as their sole hydrocarbon. The morphological and ultrastructural characteristics of these algae are similar to those reported for previously described strains which produce either alkadienes or botryococcenes. The pyriform shaped cells are embedded in a colonial matrix formed by layers of closely appressed external walls; this dense matrix is impregnated by the hydrocarbon and some other lipids. We believe the new strains synthesizing lycopadiene form a third chemical race in B. braunii, besides the alkadiene and botryococcene races, rather than a different species. Like the other two types of hydrocarbons, lycopadiene was produced primarily during the exponential and linear growth phases. The major fatty acid in the three races was oleic acid. This fatty acid was predominant in the alkadiene race; palmitic and octacosenoic acid also were present in appreciable amounts in the three races. Cholest-5-en-3{beta}-ol, 24-methylcholest-5-en-3{beta}-ol and 24-ethylcholest-5-en-3{beta}-ol occurred in the three races; three unidentified sterols also were detected in the lycopadiene race. Moreover, the presence of very long chain alkenyl-phenols in the lipids of algae of the alkadiene race was not observed in the botryococcene and lycopadiene races. Of the polysaccharides released in the medium, galactose appeared as a primary component: it predominated in the botryococcene race. The other major constituents were fucose for the alkadiene race and glucose and fucose for the lycopadiene race.

Metzger, P.; Allard, B.; Casadevall, E. (UA CNRS, Paris (France)); Berkaloff, C.; Coute, A. (LA CNRS, Paris (France))

1990-06-01

144

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

Microsoft Academic Search

High-energy photons present in concentrated sunlight can be used to photolytically dissociate certain vapor-phase compounds known to be sources of free radicals. These free radicals can subsequently initiate or influence pyrolysis reactions involving hydrocarbons. Experiments were conducted in a vapor-phase, tubular flow reactor placed at the focus of a 1-kW arc image furnace, which acted as a source of simulated

Maninder Singh Hunjan; William Shu Lai Mok; Michael Jerry Antal

1989-01-01

145

Sandia Combustion Research: Technical review  

SciTech Connect

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

NONE

1995-07-01

146

Effects of Water Vapor and CO2 Addition on Combustion Characteristics for Lean Hydrocarbon-Air Mixtures under Normal and Microgravity Conditions  

Microsoft Academic Search

Experiments on combustion of extremely lean mixtures in the vicinity of flammability limits have acquired importance from the viewpoint of development of new kinds of combustion systems having low fuel consumption and low emissions. Furthermore, the determination of combustion characteristics for vapor addition under normal gravity and microgravity is very important for control of safety engineering in the space. In

Y. SHIBATA; T. KAWAKAMI; A. TEODORCZYK

147

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

PubMed

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

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

148

Tripropellant combustion process  

NASA Technical Reports Server (NTRS)

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.

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

1988-01-01

149

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

ERIC Educational Resources Information Center

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

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

2007-01-01

150

Chemistry  

NSDL National Science Digital Library

These sites willhelp you gain greater understanding of Chemistry! Weather is also available Three areas to be on the test. STUDY HARD!!!! Equations Types of Equations Types of Equations text/htmlMichigan Teacher Network Matter Density of solids Density of solids text/htmlICSD ScienceZone Metals Kidneys and Metals Problem Set Kidneys and Metals Problem Set image/tiffCenter for Digital Curriculum Research POTENTIAL SURROGATE METALS FOR INCINERATOR TRIAL BURNS POTENTIAL SURROGATE METALS FOR INCINERATOR TRIAL BURNS text/html Let it snow Interactive Weather Maker Interactive Weather Maker urlexample ...

Riley

2006-04-22

151

Forensic Chemistry  

NASA Astrophysics Data System (ADS)

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.

Bell, Suzanne

2009-07-01

152

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

NASA Technical Reports Server (NTRS)

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

Otugen, M. Volkan

1997-01-01

153

Chemical-looping combustion – a thermodynamic study  

Microsoft Academic Search

The poor performance of internal combustion (IC) engines can be attributed to the departure from equilibrium in the combustion process. This departure is expressed numerically, as the difference between the working fluid's temperature and an ideal 'combustion tempera- ture', calculated using a simple expression. It is shown that for combustion of hydrocarbons to be performed reversibly in a single reaction,

N R McGlashan

2008-01-01

154

Combustion modeling in internal combustion engines  

NASA Technical Reports Server (NTRS)

The fundamental assumptions of the Blizard and Keck combustion model for internal combustion engines are examined and a generalization of that model is derived. The most significant feature of the model is that it permits the occurrence of unburned hydrocarbons in the thermodynamic-kinetic modeling of exhaust gases. The general formulas are evaluated in two specific cases that are likely to be significant in the applications of the model.

Zeleznik, F. J.

1976-01-01

155

Igniting Chemistry in Fireworks  

NSDL National Science Digital Library

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

Foundation, Wgbh E.

2004-01-29

156

High Temperature Chemical Kinetic Combustion Modeling of Lightly Methylated Alkanes  

SciTech Connect

Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed high temperature chemical kinetic mechanism for n-octane and three lightly branched isomers octane (i.e., 2-methylheptane, 3-methylheptane, and 2,5-dimethylhexane). The model is validated against experimental data from a variety of fundamental combustion devices. This new model is used to show how the location and number of methyl branches affects fuel reactivity including laminar flame speed and species formation.

Sarathy, S M; Westbrook, C K; Pitz, W J; Mehl, M

2011-03-01

157

Chemistry Impacts in Gasoline HCCI  

SciTech Connect

The use of homogeneous charge compression ignition (HCCI) combustion in internal combustion engines is of interest because it has the potential to produce low oxides of nitrogen (NOx) and particulate matter (PM) emissions while providing diesel-like efficiency. In HCCI combustion, a premixed charge of fuel and air auto-ignites at multiple points in the cylinder near top dead center (TDC), resulting in rapid combustion with very little flame propagation. In order to prevent excessive knocking during HCCI combustion, it must take place in a dilute environment, resulting from either operating fuel lean or providing high levels of either internal or external exhaust gas recirculation (EGR). Operating the engine in a dilute environment can substantially reduce the pumping losses, thus providing the main efficiency advantage compared to spark-ignition (SI) engines. Low NOx and PM emissions have been reported by virtually all researchers for operation under HCCI conditions. The precise emissions can vary depending on how well mixed the intake charge is, the fuel used, and the phasing of the HCCI combustion event; but it is common for there to be no measurable PM emissions and NOx emissions <10 ppm. Much of the early HCCI work was done on 2-stroke engines, and in these studies the CO and hydrocarbon emissions were reported to decrease [1]. However, in modern 4-stroke engines, the CO and hydrocarbon emissions from HCCI usually represent a marked increase compared with conventional SI combustion. This literature review does not report on HCCI emissions because the trends mentioned above are well established in the literature. The main focus of this literature review is the auto-ignition performance of gasoline-type fuels. It follows that this discussion relies heavily on the extensive information available about gasoline auto-ignition from studying knock in SI engines. Section 2 discusses hydrocarbon auto-ignition, the octane number scale, the chemistry behind it, its shortcomings, and its relevance to HCCI. Section 3 discusses the effects of fuel volatility on fuel and air mixing and the consequences it has on HCCI. The effects of alcohol fuels on HCCI performance, and specifically the effects that they have on the operable speed/load range, are reviewed in Section 4. Finally, conclusions are drawn in Section 5.

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

2006-09-01

158

POLYCYCLIC AROMATIC HYDROCARBON (PAH) SIZE DISTRIBUTIONS IN AEROSOLS FROM APPLIANCES OF RESIDENTIAL WOOD COMBUSTION AS DETERMINED BY DIRECT THERMAL DESORPTION - GC/MS  

EPA Science Inventory

The paper describesd a direct thermal desorption (TDS) approach to determine the PAH composition (MW = 202-302 amu) in size-segregated aerosols from residential wood combustion (RWC). Six combustion tests are performed with two highly available wood fuel varieties, Douglas-fir (P...

159

FUNDAMENTAL COMBUSTION RESEARCH APPLIED TO POLLUTION FORMATION. VOLUME 1. FCR PROGRAM OVERVIEW AND GAS-PHASE CHEMISTRY  

EPA Science Inventory

The report is the first in a series of four, documenting research performed under EPA's Fundamental Combustion Research (FCR) program. It is divided in two: Part A is a program overview and an introduction to the series; and Part B documents research performed in the gas-phase ch...

160

Homogeneous chemistry of NO\\/sub x\\/ production and removal from fossil fuel combustion gases. Final technical report  

Microsoft Academic Search

The reduction of NO\\/sub x\\/ emissions from stationary combustion sources by non-catalytic homogeneous chemical addition is a promising technique. Demonstrations in laboratory experiments and on a number of field scale combustors have shown that the addition of ammonia to the exhaust flow significantly reduces the NO concentrations in a narrow temperature range. This report summarizes the work performed to understand

J. A. Silver; C. M. Gozewski; C. E. Kolb

1980-01-01

161

QUANTITATIVE ANALYSIS OF POLYNUCLEAR AROMATIC HYDROCARBONS IN LIQUID FUELS  

EPA Science Inventory

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

162

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

NASA Astrophysics Data System (ADS)

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

?iri?, Vladimir; Manojlovi?, Maja; Beli?, Milivoj; Neši?, Ljiljana; Švarc-Gaji?, Jaroslava; Sitaula, Bishal K.

2014-05-01

163

Enhancements of a Combustion Vessel to Determine Laminar Flame Speeds of Hydrocarbon Blends with Helium Dilution at Elevated Temperatures and Pressures  

E-print Network

speeds were those of methane, ethane, and propane fuel blends, as well as pure methane, at an elevated pressure of 5 atm and temperatures of 298 and 473 K, using a constant-volume, cylindrical combustion vessel. The current Aramco mechanism developed...

Plichta, Drew

2013-04-03

164

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

SciTech Connect

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

Dryer, F.L.; Brezinsky, K.

1990-09-01

165

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

PubMed

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

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

2014-03-01

166

The History of Chemistry. The Case of the Supposed Isomerism of the Hydrocarbon Ethane in the Construction of Knowledge: Implications for Chemical Education.  

ERIC Educational Resources Information Center

Contends that chemical education proposals for changing the conception of chemistry literacy should include making explicit the relationship between chemistry as science and chemistry as technology. Illustrates the importance of distinguishing between scientific and technological activities by explaining the events and processes that are…

Cross, Roger T.; Price, Ronald F.

2001-01-01

167

Numerical study of premixed HCCI engine combustion and its sensitivity to computational mesh and model uncertainties  

NASA Astrophysics Data System (ADS)

This study used a numerical model to investigate the combustion process in a premixed iso-octane homogeneous charge compression ignition (HCCI) engine. The engine was a supercharged Cummins C engine operated under HCCI conditions. The CHEMKIN code was implemented into an updated KIVA-3V code so that the combustion could be modelled using detailed chemistry in the context of engine CFD simulations. The model was able to accurately simulate the ignition timing and combustion phasing for various engine conditions. The unburned hydrocarbon emissions were also well predicted while the carbon monoxide emissions were under predicted. Model results showed that the majority of unburned hydrocarbon is located in the piston-ring crevice region and the carbon monoxide resides in the vicinity of the cylinder walls. A sensitivity study of the computational grid resolution indicated that the combustion predictions were relatively insensitive to the grid density. However, the piston-ring crevice region needed to be simulated with high resolution to obtain accurate emissions predictions. The model results also indicated that HCCI combustion and emissions are very sensitive to the initial mixture temperature. The computations also show that the carbon monoxide emissions prediction can be significantly improved by modifying a key oxidation reaction rate constant.

Kong, Song-Charng; Reitz, Rolf D.

2003-06-01

168

Fuel property effects on engine combustion processes. Final report  

SciTech Connect

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

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

1995-04-27

169

Characterisation of polycyclic aromatic hydrocarbons in flue gas and residues of a full scale fluidized bed combustor combusting non-hazardous industrial waste.  

PubMed

This paper studies the fate of PAHs in full scale incinerators by analysing the concentration of the 16 EPA-PAHs in both the input waste and all the outputs of a full scale Fluidized Bed Combustor (FBC). Of the analysed waste inputs i.e. Waste Water Treatment (WWT) sludge, Refuse Derived Fuel (RDF) and Automotive Shredder Residue (ASR), RDF and ASR were the main PAH sources, with phenanthrene, fluoranthene and pyrene being the most important PAHs. In the flue gas sampled at the stack, naphthalene was the only predominant PAH, indicating that the PAHs in FBC's combustion gas were newly formed and did not remain from the input waste. Of the other outputs, the boiler and fly ash contained no detectable levels of PAHs, whereas the flue gas cleaning residue contained only low concentrations of naphthalene, probably adsorbed from the flue gas. The PAH fingerprint of the bottom ash corresponded rather well to the PAH fingerprint of the RDF and ASR, indicating that the PAHs in this output, in contrast to the other outputs, were mainly remainders from the PAHs in the waste inputs. A PAH mass balance showed that the total PAH input/output ratio of the FBC ranged from about 100 to about 2600 depending on the waste input composition and the obtained combustion conditions. In all cases, the FBC was clearly a net PAH sink. PMID:25002370

Van Caneghem, J; Vandecasteele, C

2014-11-01

170

Materials problems in fluidized-bed-combustion and coal-gasification systems: further studies of corrosion chemistry in low-oxygen activity atmospheres. Final report  

SciTech Connect

This report presents the results of additional studies on corrosion chemistry in low-oxygen activity atmospheres that are characteristic of gasified or incompletely combusted coal. The objective of the work was to identify those factors in alloy composition and structure and in gas composition and temperature that govern both the formation and eventual breakdown of protective-oxide scales in low-P/sub O//sub 2// to high-P/sub S//sub 2// atmospheres. It was found that protective chromic-oxide scales of uniform composition and structure formed only on cold-worked or ultrafine grain surfaces of alloys containing >1% Fe or Mn. Breakdown or failure of normally protective chromic-oxide scales was studied as a function of alloy composition (Fe, Ni, Co, Mn, Cr) and atmosphere conditions (P/sub O//sub 2//, P/sub S//sub 2// temperature). The most protective scales were those formed on Ni-Cr alloys low in Fe and Mn (<1%). These scales failed eventually by mechanical breakdown; i.e., cracking or spalling. The least-protective scales were those formed on alloys containing Fe and Mn. Internal sulfidation did not appear to be a major factor in breakaway sulfidation of alloys. Chromic-oxide scales formed in the absence of sulfur were found to be excellent barriers to the inward transport of sulfur. It is concluded that the best alloys for resisting sulfidation in these atmospheres are Ni or Co-Ni based with 30 to 50% Cr and <0.1% Fe and Mn. Yttrium or rare earths should be added to reduce the rate of oxide growth and to retard failure by oxide cracking or spalling.

Perkins, R.A.; Coons, W.C.; Vonk, S.J.

1982-06-01

171

Detection of Polycyclic Aromatic Hydrocarbons (PAHs) in Human Breast Milk  

Microsoft Academic Search

Exposure to polycyclic aromatic hydrocarbons can result from numerous sources including dietary as well as environmental. Exposure to polycyclic aromatic hydrocarbons has been well-established through combustion sources, particularly coal-fired power plants, automobile and diesel exhaust emissions, and the burning of fossil fuels. In addition, exposure to polycyclic aromatic hydrocarbons occurs through the intake of tobacco smoke, both mainstream and sidestream,

S. Hunter; S. Myers; P. Radmacher; C. Eno

2010-01-01

172

A Study of Cavitation-Ignition Bubble Combustion  

NASA Technical Reports Server (NTRS)

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.

Nguyen, Quang-Viet; Jacqmin, David A.

2005-01-01

173

Synthetic fuel aromaticity and staged combustion  

SciTech Connect

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

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

1982-11-15

174

Spectral optimization and uncertainty quantification in combustion modeling  

NASA Astrophysics Data System (ADS)

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

Sheen, David Allan

175

Probing flame chemistry with MBMS, theory, and modeling  

SciTech Connect

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

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

1993-12-01

176

New technique for calibrating hydrocarbon gas flowmeters  

NASA Technical Reports Server (NTRS)

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.

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

1984-01-01

177

Nox reduction system utilizing pulsed hydrocarbon injection  

DOEpatents

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.

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

2001-01-01

178

Chemistry of the natural atmosphere  

Microsoft Academic Search

The fundamental principles of atmospheric chemistry are examined in a textbook for graduate science students. Topics addressed include the bulk composition, structure, and dynamics of the atmosphere; photochemical processes and elementary reactions; the chemistry of the stratosphere; tropospheric chemistry and the methane oxidation cycle; and ozone in the troposphere. Consideration is given to volatile hydrocarbons and halocarbons, the atmospheric aerosol,

Peter Warneck

1988-01-01

179

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

SciTech Connect

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

Westbrook, Charles K.; Pitz, William J.; Herbinet, Olivier; Silke, Emma J. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Curran, Henry J. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); University College of Ireland, Galway (Ireland)

2009-01-15

180

Resonance ionization detection of combustion radicals  

SciTech Connect

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

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

1993-12-01

181

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

E-print Network

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

Long, Marshall B.

182

Radiation Chemistry  

NASA Astrophysics Data System (ADS)

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

Wojnárovits, L.

183

Organometallic chemistry of metal surfaces  

SciTech Connect

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

Muetterties, E.L.

1981-06-01

184

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

PubMed

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

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

185

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

SciTech Connect

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

Grout, Ray W [ORNL

2012-01-01

186

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

SciTech Connect

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

Sankaran, R.; Grout, R.

2012-01-01

187

Pollutant Emissions from Gasoline Combustion. 1. Dependence on Fuel  

E-print Network

-paraffins number: n for paraffins. A number of studies have been published concerning the combustion chemistry of paraffinic gasoline mechanism based on the chemistry of n-heptane and isooctanesthe two indicator fuels for octane

Utah, University of

188

Hydrocarbon-enhanced particulate filter regeneration via microwave ignition  

DOEpatents

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.

Gonze, Eugene V. (Pinckney, MI); Brown, David B. (Brighton, MI)

2010-02-02

189

HC quench layer formation in combustion processes. Technical progress report, January-April 1980  

SciTech Connect

The project is aimed at understanding wall quenching and other processes responsible for surface generated hydrocarbons in combustion under engine-like conditions. The study concerns the effects of turbulence on the evolution of hydrocarbons. At the conclusion of the program, significant new experimental information will have been generated and an analytical model of the fluid mechanics and some aspects of the chemistry of quenching will be formulated. The work is divided into three tasks: (1) combustion bomb experiments to measure the effect of turbulence on the chemical species near the cold surface; (2) combustion bomb experiments using a similar turbulence generating device, to fully characterize the flow and turbulence in the vicinity of the quenching surface; and (3) an analytical study to characterize fluid mechanical scales of interest in the boundary layer and to find an analytical solution to describe the evolution of the layer. Significant areas of progress during the reporting period are: (1) the sampling valve data obtained previously in the Ford spherical bomb under quiescent firing conditions have been analyzed and interpreted; (2) the solenoid-operated charging system has been set up to generate turbulence in the bomb, and the inlet flow has been characterized in terms of pressure, velocity, turbulence, and temperature histories; and (3) an analysis leading to a simplified model for the turbulent quench layer has been obtained.

Lavoie, G A

1980-06-01

190

Combustion noise  

NASA Technical Reports Server (NTRS)

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

Strahle, W. C.

1977-01-01

191

ENVIRONMENTAL CARCINOGENIC POLYCYCLIC AROMATIC HYDROCARBONS: PHOTOCHEMISTRY AND PHOTOTOXICITY  

Microsoft Academic Search

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

Hongtao Yu

2002-01-01

192

147Chemistry Chemistry (Chem)  

E-print Network

147Chemistry Chemistry (Chem) Bayly Foundation PROFESSORS FRANCE, PLEVA ASSOCIATE PROFESSORS ALty A student may complete only one of the majors listed in the Department of Chemistry. The major in chemistry leading to a Bachelor of Arts degree requires completion of 44 credits as follows: 1. Chemistry 111, 112

Dresden, Gregory

193

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

SciTech Connect

Fuel injection into the negative valve overlap (NVO) period is a common method for controlling combustion phasing in homogeneous charge compression ignition (HCCI) as well as other forms of advanced combustion. During this event, at least a portion of the fuel hydrocarbons can be converted to products containing significant levels of H2 and CO, as well as other short chain hydrocarbons by means of thermal cracking, water-gas shift, and partial oxidation reactions, depending on the availability of oxygen and the time-temperature-pressure history. The resulting products alter the autoignition properties of the combined fuel mixture for HCCI. Fuel-rich chemistry in a partial oxidation environment is also relevant to other high efficiency engine concepts (e.g., the dedicated EGR (D-EGR) concept from SWRI). In this study, we used a unique 6-stroke engine cycle to experimentally investigate the chemistry of a range of fuels injected during NVO under low oxygen conditions. Fuels investigated included iso-octane, iso-butanol, ethanol, and methanol. Products from NVO chemistry were highly dependent on fuel type and injection timing, with iso-octane producing less than 1.5% hydrogen and methanol producing more than 8%. We compare the experimental trends with CHEMKIN (single zone, 0-D model) predictions using multiple kinetic mechanisms available in the current literature. Our primary conclusion is that the kinetic mechanisms investigated are unable to accurately predict the magnitude and trends of major species we observed.

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

2013-01-01

194

Combustion engine. [for air pollution control  

NASA Technical Reports Server (NTRS)

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.

Houseman, J. (inventor)

1977-01-01

195

Kinetic data base for combustion modeling  

SciTech Connect

The aim of this work is to develop a set of evaluated rate constants for use in the simulation of hydrocarbon combustion. The approach has been to begin with the small molecules and then introduce larger species with the various structural elements that can be found in all hydrocarbon fuels and decomposition products. Currently, the data base contains most of the species present in combustion systems with up to four carbon atoms. Thus, practically all the structural grouping found in aliphatic compounds have now been captured. The direction of future work is the addition of aromatic compounds to the data base.

Tsang, W.; Herron, J.T. [National Institute of Standards and Technology, Gaithersburg, MD (United States)

1993-12-01

196

Chemistry 321 Organic Chemistry  

E-print Network

Chemistry 321 Organic Chemistry Fall 2010 MWF 1:00-2:00 Reichardt Bldg 202 Instructor: Thomas Dept.) Office Hours: By appointment Required Materials: Organic Chemistry 7th Ed., J. McMurry, Brooks of Organic Chemistry 7th Ed. by John McMurry. The course will focus on the bonding, stability, and shapes

Wagner, Diane

197

CHEMISTRY 11500 General Chemistry  

E-print Network

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

Jiang, Wen

198

Probing flame chemistry with MBMS, theory, and modeling  

SciTech Connect

The program objective is to establish kinetics of combustion and molecular weight growth in C{sub 3} hydrocarbon flames as part of an ongoing study of flame chemistry. Specific reactions to be studies are (1) the oxidation reactions of O and OH with C{sub 3}'s and (2) the growth reactions of C{sub 3}H{sub 5} and C{sub 3}H{sub 3} with themselves and with unsaturated hydrocarbons. Our approach combines molecular-beam mass spectroscopy (MBMS) experiments which give concentrations of stable species and free radicals in low-pressure flat flames; theoretical predictions of rate constants by thermochemical kinetics, Biomedical Quantum-RRK, RRKM, and master- equation theory; and whole-flame modeling using full mechanisms of elementary reactions. Detailed MBMS flame data are the principal results of the first nine months of the grant. Spatial profiles of temperature, area expansion ratio, and mole fraction have been mapped in two low-pressure flat flames, one fuel-lean ({phi} = 0.229) and the other fuel-rich ({phi} = 1.64) in propene/oxygen/argon. Species identities and trends suggest certain chemical pathways, but reaction theory and flame modeling are beginning to provide specific, quantitative insights into oxidation and growth chemistry. 5 refs., 23 figs., 1 tab.

Westmoreland, P.R.

1992-03-01

199

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

NASA Astrophysics Data System (ADS)

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

Klingbeil, Adam Edgar

200

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

SciTech Connect

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

Oyeyemi, Victor B. [Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544 (United States)] [Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544 (United States); Krisiloff, David B. [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States)] [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Keith, John A.; Libisch, Florian [Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey 08544 (United States)] [Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey 08544 (United States); Pavone, Michele [Department of Chemical Sciences, University of Napoli Federico II, Napoli 80120 (Italy)] [Department of Chemical Sciences, University of Napoli Federico II, Napoli 80120 (Italy); Carter, Emily A., E-mail: eac@princeton.edu [Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey 08544 (United States); Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544 (United States); Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544 (United States)

2014-01-28

201

Plasma Chemical Aspects Of Dust Formation In Hydrocarbon Plasmas  

SciTech Connect

This contribution deals with some plasma chemical aspects of dust formation in hydrocarbon plasmas. The interplay between dust formation and plasma chemistry will be discussed by means of different experimental results. One specific example concerns the formation of benzene and the role of atomic hydrogen for plasma chemical processes and dust formation in hydrocarbon discharges.

Berndt, J.; Kovacevic, E. [GREMI, Universite d'Orleans, Polytech' Orleans, 14 rue d'Issoudun, B. P. 6744, 45067 ORLEANS Cedex 2 (France); Stepanovic, O.; Stefanovic, I.; Winter, J. [Ruhr-University Bochum, Institute for Experimental Physics II, D-44780 Bochum (Germany)

2008-09-07

202

Combustion and heat transfer: Volume 3 -- Combustion studies. Final report, 8 June 1992--31 December 1997  

Microsoft Academic Search

The objective of the proposed research was to develop a fundamental understanding of the combustion process in a gas turbine combustor. Specifically, the authors performed WSR experiments, vortex-flame interaction studies, flame stabilization research, and studies of turbine blade film cooling. A toroidal WSR was used to study lean blowout (LBO), combustion efficiency, and emissions. They found that fuel hydrocarbons of

D. R. Ballal; F. Takahashi; D. Pestian; W. J. Schmoll; M. Vangsness

1997-01-01

203

Gas turbine alternative fuels combustion characteristics  

NASA Astrophysics Data System (ADS)

An experimental investigation was conducted to obtain combustion performance and exhaust pollutant concentrations for specific synthetic hydrocarbon fuels. Baseline comparison fuels used were gasoline and diesel fuel number two. Testing was done over a range of fuel to air mass ratios, total mass flow rates, and input combustion air temperatures in a flame-tube-type gas turbine combustor. Test results were obtained in terms of released heat and combustion gas emission values. The results were comparable to those obtained with the base fuels with variations being obtained with changing operating conditions. The release of carbon particles during the tests was minimal.

Rollbuhler, R. James

1989-02-01

204

Handbook of infrared radiation from combustion gases  

NASA Technical Reports Server (NTRS)

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.

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

1973-01-01

205

Spherical combustion clouds in explosions  

NASA Astrophysics Data System (ADS)

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

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

2013-05-01

206

Combustion of olive cake and coal in a bubbling fluidized bed with secondary air injection  

Microsoft Academic Search

Combustion performances and emission characteristics of olive cake and coal are investigated in a bubbling fluidized bed. Flue gas concentrations of O2, CO, SO2, NOx, and total hydrocarbons (CmHn) were measured during combustion experiments. Operational parameters (excess air ratio (?), secondary air injection) were changed and variation of pollutant concentrations and combustion efficiency with these operational parameters were studied. The

Murat Varol; Aysel T. Atimtay

2007-01-01

207

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

DOEpatents

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.

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

1998-01-01

208

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

Microsoft Academic Search

A method and apparatus are disclosed for the destruction of emissions from an internal combustion engine wherein a substrate coated with TiOâ 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.

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

1998-01-01

209

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

Microsoft Academic Search

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.

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

1998-01-01

210

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

DOEpatents

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

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

2014-01-14

211

Fundamental studies of fuel chemistry as related to internal combustion engine phenomena. Technical progress report, July 1, 1988--June 30, 1989  

SciTech Connect

The present research effort was initiated with the intent of providing substantially improved insights (through homogeneous gas phase kinetic studies at different constant pressures) to the fuel chemistry issues important to autoignition in engines. The conditions of the proposed experiments were chosen to represent those similar to the engine parameters under knocking conditions: temperatures in the range of 700--1,100K, pressures from one to approximately 20 atmospheres and stoichiometries around one. A major part of the proposed research has been to design and construct a variable pressure flow reactor facility in which a range of reaction pressures, and in fact, lower reaction temperatures could be accessed. The reactor facility design and construction are nearly complete, and initial testing has begun to compare the overall experimental operating characteristics of the reactor with the design parameters. Experiments on Isobutene/oxygen mixtures have also been conducted in the existing atmospheric pressure flow reactor at about 1,150 K and in an equivalence ratio range of pyrolysis with about 100 ppm oxygen background to 0.42. A detailed kinetic model has been developed to interpret the pyrolysis and oxidation characteristics. 89 refs.

Dryer, F.L.; Brezinsky, K.

1989-07-01

212

Chemical kinetics and combustion modeling  

SciTech Connect

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

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

1993-12-01

213

Natural hydrocarbon seeps  

Microsoft Academic Search

Recent investigations indicate that naturally occurring hydrocarbons are found in significant amounts in the marine environment. These hydrocarbons are not necessarily detrimental to marine life. Large amounts of bacteria growing in the enriched hydrocarbon water serve as food sources for shellfish, providing the beginning of a complex food chain. Therefore, future marine pollution by petroleum hydrocarbons appears to be less

1979-01-01

214

Evaluation of combustion by-products of MTBE as a component of reformulated gasoline.  

PubMed

Methyl tertiary-butyl ether (MTBE) is a gasoline oxygenate that is widely used throughout the US and Europe as an octane-booster and as a means of reducing automotive carbon monoxide (CO) emissions. The combustion by-products of pure MTBE have been evaluated in previous laboratory studies, but little attention has been paid to the combustion by-products of MTBE as a component of gasoline. MTBE is often used in reformulated gasoline (RFG), which has chemical and physical characteristics distinct from conventional gasoline. The formation of MTBE by-products in RFG is not well-understood, especially under "worst-case" vehicle emission scenarios such as fuel-rich operations, cold-starts or malfunctioning emission control systems, conditions which have not been studied extensively. Engine-out automotive dynamometer studies have compared RFG with MTBE to non-oxygenated RFG. Their findings suggest that adding MTBE to reformulated gasoline does not impact the high temperature flame chemistry in cylinder combustion processes. Comparison of tailpipe and exhaust emission studies indicate that reactions in the catalytic converter are quite effective in destroying most hydrocarbon MTBE by-product species. Since important reaction by-products are formed in the post-flame region, understanding changes in this region will contribute to the understanding of fuel-related changes in emissions. PMID:11219713

Franklin, P M; Koshland, C P; Lucas, D; Sawyer, R F

2001-01-01

215

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

DOEpatents

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.

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

2007-10-30

216

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

EPA Science Inventory

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

217

Determination of stable carbon and hydrogen isotopes of light hydrocarbons  

Microsoft Academic Search

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

Ingolf. Dumke; Eckhard. Faber; Juergen. Poggenburg

1989-01-01

218

Polycyclic aromatic hydrocarbons in the diet  

Microsoft Academic Search

Polycyclic aromatic hydrocarbons (PAHs), of which benzo[a]pyrene is the most commonly studied and measured, are formed by the incomplete combustion of organic matter. They are widely distributed in the environment and human exposure to them is unavoidable. A number of them, such as benzo[a]pyrene, are carcinogenic and mutagenic, and they are widely believed to make a substantial contribution to the

David H Phillips

1999-01-01

219

Electrically heated particulate filter regeneration using hydrocarbon adsorbents  

DOEpatents

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.

Gonze, Eugene V [Pinckney, MI

2011-02-01

220

Numerical simulation of turbulent combustion: Scientific challenges  

NASA Astrophysics Data System (ADS)

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.

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

2014-08-01

221

Bubble Combustion  

NASA Technical Reports Server (NTRS)

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

Corrigan, Jackie

2004-01-01

222

Plasma chemistry and organic synthesis  

NASA Technical Reports Server (NTRS)

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.

Tezuka, M.

1980-01-01

223

Turbulent combustion  

SciTech Connect

Turbulent combustion is the dominant process in heat and power generating systems. Its most significant aspect is to enhance the burning rate and volumetric power density. Turbulent mixing, however, also influences the chemical rates and has a direct effect on the formation of pollutants, flame ignition and extinction. Therefore, research and development of modern combustion systems for power generation, waste incineration and material synthesis must rely on a fundamental understanding of the physical effect of turbulence on combustion to develop theoretical models that can be used as design tools. The overall objective of this program is to investigate, primarily experimentally, the interaction and coupling between turbulence and combustion. These processes are complex and are characterized by scalar and velocity fluctuations with time and length scales spanning several orders of magnitude. They are also influenced by the so-called {open_quotes}field{close_quotes} effects associated with the characteristics of the flow and burner geometries. The authors` approach is to gain a fundamental understanding by investigating idealized laboratory flames. Laboratory flames are amenable to detailed interrogation by laser diagnostics and their flow geometries are chosen to simplify numerical modeling and simulations and to facilitate comparison between experiments and theory.

Talbot, L.; Cheng, R.K. [Lawrence Berkeley Laboratory, CA (United States)

1993-12-01

224

Combustion & Health  

E-print Network

FFCOMBUSTION & HEALTH Winifred J. Hamilton, PhD, SM Clear Air Through Energy Efficiency (CATEE) Galveston, TX October 9?11, 2012 FFCOMBUSTION & HEALTH FFCOMBUSTION: THE THREAT ? Biggest threat to world ecosystems (and to human health...) ? Combustion of fossil fuels for ? Electricity ? Industrial processes ? Vehicle propulsion ? Cooking and heat ? Other ? Munitions ? Fireworks ? Light ? Cigarettes, hookahs? FFCOMBUSTION & HEALTH FFCOMBUSTION: THE THREAT ? SCALE (think health...

Hamilton, W.

2012-01-01

225

A review on the technical adaptations for internal combustion engines to operate with gas\\/hydrogen mixtures  

Microsoft Academic Search

The use of the hydrogen as fuel in the internal combustion engine represents an alternative use to replace the hydrocarbons fuels, which produce during the combustion reaction a pollutes gases. The hydrogen is the most abundant material in the universe and during its combustion with air only produces nitrous oxides (NOx) gas, which can collect and avoid their emission to

M. A. Escalante Soberanis; A. M. Fernandez

2010-01-01

226

Combustion of a substitution fuel made of cardboard and polyethylene: influence of the mix characteristics—experimental approach  

Microsoft Academic Search

This article presents an experimental study of the combustion of substitution fuels elaborated from compressed mixes of cardboard and polyethylene (PE). These components are representative of two classical classes of waste materials: materials derived from wood and plastics. The combustion of these fuels has been experimentally characterized in terms of combustion rate, and quantity of PolyAromatic Hydrocarbons (PAH) pollutants emitted.

S. Salvador; M. Quintard; C. David

2004-01-01

227

Polycyclic aromatic hydrocarbon exhaust emissions from different reformulated diesel fuels and engine operating conditions  

NASA Astrophysics Data System (ADS)

The study of light-duty diesel engine exhaust emissions is important due to their impact on atmospheric chemistry and air pollution. In this study, both the gas and the particulate phase of fuel exhaust were analyzed to investigate the effects of diesel reformulation and engine operating parameters. The research was focused on polycyclic aromatic hydrocarbon (PAH) compounds on particulate phase due to their high toxicity. These were analyzed using a gas chromatography-mass spectrometry (GC-MS) methodology. Although PAH profiles changed for diesel fuels with low-sulfur content and different percentages of aromatic hydrocarbons (5-25%), no significant differences for total PAH concentrations were detected. However, rape oil methyl ester biodiesel showed a greater number of PAH compounds, but in lower concentrations (close to 50%) than the reformulated diesel fuels. In addition, four engine operating conditions were evaluated, and the results showed that, during cold start, higher concentrations were observed for high molecular weight PAHs than during idling cycle and that the acceleration cycles provided higher concentrations than the steady-state conditions. Correlations between particulate PAHs and gas phase products were also observed. The emission of PAH compounds from the incomplete combustion of diesel fuel depended greatly on the source of the fuel and the driving patterns.

Borrás, Esther; Tortajada-Genaro, Luis A.; Vázquez, Monica; Zielinska, Barbara

2009-12-01

228

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

E-print Network

148 Chemistry/Chinese Chemistry 347 (3)--Advanced Organic Chemistry Prerequisite: Chemistry 242,syntheticmethodology,mod- ernsyntheticreactions,protectinggroups,naturalprod- uctssynthesis,andcombinatorialchemistry.France. Spring Chemistry 350 (3)--Advanced Inorganic Chemistry Prerequisites: Chemistry 250, 252, and 262. Anintro

Dresden, Gregory

229

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

E-print Network

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

Ellison, Barney

230

Combustion instability modeling and analysis  

SciTech Connect

It is well known that the two key elements for achieving low emissions and high performance in a gas turbine combustor are to simultaneously establish (1) a lean combustion zone for maintaining low NO{sub x} emissions and (2) rapid mixing for good ignition and flame stability. However, these requirements, when coupled with the short combustor lengths used to limit the residence time for NO formation typical of advanced gas turbine combustors, can lead to problems regarding unburned hydrocarbons (UHC) and carbon monoxide (CO) emissions, as well as the occurrence of combustion instabilities. The concurrent development of suitable analytical and numerical models that are validated with experimental studies is important for achieving this objective. A major benefit of the present research will be to provide for the first time an experimentally verified model of emissions and performance of gas turbine combustors. The present study represents a coordinated effort between industry, government and academia to investigate gas turbine combustion dynamics. Specific study areas include development of advanced diagnostics, definition of controlling phenomena, advancement of analytical and numerical modeling capabilities, and assessment of the current status of our ability to apply these tools to practical gas turbine combustors. The present work involves four tasks which address, respectively, (1) the development of a fiber-optic probe for fuel-air ratio measurements, (2) the study of combustion instability using laser-based diagnostics in a high pressure, high temperature flow reactor, (3) the development of analytical and numerical modeling capabilities for describing combustion instability which will be validated against experimental data, and (4) the preparation of a literature survey and establishment of a data base on practical experience with combustion instability.

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

1995-12-31

231

Constant-Pressure Combustion Charts Including Effects of Diluent Addition  

NASA Technical Reports Server (NTRS)

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.

Turner, L Richard; Bogart, Donald

1949-01-01

232

Turbulent Combustion in SDF Explosions  

SciTech Connect

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

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

2009-11-12

233

PDF modeling and simulation of premixed turbulent combustion  

Microsoft Academic Search

The use of probability density function (PDF) methods for turbulent combustion simulations is very attractive because arbitrary finite-rate chemistry can be exactly taken into account. PDF methods are well developed for non-premixed turbulent combustion. However, many real flames involve a variety of mixing regimes (non-premixed, partially-premixed and premixed turbulent combustion), and the development of PDF methods for partially-premixed and premixed

Michael Stöllinger; Stefan Heinz

2008-01-01

234

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

E-print Network

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

Lima, Ana Lúcia Cessel de, 1969-

2004-01-01

235

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

E-print Network

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

Peck, Jhongwoo, 1976-

2003-01-01

236

Alkene and arene combustion on Pd(111)  

SciTech Connect

Palladium-catalyzed combustion reactions can play a significant role in the control of auto emissions in the three-way catalytic converter. Oxidation reactions of ethene, propene, 1-butene, 1,3-butadiene, benzene, and toluene were studied on oxygen-precovered Pd(111) (0.25 ML--1.2 ML) using temperature-programmed reaction spectroscopy (TPRS). Combustion is the sole reaction pathway; no partial oxidation products are formed. Comparison of these results with those from Pd(100) demonstrates that the structure of the metal surface does not significantly affect the mechanism of catalytic oxidation of most of the olefins or aromatic hydrocarbons studied, although, in general, combustion occurs at higher temperatures on Pd(111). Only for benzene combustion is there an appreciable structure sensitivity. For all the hydrocarbons studied the CO{sub 2} and CO yields are maximized for an oxygen precoverage of 0.34 oxygen atoms per surface palladium atom. Abrupt increases in carbon oxide production at specific oxygen coverages indicate that oxygen-induced surface reconstructions may play a role in the combustion activity.

Harris, T.D.; Madix, R.J. [Stanford Univ., CA (United States)] [Stanford Univ., CA (United States)

1998-09-10

237

Polycyclic hydrocarbons and carcinogenesis  

SciTech Connect

This book contains 15 papers. Some of the titles are: Stereoselective metabolism and activation of polycyclic aromatic hydrocarbons; X-ray analyses of polycyclic hydrocarbon-DNA adducts: formation, detection, and characterization; The mutational consequences of DNA damage induced by benzo (a) pyrene; and the Bay region theory of polycyclic aromatic hydrocarbon carcinogenesis.

Harvey, R.G.

1985-01-01

238

Fundamental spectroscopic studies of carbenes and hydrocarbon radicals  

SciTech Connect

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

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

1993-12-01

239

Problems of providing completeness of the methane-containing block-jet combustion in a rocket-ramjet engine's combustion chamber  

NASA Astrophysics Data System (ADS)

Some problems of methane-containing hydrocarbon fuel combustion are discussed. It seems that reduction of methane burnout zone length is one from main problems of designing new type engine. It is very important at the creation of combustion chambers of a rocket-ramjet engine for prospective space shuttle launch vehicles.

Timoshenko, Valeriy I.; Belotserkovets, Igor S.; Gusinin, Vjacheslav P.

2009-11-01

240

High efficiency detonation internal combustion engine (DICE)  

NASA Astrophysics Data System (ADS)

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

Loth, Eric; Loth, John; Loth, Frank

1992-07-01

241

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

E-print Network

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

Jacob, Daniel J.

242

Chemical Kinetic Models for HCCI and Diesel Combustion  

SciTech Connect

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

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

2008-10-30

243

HYDROCARBON FORMATION ON POLYMER-SUPPORTED COBALT  

SciTech Connect

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

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

1980-10-01

244

Mathematics of combustion  

Microsoft Academic Search

The applications of numerical techniques to the study of combustion processes is considered. The basic equations governing combustion processes are introduced, and some novel approaches to combustion reaction modelling are described. Among the specific applications discussed are: the Burger and Korteweg-de Vries equations of detonation processes; turbulent combustion modelling; and analysis of finite amplitude waves in combustible gases.

J. D. Buckmaster; H. Rabitz; F. A. Williams; W. Fickett; J. F. Clarke

1985-01-01

245

Combustion pressure sensor  

Microsoft Academic Search

A combustion pressure sensor is described for mounting on an internal combustion engine so as to have access to the interior of a combustion cylinder. The sensor consists of: a first diaphragm means adjacent a combustion region for deflecting as a function of the magnitude of adjacent pressure in the combustion region, and for acting as a gas tight seal

Bettman

1986-01-01

246

NASA Microgravity Combustion Science Program  

NASA Technical Reports Server (NTRS)

Combustion has been a subject of increasingly vigorous scientific research for over a century, not surprising considering that combustion accounts for approximately 85% of the world's energy production and is a key element of many critical technologies used by contemporary society. Although combustion technology is vital to our standard of living, it also poses great challenges to maintaining a habitable environment. A major goal of combustion research is production of fundamental (foundational) knowledge that can be used in developing accurate simulations of complex combustion processes, replacing current "cut-and-try" approaches and allowing developers to improve the efficiency of combustion devices, to reduce the production of harmful emissions, and to reduce the incidence of accidental uncontrolled combustion. With full understanding of the physics and chemistry involved in a given combustion process, including details of the unit processes and their interactions, physically accurate models which can then be used for parametric exploration of new combustion domains via computer simulation can be developed, with possible resultant definition of radically different approaches to accomplishment of various combustion goals. Effects of gravitational forces on earth impede combustion studies more than they impede most other areas of science. The effects of buoyancy are so ubiquitous that we often do not appreciate the enormous negative impact that they have had on the rational development of combustion science. Microgravity offers potential for major gains in combustion science understanding in that it offers unique capability to establish the flow environment rather than having it dominated by uncontrollable (under normal gravity) buoyancy effects and, through this control, to extend the range of test conditions that can be studied. It cannot be emphasized too strongly that our program is dedicated to taking advantage of microgravity to untangle complications caused by gravity, allowing major strides in our understanding of combustion processes and in subsequent development of improved combustion devices leading to improved quality of life on Earth. Fire and/or explosion events aboard spacecraft could be devastating to international efforts to expand the human presence in space. Testing to date has shown that ignition and flame spread on fuel surfaces (e.g., paper, wire insulation) behave quite differently under partial gravity and microgravity conditions. In addition, fire signatures-i.e., heat release, smoke production, flame visibility, and radiation-are now known to be quite different in reduced gravity environments; this research has provided data to improve the effectiveness of fire prevention practices, smoke and fire detectors, and fire extinguishment systems. The more we can apply our scientific and technological understanding to potential fire behavior in microgravity and partial gravity, the more assurance can be given to those people whose lives depend on the environment aboard spacecraft or eventually on habitats on the Moon or Mars.

King, Merrill K.

1999-01-01

247

Chemical Kinetic Modeling of Biofuel Combustion  

NASA Astrophysics Data System (ADS)

Bioalcohols, such as bioethanol and biobutanol, are suitable replacements for gasoline, while biodiesel can replace petroleum diesel. Improving biofuel engine performance requires understanding its fundamental combustion properties and the pathways of combustion. This study's contribution is experimentally validated chemical kinetic combustion mechanisms for biobutanol and biodiesel. Fundamental combustion data and chemical kinetic mechanisms are presented and discussed to improve our understanding of biofuel combustion. The net environmental impact of biobutanol (i.e., n-butanol) has not been studied extensively, so this study first assesses the sustainability of n-butanol derived from corn. The results indicate that technical advances in fuel production are required before commercializing biobutanol. The primary contribution of this research is new experimental data and a novel chemical kinetic mechanism for n-butanol combustion. The results indicate that under the given experimental conditions, n-butanol is consumed primarily via abstraction of hydrogen atoms to produce fuel radical molecules, which subsequently decompose to smaller hydrocarbon and oxygenated species. The hydroxyl moiety in n-butanol results in the direct production of the oxygenated species such as butanal, acetaldehyde, and formaldehyde. The formation of these compounds sequesters carbon from forming soot precursors, but they may introduce other adverse environmental and health effects. Biodiesel is a mixture of long chain fatty acid methyl esters derived from fats and oils. This research study presents high quality experimental data for one large fatty acid methyl ester, methyl decanoate, and models its combustion using an improved skeletal mechanism. The results indicate that methyl decanoate is consumed via abstraction of hydrogen atoms to produce fuel radicals, which ultimately lead to the production of alkenes. The ester moiety in methyl decanoate leads to the formation of low molecular weight oxygenated compounds such as carbon monoxide, formaldehyde, and ketene. The study concludes that the oxygenated molecules in biofuels follow similar combustion pathways to the hydrocarbons in petroleum fuels. The oxygenated moiety's ability to sequester carbon from forming soot precursors is highlighted. However, the direct formation of oxygenated hydrocarbons warrants further investigation into the environmental and health impacts of practical biofuel combustion systems.

Sarathy, Subram Maniam

248

Towards a detailed soot model for internal combustion engines  

SciTech Connect

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

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

2009-06-15

249

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...

250

Organic chemistry on Titan  

NASA Technical Reports Server (NTRS)

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.

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

1979-01-01

251

Combustion Control  

E-print Network

casing of the fuel control regulator with the combustion air piping. The upstream pressure on the burner air orifice is applied to the main diaphragm of the pressure balanced regulator. Assuming sufficient gas pressure at the regulator inlet..., the outlet gas pressure will equal the air impulse pressLre. As the primary control drive moves to open or close the air valve, the outlet pressure will "track" changes in air pressure. The burner is an orifice for the air (assuming that it is in good...

Riccardi, R. C.

1984-01-01

252

COMBUSTION RESEARCH Chapter from the Energy and Environment Division Annual Report 1980  

SciTech Connect

Combustion research at the Lawrence Berkeley Laboratory focuses on the study of the chemical and physical processes which are important in combustion. Two areas of application dominate; the control of combustion processes to allow the utilization of new fuels while limiting pollutant formation and the reduction of fire hazards accompanying energy generation and utilization technologies. Principal program areas are the interaction of fluid-mechanical turbulence and combustion, the development and application of new physical and chemical diagnostic techniques for combustion research, pollutant formation and destruction processes, theoretical and computational modeling of combustion processes, combustion processes in engines, fire science, and fire safety. Work is reported in these areas: ENGINE COMBUSTION AND IGNITION STUDIES; COMBUSTION CHEMISTRY AND POLLUTANT FORMATION; COMBUSTION FLUID MECHANICS; and FIRE RESEARCH.

Authors, Various

1981-05-01

253

HOMOGENEOUS CATALYSTS FOR THE PARTIAL-OXYGENATION OF SATURATED HYDROCARBONS WITH HYDROGEN PEROXIDE  

EPA Science Inventory

The development of catalysts with the capacity to activate green oxidants, such as hydrogen peroxide and molecular oxygen, can offer an environmentally sound pathway for hydrocarbon oxidation. Furthermore, by including the concepts of green chemistry and pollution prevention one ...

254

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

DOEpatents

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.

Kass, Michael D [Oak Ridge, TN

2007-07-24

255

Chemistry 675 Advanced Organic Chemistry  

E-print Network

Fall 2014 Chemistry 675 Advanced Organic Chemistry MWF 10:35-11:30 AM 200 LSB Professor John D Description: CHE675 is a graduate-level organic chemistry course focused on physical organic chemistry, which deals with the structure and reactivity of organic molecules and provides the foundation

Doyle, Robert

256

Numerical Simulation of Single Aluminum Particle Combustion (Review)  

Microsoft Academic Search

A two-dimensional, unsteady-state, kinetic-diffusion-vaporization-controlled numerical model for aluminum particle combustion\\u000a is presented. The model solves the conservation equations, while accounting for species generation and destruction with a\\u000a 15-reaction kinetic mechanism. Two of the major phenomena that differentiate aluminum combustion from hydrocarbon-droplet\\u000a combustion, namely, condensation of the aluminum-oxide product and subsequent deposition of part of the condensed oxide onto\\u000a the particle,

M. W. Beckstead; Y. Liang; K. V. Pudduppakkam

2005-01-01

257

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

DOEpatents

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.

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

1998-07-14

258

Green Chemistry  

NSDL National Science Digital Library

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

2002-01-01

259

Hydrocarbon emissions and health risks from cookstoves in developing countries.  

PubMed

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

Zhang, J; Smith, K R

1996-01-01

260

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

NASA Technical Reports Server (NTRS)

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.

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

1951-01-01

261

Fall Technical Meeting of the Eastern States Section of the Combustion Institute  

E-print Network

of Combustion Chemistry in LES/PDF Computations Varun Hiremath 1 , Steven R. Lantz 2 , Haifeng Wang 1 , Stephen of reactive flows with detailed chemistry involving large numbers of species and reactions are computationally expensive. Among the various techniques used to reduce the computational cost of representing chemistry

262

The effects of aluminum particle size on aluminized propellant combustion  

Microsoft Academic Search

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

Allan Dokhan

2002-01-01

263

Catalyst for treating exhaust gas from an internal combustion engine  

Microsoft Academic Search

This invention is directed to an equilibrium catalyst for treating oxides of nitrogen, carbon monoxide and unburned hydrocarbons found in an exhaust gas stream from an internal combustion engine. The catalyst includes a substrate, a selective three-way equilibrium catalyst, an oxygen storage material component for maintaining the activity of the equilibrium catalyst during momentary excursions of the exhaust gas stream

H. S. Gandhi; M. Shelef

1980-01-01

264

Probing flame chemistry with MBMS, theory, and modeling. Annual progress report, July 15, 1991--July 14, 1992  

SciTech Connect

The program objective is to establish kinetics of combustion and molecular weight growth in C{sub 3} hydrocarbon flames as part of an ongoing study of flame chemistry. Specific reactions to be studies are (1) the oxidation reactions of O and OH with C{sub 3}`s and (2) the growth reactions of C{sub 3}H{sub 5} and C{sub 3}H{sub 3} with themselves and with unsaturated hydrocarbons. Our approach combines molecular-beam mass spectroscopy (MBMS) experiments which give concentrations of stable species and free radicals in low-pressure flat flames; theoretical predictions of rate constants by thermochemical kinetics, Biomedical Quantum-RRK, RRKM, and master- equation theory; and whole-flame modeling using full mechanisms of elementary reactions. Detailed MBMS flame data are the principal results of the first nine months of the grant. Spatial profiles of temperature, area expansion ratio, and mole fraction have been mapped in two low-pressure flat flames, one fuel-lean ({phi} = 0.229) and the other fuel-rich ({phi} = 1.64) in propene/oxygen/argon. Species identities and trends suggest certain chemical pathways, but reaction theory and flame modeling are beginning to provide specific, quantitative insights into oxidation and growth chemistry. 5 refs., 23 figs., 1 tab.

Westmoreland, P.R.

1992-03-01

265

Anaerobic biodegradation of hydrocarbons  

Microsoft Academic Search

Anaerobic biodegradation of aliphatic and aromatic hydrocarbons is a promising alternative to aerobic biodegradation treatments in bioremediation processes. It is now proven that, besides toluene, benzene and ethylbenzene can be oxidized under anaerobic redox conditions. Anaerobic bacteria have also been shown capable of utilizing substrates not only in the pure form, but also in complex hydrocarbon mixtures, such as crude

Christof Holliger; Alexander JB Zehnder

1996-01-01

266

Geology of Hydrocarbons Visualizations  

NSDL National Science Digital Library

This site has over two dozen animations about hydrocarbons as energy sources, including where resources are found, the amount of each energy source/type used in the US and in the world, how hydrocarbons are formed, and how they are found by exploration geologists.

US Geological Survey Western Earth Surface Processes Team; National Park Service.

267

Recovering hydrocarbons from hydrocarbon-containing vapors  

DOEpatents

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

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

1980-09-30

268

Symposium (International) on Combustion, 22nd, University of Washington, Seattle, Aug. 14-19, 1988, Proceedings  

SciTech Connect

Papers on combustion are presented, including papers on coal combustion, combustion-generated particulates, engine combustion, turbulent combustion, reaction kinetics, combustion-generated NO(x) and SO(x), fires, fire characterization, laminar flames, ignition and extinction, detonations and explosions, dust combustion, propellants, combustion diagnostics, and multiphase combustion. Specific topics include soot formation in diffusion flames of fuel/oxygen mixtures, sooting limits of aerodynamically-strained diffusion flames, premixed combustion in a vortex, the structure of a laminar nonpremixed flame in an unsteady vortical flow, and a model gas turbine combustor with wall jets and optical access for turbulent mixing, fuel effects, and spray studies. Additional topics include the role of the recirculation vortex in improving fuel-air mixing within swirling flames, fractal geometry applications in turbulent combustion data analysis, a simulation with a cellular automaton for turbulent combustion modeling, turbulent combustion in nonpremixed flames, the structure of premixed turbulent flames, lifted turbulent jet flames, chemical kinetic modeling and sensitivity analyses for boron-assisted hydrocarbon combustion, the driving force of PAH production, and the near-limit flame spread over a thin solid fuel in microgravity.

Not Available

1989-01-01

269

Contrail: A Module from Physical Chemistry On-Line Project  

ERIC Educational Resources Information Center

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.

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

2007-01-01

270

Engineering Chlorinated hydrocarbons such as  

E-print Network

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

271

Combustion Fundamentals Research  

NASA Technical Reports Server (NTRS)

Increased emphasis is placed on fundamental and generic research at Lewis Research Center with less systems development efforts. This is especially true in combustion research, where the study of combustion fundamentals has grown significantly in order to better address the perceived long term technical needs of the aerospace industry. The main thrusts for this combustion fundamentals program area are as follows: analytical models of combustion processes, model verification experiments, fundamental combustion experiments, and advanced numeric techniques.

1983-01-01

272

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...

273

Heterogeneous chemistry and tropospheric ozone  

Microsoft Academic Search

Ozone is produced in the troposphere by gas-phase oxidation of hydrocarbons and CO catalyzed by hydrogen oxide radicals (HOx?OH+H+peroxy radicals) and nitrogen oxide radicals (NOx?NO+NO2). Heterogeneous chemistry involving reactions in aerosol particles and cloud droplets may affect O3 concentrations in a number of ways including production and loss of HOx and NOx, direct loss of O3, and production of halogen

Daniel J. Jacob

2000-01-01

274

ENVIRONMENTAL CHEMISTRY  

EPA Science Inventory

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

275

Chemistry Notes.  

ERIC Educational Resources Information Center

Presents background information, laboratory procedures, classroom materials/activities, and chemistry experiments. Topics include sublimation, electronegativity, electrolysis, experimental aspects of strontianite, halide test, evaluation of present and future computer programs in chemistry, formula building, care of glass/saturated calomel…

School Science Review, 1983

1983-01-01

276

Colour Chemistry  

ERIC Educational Resources Information Center

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

Griffiths, J.; Rattee, I. D.

1973-01-01

277

A laboratory scale supersonic combustive flow system  

SciTech Connect

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

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

1995-02-01

278

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

NASA Technical Reports Server (NTRS)

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.

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

1977-01-01

279

Corona chemistry in Titan.  

PubMed

The atmosphere of Titan is constantly bombarded by galactic cosmic rays and Saturnian magnetospheric electrons causing the formation of free electrons and primary ions, which are then stabilized by ion cluster formation and charging of aerosols. These charged particles accumulate in drops in cloud regions of the troposphere. Their abundance can substantially increase by friction, fragmentation or collisions during convective activity. Charge separation occurs with help of convection and gravitational settling leading to development of electric fields within the cloud and between the cloud and the ground. Neutralization of these charged particles leads to corona discharges which are characterized by low current densities. We have therefore, experimentally studied the corona discharge of a simulated Titan's atmosphere (10% methane and 2% argon in nitrogen) at 500 Torr and 298 K by GC-FTIR-MS techniques. The main products have been identified as hydrocarbons (ethane, ethyne, ethene, propane, propene+propyne, cyclopropane, butane, 2-methylpropane, 2-methylpropene, n-butane, 2-butene, 2,2-dimethylpropane, 2-methylbutane, 2-methylbutene, n-pentane, 2,2-dimethylbutane, 2-methylpentane, 3-methylpentane, n-hexane, 2,2-dimethylhexane, 2,2-dimethylpentane, 2,2,3-trimethylbutane, 2,3-dimethylpentane and n-heptane), nitriles (hydrogen cyanide, cyanogen, ethanenitrile, propanenitrile, 2-methylpropanenitrile and butanenitrile) and a highly branched hydrocarbon deposit. We present the trends of hydrocarbons and nitriles formation as a function of discharge time in an ample interval and have derived their initial yields of formation. The results clearly demonstrate that a complex organic chemistry can be initiated by corona processes in the lower atmosphere. Although photochemistry and charged particle chemistry occurring in the stratosphere can account for many of the observed hydrocarbon species in Titan, the predicted abundance of ethene is too low by a factor of 10 to 40. While some ethene will be produced by charged-particle chemistry, the production of ethene by corona processes and its subsequent diffusion into the stratosphere appears to be an adequate source. Because little UV penetrates to the lower atmosphere to destroy the molecules formed there, the corona-produced species may be long-lived and contribute significantly to the composition of the lower atmosphere and surface. PMID:11541887

Navarro-Gonzalez, R; Ramirez, S I; Matrajt, G; Basiuk, V; Basiuk, E

1998-06-01

280

Combust. Theory Modelling 1 (1997) 113--142. Printed in the UK PII: S13647830(97)802495 High resolution numerical simulation of ideal and  

E-print Network

, the reaction rate chemistry for energetic materials that can support rapid combustion or detonation is usually interactions. Condensed explosives, rocket propellants and other pyrotechnic materials such as explosive

Aslam, Tariq

281

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

DOEpatents

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.

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

282

Organic Chemistry  

NSDL National Science Digital Library

R. H. Logan, an chemistry instructor at North Lake College, created this introduction to organic chemistry. The introduction covers a eight types of organic compounds, including Alkanes, Alkyl Halides, and Acyl Compounds (forthcoming); Conformational Analysis and Stereoisomerism; and Instrumental Analysis of Organic Compounds, as well an extensive lesson in general chemistry.

283

Adsorption and conversion of various hydrocarbons on monolithic hydrocarbon adsorber.  

PubMed

Adsorption and conversion of various hydrocarbons on monolithic hydrocarbon adsorbers were studied using a new experimental model, temperature-programmed adsorption (TPA). In this study, methyl alcohol, acetone, acetaldehyde, 2,2,4-trimethylpentane, n-octane, and toluene were chosen as model hydrocarbons for cold start of a vehicle. The effect of the hydrocarbon components and oxygen concentration on the TPA curve was investigated. Depending on the presence of O(2), the adsorbed and desorbed amounts of the hydrocarbons were decreased, while the conversion efficiency of the hydrocarbons was increased. In the case of hydrocarbons containing oxygen, the thermal decomposition appeared to be in the order methanol, acetaldehyde, and acetone. PMID:15144827

Kim, Dae Jung; Kim, Ji Man; Yie, Jae Eui; Seo, Seong Gyu; Kim, Sang-Chai

2004-06-15

284

Atmospheric chemistry - Response to human influence  

NASA Technical Reports Server (NTRS)

Global atmospheric chemistry is surveyed, and the agreement of models with observed distribution of gases is considered. The influence of human perturbations due to combustion, agriculture, and chloro-carbon releases is examined with emphasis on ozone. Effects of combustion-related releases of CO on the abundances of other gases as well as possible effects of CO on tropospheric ozone are discussed. Other topics include the contribution of the chlorocarbon industry to stratospheric chloride and the recombination of nitrogen fixed by agriculture and combustion.

Logan, J. A.; Prather, M. J.; Wofsy, S. G.; Mcelroy, M. B.

1978-01-01

285

Combustion 2000  

SciTech Connect

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

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

2001-06-30

286

A review of the neurotoxicity risk of selected hydrocarbon fuels.  

PubMed

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

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

2001-01-01

287

Detection of gas phase combustion products and pollutants via intra-cavity Raman spectroscopy  

SciTech Connect

An intra-cavity Raman spectrometer was employed in the detection of various gas phase pollutants and combustion products. Using the spectrometer, data were collected for sulfur dioxide, nitric oxide, nitrogen dioxide, carbon monoxide, carbon dioxide, oxygen, and total hydrocarbons in both noncombustion and combustion environments. Based on the data collected, instrument detection limits were established and calibration curves were constructed. It was found that the intra-cavity Raman system produced a linear calibration curve for sulfur dioxide, nitrogen dioxide, and carbon monoxide in a noncombustion environment, and had a linear response for sulfur dioxide and carbon monoxide during combustion. Various combustion scenarios were also set up to establish combustion efficiency of a lab scale burner system based on oxygen, carbon monoxide, carbon dioxide, and hydrocarbon data.

Underhill-Shanks, K.S.; Hudson, M.K. [Univ. of Arkansas, Little Rock, AR (United States)

1995-12-01

288

Trace Chemistry  

NASA Technical Reports Server (NTRS)

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

Radhakrishnan, Krishnan; Whitefield, Philip

1999-01-01

289

Membrane separation of hydrocarbons  

DOEpatents

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

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

1986-01-01

290

Combustion 2000  

SciTech Connect

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

None

1999-12-31

291

Compression ratio effect on methane HCCI combustion  

Microsoft Academic Search

The authors have used the HCT (hydrodynamics, chemistry, and transport) chemical kinetics code to simulate HCCI (homogeneous charge compression ignition) combustion of methane-air mixtures. HCT is applied to explore the ignition timing, burn duration, NO{sub X}production, gross indicated efficiency and gross IMEP of a supercharged engine (3 atm. intake pressure) with 14:1, 16:1 and 18:1 compression ratios at 1200 rpm.

S. M. Aceves; J. R. Smith; C. K. Westbrook; W. J. Pitz

1999-01-01

292

Compression ratio effect on methane HCCI combustion  

Microsoft Academic Search

We have used the HCT (Hydrodynamics, Chemistry and Transport) chemical kinetics code to simulate HCCI (homogeneous charge compression ignition) combustion of methane-air mixtures. HCT is applied to explore the ignition timing, bum duration, NOx<\\/sub> production, gross indicated efficiency and gross IMEP of a supercharged engine (3 atm. Intake pressure) with 14:1, 16:l and 18:1 compression ratios at 1200 rpm. HCT

S. M. Aceves; W. Pitz; J. R. Smith; C. Westbrook

1998-01-01

293

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

Microsoft Academic Search

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

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

1998-01-01

294

38th JANNAF Combustion Subcommittee Meeting. Volume 1  

NASA Technical Reports Server (NTRS)

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.

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

2002-01-01

295

Correlations of fuel economy, exhaust hydro-carbon concentrations, and vehicle performance efficiency  

E-print Network

. The state of operation of the internal conbustion engine is directly related to its combustion efficiency which may be measured by several parameters, in this case fuel economy, as measured by gasoline mileage and air pollution potential as measured... of the SAE. being used for tune-ups and the possibility of establishing new methods so that the internal combustion engine can operate at peak efficiency which will result in less emissions and better fuel economy. Problem. ? Hydrocarbon emissions...

Baumann, Philip Douglas

1974-01-01

296

A new technique to study plasma chemistry kinetics  

Microsoft Academic Search

Accurate kinetics of plasma processes are necessary for modeling of the chemistry occurring in the upper atmosphere, re-entry, combustion, and discharges. While a great deal of data exists in the literature for most types of plasma chemistry processes, there remain gaps for reactions less amenable to traditional measurements. In particular ion-ion mutual neutralization reactions have received relatively little study, and

Nicholas S. Shuman; Thomas M. Miller; Raymond Bemish; Albert A. Viggiano

2011-01-01

297

Analytical Chemistry  

NSDL National Science Digital Library

This document contains a list of detailed lecture notes covering a wide range of topics including equilibrium, titrations, sample preparation, acids and bases, buffers, spectrophotometry, potentiometry and chromatography. This site is part of a collection of notes from a general chemistry course taught at the State University of West Georgia. This document gives supplementary material that could be useful to intermediate chemistry majors in an analytical chemistry course or new faculty developing a course.

Henderson, David E.

298

Surrogate Model Development for Fuels for Advanced Combustion Engines  

SciTech Connect

The fuels used in internal-combustion engines are complex mixtures of a multitude of different types of hydrocarbon species. Attempting numerical simulations of combustion of real fuels with all of the hydrocarbon species included is highly unrealistic. Thus, a surrogate model approach is generally adopted, which involves choosing a few representative hydrocarbon species whose overall behavior mimics the characteristics of the target fuel. The present study proposes surrogate models for the nine fuels for advanced combustion engines (FACE) that have been developed for studying low-emission, high-efficiency advanced diesel engine concepts. The surrogate compositions for the fuels are arrived at by simulating their distillation profiles to within a maximum absolute error of 4% using a discrete multi-component (DMC) fuel model that has been incorporated in the multi-dimensional computational fluid dynamics (CFD) code, KIVA-ERC-CHEMKIN. The simulated surrogate compositions cover the range and measured concentrations of the various hydrocarbon classes present in the fuels. The fidelity of the surrogate fuel models is judged on the basis of matching their specific gravity, lower heating value, hydrogen/carbon (H/C) ratio, cetane number, and cetane index with the measured data for all nine FACE fuels.

Anand, Krishnasamy [University of Wisconsin, Madison; Ra, youngchul [University of Wisconsin, Madison; Reitz, Rolf [University of Wisconsin; Bunting, Bruce G [ORNL

2011-01-01

299

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

SciTech Connect

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

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

1995-03-01

300

BOOK REVIEW: Turbulent Combustion  

Microsoft Academic Search

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

Norbert Peters

2001-01-01

301

Adiabatic internal combustion engine  

Microsoft Academic Search

An adiabatic internal combustion engine is described comprising a cylinder having a piston movably disposed therein, means for admitting air and fuel to the cylinder to be combusted therein and means for discharging the combustion gases therefrom, the cylinder including a piston guide and seal structure having stationary seal rings associated therewith and, the cylinder having an inner wall structure

C. E. Kraus; C. B. Lohr

1989-01-01

302

Internal combustion engine  

Microsoft Academic Search

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

Thomas

1976-01-01

303

Combustion synthesis and nanomaterials  

Microsoft Academic Search

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

Singanahally T. Aruna; Alexander S. Mukasyan

2008-01-01

304

Chemistry Notes  

ERIC Educational Resources Information Center

Twelve new chemistry expermiments are described. Broad areas covered include atomic structure, solubility, gaseous diffusion, endothermic reactions, alcohols, equilibrium, atomic volumes, and some improvised apparatus. (PS)

School Science Review, 1972

1972-01-01

305

Doing Chemistry  

NSDL National Science Digital Library

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

Brooks, David W.

2010-05-25

306

Technetium chemistry  

SciTech Connect

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

Burns, C.; Bryan, J.; Cotton, F.; Ott, K.; Kubas, G.; Haefner, S. [Los Alamos National Lab., NM (United States); Barrera, J. [Dartmouth Coll., Hanover, NH (United States); Hall, K. [Univ. of Washington, Seattle, WA (United States); Burrell, A. [Massey Univ., Palmerston North (New Zealand)

1996-04-01

307

Non-methane hydrocarbons in the Arctic boundary layer  

NASA Astrophysics Data System (ADS)

C 2-C 7 non-methane hydrocarbons were measured in clean maritime boundary layer air at latitudes between 53°N and 81°N. Measurements were made as part of the Arctic ice and environmental variability cruise aboard RRS James Clark Ross using a high sensitivity automated gas chromatography system. The data were collected during summer 1999, a period of continuous Arctic sunlight. Hydrocarbons of anthropogenic origin were observed to decrease in concentration with increasing latitude, a combination of dispersion and extensive atmospheric chemical processing. At high latitudes, low boundary layer conditions were common and species of exclusively anthropogenic origin reached highly stable although non-zero values (e.g. acetylene 27.8±2.4 pptV). A number of hydrocarbons believed to be of oceanic origin showed wide variability in these regions of atmospheric boundary layer stability (average ethene=37.2±20.9 pptV), highlighting inhomogeneity in the ocean to atmosphere flux rates. Whilst substantial increases in biological activity and productivity in the marginal ice zone have been previously reported, no evidence for increased biogenic hydrocarbon emissions were observed during this cruise. Removal mechanisms for atmospheric hydrocarbons were generally dominated by OH chemistry. Under clean maritime conditions the observed iso-/ n pentane and butane ratios were in good agreement with published sea-fluxes. Using the relative ratios of iso-/ n-butane and iso-butane/propane, there was evidence of significant chlorine atom chemistry at these high latitudes.

Hopkins, J. R.; Jones, I. D.; Lewis, A. C.; McQuaid, J. B.; Seakins, P. W.

308

Improving Dryer and Press Efficiencies Through Combustion of Hydrocarbon Emissions  

SciTech Connect

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

Sujit Banerjee

2005-10-31

309

Kinetics and mechanism of soot formation in hydrocarbon combustion  

NASA Technical Reports Server (NTRS)

The focus of this work was on kinetic modeling. The specific objectives were: detailed modeling of soot formation in premixed flames, elucidation of the effects of fuel structure on the pathway to soot, and the development of a numerical technique for accurate modeling of soot particle coagulation and surface growth. Those tasks were successfully completed and are briefly summarized.

Frenklach, Michael

1990-01-01

310

Carbon deposition model for oxygen-hydrocarbon combustion  

NASA Technical Reports Server (NTRS)

The objectives are to use existing hardware to verify and extend the database generated on the original test programs. The data to be obtained are the carbon deposition characteristics when methane is used at injection densities comparable to full scale values. The database will be extended to include liquid natural gas (LNG) testing at low injection densities for gas generator/preburner conditions. The testing will be performed at mixture ratios between 0.25 and 0.60, and at chamber pressures between 750 and 1500 psi.

Bossard, John A.

1988-01-01

311

A small detailed chemical-kinetic mechanism for hydrocarbon combustion  

Microsoft Academic Search

A chemical-kinetic mechanism is presented that is designed to be used for autoignition, deflagrations, detonations, and diffusion flames of a number of different fuels. To keep the mechanism small, attention is restricted to pressures below about 100 atm, temperatures above about 1000 K, and equivalence ratios less than about 3 for the premixed systems, thereby excluding soot formation and low-temperature

M. V. Petrova; F. A. Williams

2006-01-01

312

Detailed and reduced chemical-kinetic descriptions for hydrocarbon combustion  

Microsoft Academic Search

Numerical and theoretical studies of autoignition processes of fuels such as propane are in need of realistic simplified chemical-kinetic descriptions that retain the essential features of the detailed descriptions. These descriptions should be computationally feasible and cost-effective. Such descriptions are useful for investigating ignition processes that occur, for example, in homogeneous-charge compression-ignition engines, for studying the structures and dynamics of

Maria V. Petrova

2005-01-01

313

Hypergolic bipropellant spray combustion and flow modelling in rocket engines  

NASA Technical Reports Server (NTRS)

A predictive tool for hypergolic bipropellant spray combustion and flow evolution in small rocket combustion chambers is described. It encompasses a computational technique for the gas-phase governing equations, a discrete particle method for liquid bipropellant sprays, and constitutive models for combustion chemistry, interphase exchanges, and unlike impinging hypergolic spray interactions. Emphasis is placed on the phenomenological modeling of the hypergolic liquid bipropellant gasification processes. Sample computations with the N2H4-N2O4 propellant system are given in order to show some of the capabilities and inadequacies of this tool.

Larosiliere, Louis M.; Litchford, Ron J.; Jeng, San-Mou

1990-01-01

314

Method of regulating combustion in the combustion chambers of an internal combustion engine  

Microsoft Academic Search

A method is proposed for regulating the combustion of operating mixtures in the combustion chambers of internal combustion engines. The course of the light intensity of the light resulting from combustion in the combustion chamber is detected and evaluated over the course of combustion; reference control variables derived therefrom are formed for use by subsequently disposed closed-loop control devices of

R. Burkel; K. Eckert; H. Franke; E. Linder; H. Maurer; W. Moser; K. Muller; C. Peter; F. Rieger

1983-01-01

315

BOND LENGTH IN BENZENOID HYDROCARBONS Mrcia M. C. Fereira and Rudolf Kiralj, Universidade Estadual de Campinas, Campinas, SP, 13084-  

E-print Network

1 BOND LENGTH IN BENZENOID HYDROCARBONS Márcia M. C. Fereira and Rudolf Kiralj, Universidade-carbon bond length in organic compounds, especially in aromatic hydrocarbons, is a tradicional subject of structural, theoretical and organic chemistry. For example, bond length is an important index of the aromatic

Ferreira, Márcia M. C.

316

Supercritical droplet combustion and related transport phenomena  

NASA Technical Reports Server (NTRS)

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.

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

1993-01-01

317

Studies of combustion kinetics and mechanisms  

SciTech Connect

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

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

1993-12-01

318

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

NASA Technical Reports Server (NTRS)

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.

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

1988-01-01

319

Combust. Theory Modelling 1 (1997) 4163. Printed in the UK PII: S1364-7830(97)78225-1 Computationally efficient implementation of combustion  

E-print Network

-7830(97)78225-1 Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation S B Pope Sibley turbulent flames, the computational cost of making calculations including detailed chemistry is usually August 1996, in final form 21 January 1997 Abstract. A computational technique is described

320

Flow Turbulence Combust (2009) 82:437453 DOI 10.1007/s10494-008-9145-3  

E-print Network

of Chemistry in Computational Combustion Stephen B. Pope · Zhuyin Ren Received: 20 October 2007 / Accepted: 3- mentation of chemistry at Cornell, specifically: the invariant constrained equilibrium- edge pre-image curve dimension-reduction method for the reduced description of reactive flows; the transport-chemistry coupling

321

Chemistry Notes.  

ERIC Educational Resources Information Center

Outlines laboratory procedures, demonstrations, teaching suggestions, and content information related to chemistry. Topics include polarizing power; calorimetry and momentum; microcomputers in school chemistry; a constant-volume dispenser for liquids, floating magnets, and crystal lattices; preparation of chromium; and solvent polarity and…

School Science Review, 1981

1981-01-01

322

Combustion characteristics of gas turbine alternative fuels  

NASA Technical Reports Server (NTRS)

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.

Rollbuhler, R. James

1987-01-01

323

Unsteady flow evolution and combustion dynamics of homogeneous solid propellant in a rocket motor  

Microsoft Academic Search

Time-resolved simulations of combustion dynamics of homogeneous double-base propellants and the ensuing unsteady flowfield in a rocket motor are performed. The overall objective is to establish a unified theoretical\\/numerical framework accommodating propellant chemistry, turbulent combustion, and gas dynamics in order to predict self-sustained unstable motions in the motor known as combustion instability. The pathway to explore these intricate phenomena follows

Sourabh Vasant Apte

2000-01-01

324

Opportunities in pulse combustion  

SciTech Connect

In most pulse combustors, the combustion occurs near the closed end of a tube where inlet valves operate in phase with the pressure amplitude variations. Thus, within the combustion zone, both the temperature and the pressure oscillate around a mean value. However, the development of practical applications of pulse combustion has been hampered because effective design requires the right combination of the combustor's dimensions, valve characteristics, fuel/oxidizer combination, and flow pattern. Pulse combustion has several additional advantages for energy conversion efficiency, including high combustion and thermal efficiency, high combustion intensity, and high convective heat transfer rates. Also, pulse combustion can be self-aspirating, generating a pressure boost without using a blower. This allows the use of a compact heat exchanger that may include a condensing section and may obviate the need for a chimney. In the last decade, these features have revived interest in pulse combustion research and development, which has resulted in the development of a pulse combustion air heater by Lennox, and a pulse combustion hydronic unit by Hydrotherm, Inc. To appraise this potential for energy savings, a systematic study was conducted of the many past and present attempts to use pulse combustion for practical purposes. The authors recommended areas where pulse combustion technology could possibly be applied in the future and identified areas in which additional R and D would be necessary. Many of the results of the study project derived from a special workshop on pulse combustion. This document highlights the main points of the study report, with particular emphasis on pulse combustion application in chemical engineering.

Brenchley, D.L.; Bomelburg, H.J.

1985-10-01

325

Simplified Modeling of Oxidation of Hydrocarbons  

NASA Technical Reports Server (NTRS)

A method of simplified computational modeling of oxidation of hydrocarbons is undergoing development. This is one of several developments needed to enable accurate computational simulation of turbulent, chemically reacting flows. At present, accurate computational simulation of such flows is difficult or impossible in most cases because (1) the numbers of grid points needed for adequate spatial resolution of turbulent flows in realistically complex geometries are beyond the capabilities of typical supercomputers now in use and (2) the combustion of typical hydrocarbons proceeds through decomposition into hundreds of molecular species interacting through thousands of reactions. Hence, the combination of detailed reaction- rate models with the fundamental flow equations yields flow models that are computationally prohibitive. Hence, further, a reduction of at least an order of magnitude in the dimension of reaction kinetics is one of the prerequisites for feasibility of computational simulation of turbulent, chemically reacting flows. In the present method of simplified modeling, all molecular species involved in the oxidation of hydrocarbons are classified as either light or heavy; heavy molecules are those having 3 or more carbon atoms. The light molecules are not subject to meaningful decomposition, and the heavy molecules are considered to decompose into only 13 specified constituent radicals, a few of which are listed in the table. One constructs a reduced-order model, suitable for use in estimating the release of heat and the evolution of temperature in combustion, from a base comprising the 13 constituent radicals plus a total of 26 other species that include the light molecules and related light free radicals. Then rather than following all possible species through their reaction coordinates, one follows only the reduced set of reaction coordinates of the base. The behavior of the base was examined in test computational simulations of the combustion of heptane in a stirred reactor at various initial pressures ranging from 0.1 to 6 MPa. Most of the simulations were performed for stoichiometric mixtures; some were performed for fuel/oxygen mole ratios of 1/2 and 2.

Bellan, Josette; Harstad, Kenneth

2008-01-01

326

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

SciTech Connect

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

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

2011-01-15

327

Hydrocarbon processing symposium 1990  

SciTech Connect

The 1990 Hydrocarbon Processing Symposium at the Energy-Sources Technology Conference and Exhibition deals with two particular areas of hydrocarbon processing - considerations in waste processing and cogeneration applications. Several papers address solid and liquid waste disposal from the environmental point of view. In a session on waste-to-energy, papers on polymer reprocessing, wood waste and waste solvents offer new ideas on waste minimization and resource recovery maximization. The predominant issue in the cogeneration area is the experience gained from the design and installation of actual systems. These papers discuss a variety of issues including the experience of design and development, feasibility studies and size and site considerations.

Kundu, N.K.; Somasundaram, S. (eds.)

1990-01-01

328

HYDROCARBON POLLUTANTS FROM STATIONARY SOURCES  

EPA Science Inventory

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

329

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

NASA Technical Reports Server (NTRS)

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.

1977-01-01

330

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

PubMed

The procedure for and results of a test study of polycyclic aromatic hydrocarbon (PAH) emission from a few types of solid fuels combustion in residential furnaces of various designs typical for Belarus are discussed. Greatest levels of PAH emission were detected from domestic wastes and wood waste combustion. Lowest levels of PAH emission are from peat briquette combustion. It was found that PAH concentration in off-gases from firewood combustion also varies significantly depending on the type of wood: the highest values of PAH are typical for waste gases from birch firewood combustion in comparison with pine firewood combustion. Draft PAH emission factors are proposed with intended application for emission inventory of such installations. PMID:15519469

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

2005-01-01

331

Catalytic cracking of hydrocarbons  

SciTech Connect

This patent describes a fluid catalytic cracking process for nonhydrogenative cracking of hydrocarbons, which cracking process comprises: cofeeding active hot solid zeolite cracking catalyst and crackable hydrocarbon feed to a cracking zone; cracking the feed to hydrocarbon products while depositing coke, nickel and vanadium on the catalyst; disengaging the coked catalyst from the hydrocarbon products; passing the coked catalyst to a regeneration zone; passing an oxygen containing gas upwardly through the regeneration zone and at sufficient velocity to fluidize the catalyst contained therein; retaining the catalyst in the regeneration zone at a temperature and for a time sufficient to burn coke off the catalyst thereby heating and reactivating it and producing a flue gas comprising carbon oxides; returning the reactivated, heated catalyst to the cracking zone; concomitantly removing an amount of a circulating inventory of the catalyst from the process and replacing it with fresh makeup catalyst. The improvement comprises: adding to the circulating inventory of zeolite cracking catalyst separate particles of sponge coke having a selectivity for vanadium, K/sub v/, of at least about 10, the addition being effective to provide about 0.1 to about 10.0 weight percent of the sponge coke particles in the cracking zone.

Green, G.J.; Huh, B.K.; Yan, T.Y.

1989-05-09

332

Laser beam hydrocarbon detector  

NASA Technical Reports Server (NTRS)

Portable instrument passes light from helium-neon laser at a wavelength of 3.39 microns through the atmosphere being monitored and measures attenuation of the laser beam. Since beam attenuation is due almost exclusively to absorption of radiation by hydrocarbons, a quantitative measure of their concentration is available.

Beam, B. H.; Burrous, C. N.; Jaynes, D. N.

1970-01-01

333

Optrode for sensing hydrocarbons  

DOEpatents

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

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

1988-01-01

334

Optrode for sensing hydrocarbons  

DOEpatents

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

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

1987-01-01

335

Hydrocarbons from lignocellulosic residues  

SciTech Connect

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

Soltes, D.J.

1983-01-01

336

Chemistry of Aviation Fuels  

NASA Technical Reports Server (NTRS)

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

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

2004-01-01

337

EFFECT OF HYDROCARBON COMPOSITION ON OXIDANT-HYDROCARBON RELATIONSHIPS. PHASE II. BLEND OF TOTAL HYDROCARBON EMISSIONS  

EPA Science Inventory

To assess the formation of atmospheric oxidants resulting from exhaust emitted by catalyst-equipped vehicles, chamber irradiations were conducted using a hydrocarbon blend representing total hydrocarbon emissions (exhaust, refueling and evaporation). Results were compared with pr...

338

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

NASA Technical Reports Server (NTRS)

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.

Bauman, A. J. (inventor)

1981-01-01

339

Towards a detailed soot model for internal combustion engines  

Microsoft Academic Search

In this work, we present a detailed model for the formation of soot in internal combustion engines describing not only bulk quantities such as soot mass, number density, volume fraction, and surface area but also the morphology and chemical composition of soot aggregates. The new model is based on the Stochastic Reactor Model (SRM) engine code, which uses detailed chemistry

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

2009-01-01

340

Mercury emission behavior during isolated coal particle combustion  

E-print Network

) gas phase oxidation iv) reaction chemistry of Hg and v) heterogeneous oxidation of carbon during isolated coal particle combustion. The model assumes that mercury and chlorine are released as a part of volatiles in the form of elemental mercury and HCl...

Puchakayala, Madhu Babu

2009-05-15

341

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

EPA Science Inventory

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

342

Nuclear Chemistry.  

ERIC Educational Resources Information Center

Provides a brief review of the latest developments in nuclear chemistry. Nuclear research today is directed toward increased activity in radiopharmaceuticals and formation of new isotopes by high-energy, heavy-ion collisions. (Author/BB)

Chemical and Engineering News, 1979

1979-01-01

343

Cooperative Chemistry  

NSDL National Science Digital Library

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

Allan A. Gahr

2003-02-01

344

Chemistry Notes  

ERIC Educational Resources Information Center

Several ideas are proposed for chemistry teachers to try in their classrooms. Subjects included are polymerization of acrylate, polymerization of styrene, conductivity, pollution, preparation of chlorine, redox equations, chemiluminescence, and molecular sieves. (PS)

School Science Review, 1973

1973-01-01

345

Chemistry Notes.  

ERIC Educational Resources Information Center

Describes 13 activities, experiments and demonstrations, including the preparation of iron (III) chloride, simple alpha-helix model, investigating camping gas, redox reactions of some organic compounds, a liquid crystal thermometer, and the oxidation number concept in organic chemistry. (JN)

School Science Review, 1981

1981-01-01

346

Catalytic Chemistry.  

ERIC Educational Resources Information Center

Describes an approach for making chemistry relevant to everyday life. Involves the study of kinetics using the decomposition of hydrogen peroxide by vegetable juices. Allows students to design and carry out experiments and then draw conclusions from their results. (JRH)

Borer, Londa; And Others

1996-01-01

347

Radioanalytical Chemistry  

NSDL National Science Digital Library

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

Hardy, James K.

348

Green Chemistry  

NSDL National Science Digital Library

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

Foundation, Wgbh E.

2011-03-21

349

Hydrocarbonization research: completion report  

SciTech Connect

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

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

1981-01-01

350

Coal combustion products  

USGS Publications Warehouse

Coal-burning powerplants, which supply more than half of U.S. electricity, also generate coal combustion products, which can be both a resource and a disposal problem. The U.S. Geological Survey collaborates with the American Coal Ash Association in preparing its annual report on coal combustion products. This Fact Sheet answers questions about present and potential uses of coal combustion products.

Kalyoncu, R.S.; Olson, D.W.

2001-01-01

351

Mantle hydrocarbons: abiotic or biotic?  

PubMed

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

Sugisaki, R; Mimura, K

1994-06-01

352

Mantle hydrocarbons: Abiotic or biotic?  

SciTech Connect

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

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

1994-06-01

353

Chemistry Tutorials  

NSDL National Science Digital Library

The California State University Stanislaus developed these interactive chemistry Web tutorials to assist college students in mass spectrometry, proton NMR chemical shifts, and more. With the many animations and figures, visitors will find assistance with the subtraction and absorption of light and with infrared absorption frequencies for numerous compounds. The titration tutorials simulate laboratory experiments without the hazards of dealing with chemicals. Students will also find a very informative lesson describing how to use Excel to record and analyze their chemistry data.

354

Stratospheric chemistry  

SciTech Connect

Advances in stratospheric chemistry made by investigators in the United States from 1987 to 1990 are reviewed. Subject areas under consideration include photochemistry of the polar stratosphere, photochemistry of the global stratosphere, and assessments of inadvertent modification of the stratosphere by anthropogenic activity. Particular attention is given to early observations and theories, gas phase chemistry, Antarctic observations, Arctic observations, odd-oxygen, odd-hydrogen, odd-nitrogen, halogens, aerosols, modeling of stratospheric ozone, and reactive nitrogen effects.

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

1991-01-01

355

Combustion under microgravity conditions  

SciTech Connect

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

Berlad, A.L.

1982-01-01

356

Modeling Gas Phase RDX Combustion with Intrinsic Low Dimensional Manifolds 1 Sandeep Singh2  

E-print Network

- ated with full models of gas phase RDX combustion, and thus significantly improve computational a wide variety of thermochemical phenomena, the effects of detailed finite rate chemistry must link between traditional collision-based gas phase chemistry and fundamental fluid mechanics. However

357

Fuel-rich catalytic combustion of a high density fuel  

NASA Technical Reports Server (NTRS)

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

Brabbs, Theodore A.; Merritt, Sylvia A.

1993-01-01

358

Flow-Through, Low Retention Hydrocarbon Generation in Active Sedimentary Basins  

Microsoft Academic Search

Hydrocarbons are typically generated when thin (<100 m), organic-rich strata are buried. Oil is generated first, then gas. Detailed investigation of the chemistry of hydrocarbons in a 100 (E-W) x 200 (N-S) km study area in the offshore Louisiana Gulf of Mexico Basin shows that the early-generated oils there have been extensively altered by interaction with late-generated gas, producing a

L. M. Cathles

2002-01-01

359

Colorimetric analysis of voltaile aromatic hydrocarbons for use in environmental field screening  

SciTech Connect

Analysis of volatile aromatic hydrocarbons (benzene, toluene, xylene, ethylbenzene) in water and soil generally requires the use of Gas Chromatography, which makes field analysis difficult and expensive. We have developed a simple semi-quantitative colorimetric method for analysis of volatile aromatic hydrocarbons that would be suitable for field applications. The method relies on conversion of the aromatics to phenols and catecols using controlled Fenton`s chemistry. The phenolic products are then determined spectroscopically as the phenol-antipyrine adduct.

Walker, J.R.; Steinberg, S. [Univ. of Nevada, Las Vegas, NV (United States)

1995-12-01

360

Methodology development of a time-resolved in-cylinder fuel oxidation analysis: Homogeneous charge compression ignition combustion study application  

SciTech Connect

A technique was developed and applied to understand the mechanism of fuel oxidation in an internal combustion engine. This methodology determines the fuel and concentrations of various intermediates during the combustion cycle. A time-resolved measurement of a large number of species is the objective of this work and is achieved by the use of a sampling probe developed in-house. A system featuring an electromagnetically actuated sampling valve with internal N{sub 2} dilution was developed for sampling gases coming from the combustion chamber. Combustion species include O{sub 2}, CO{sub 2}, CO, NO{sub x}, fuel components, and hydrocarbons produced due to incomplete combustion of fuel. Combustion gases were collected and analyzed with the objectives of analysis by an automotive exhaust analyzer, separation by gas chromatography, and detection by flame ionization detection and mass spectrometry. The work presented was processed in a homogeneous charge compression ignition combustion mode context. (author)

Nowak, L.; Guibert, P.; Cavadias, S. [Universite de Pierre et Marie Curie, Institut Jean Le Rond D'Alembert CNRS UMR 7190, 2 place de la Gare de Ceinture, 78210 Saint Cyr l'Ecole (France); Dupre, S.; Momique, J.C. [PSA Peugeot Citroen, Centre Technique de Velizy, Route de Gizy, 78943 Velizy-Villacoublay (France)

2008-08-15

361

Computational Chemistry for Chemistry Educators  

NSDL National Science Digital Library

In this paper we describe an ongoing project where the goal is to develop competence and confidence among chemistry faculty so they are able to utilize computational chemistry as an effective teaching tool. Advances in hardware and software have made research-grade tools readily available to the academic community. Training is required so that faculty can take full advantage of this technology, begin to transform the educational landscape, and attract more students to the study of science.

Sendlinger, Shawn C.; Metz, Clyde R.

362

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

NASA Astrophysics Data System (ADS)

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.

Palomo, C. M.; Yan, B.

2013-12-01

363

Hydrocarbon conversion process  

SciTech Connect

1. A combination process is described for producing high octane blending components for gasolines which consists of (a) contacting a mixture of methanol and an olefinic C/sub 4/ cut comprising isobutene, 1-butene, and 2-butenes under etherification conditions to produce methyltertiarybutyl ether and unreacted C/sub 4/ olefinic hydrocarbons, (b) contacting the unreacted C/sub 4/ olefinic hydrocarbons with a molecular sieve to selectively adsorb 2-butenes leaving a stream comprising 1-butene, (c) subjecting at least a portion of the 1-butene stream to skeletal isomerization to form isobutene, (d) subjecting the remainder of the 1-butene stream to double bond isomerization to form 2-butenes, and (e) passing the 2-butenes formed by isomerization and an isoparaffin to alkylation to form alkylate.

Hutson, T. Jr.; Hann, P.D.

1986-04-08

364

Membrane separation of hydrocarbons  

DOEpatents

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

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

1986-01-01

365

Fifteenth combustion research conference  

SciTech Connect

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

NONE

1993-06-01

366

External combustion rotary engine  

Microsoft Academic Search

A rotary piston external combustion engine is described comprising: means for compressing air and expanding combusted gas; a shaft connected to the compressing and expanding means for delivering power by means of an external drive shaft; an air inlet port opening for admitting ambient air in the air compressing means; an outlet valve for venting the compressed air out when

1988-01-01

367

Internal combustion engine  

Microsoft Academic Search

This patent describes an internal combustion engine of the two-cycle type. It comprises a cylinder, a piston slidable within the cylinder, a cylinder head to seal the cylinder at the top, thereby defining a combustion chamber, a crankshaft means to provide reciprocating motion to the piston, a lubricating means to lubricate the crankshaft, a sealing means around the bottom of

Van Blaricom

1992-01-01

368

Coal Combustion Science  

SciTech Connect

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

Hardesty, D.R. (ed.); Fletcher, T.H.; Hurt, R.H.; Baxter, L.L. (Sandia National Labs., Livermore, CA (United States))

1991-08-01

369

Liquid Oxygen Cooling of Hydrocarbon Fueled Rocket Thrust Chambers  

NASA Technical Reports Server (NTRS)

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

Armstrong, Elizabeth S.

1989-01-01

370

FROZEN HYDROCARBONS IN COMETS  

SciTech Connect

Recent investigations of the luminescence of frozen hydrocarbon particles of icy cometary halos have been carried out. The process of luminescence of organic icy particles in a short-wavelength solar radiation field is considered. A comparative analysis of observed and laboratory data leads to 72 luminescent emission lines in the spectrum of the comet 153P/Ikeya-Zhang. The concept of cometary relict matter is presented, and the creation of a database of unidentified cometary emission lines is proposed.

Simonia, Irakli, E-mail: irakli.simonia@jcu.edu.au [School of Graduate Studies, Ilia State University, 3/5 Cholokashvili Street, Tbilisi, 0162 (Georgia); Center for Astronomy, James Cook University, Townsville QLD 4811 (Australia)

2011-02-15

371

Combustion of volatile matter during the initial stages of coal combustion  

SciTech Connect

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

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

1990-08-01

372

Chemistry of the outer planets  

NASA Technical Reports Server (NTRS)

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.

Scattergood, Thomas W.

1992-01-01

373

Position: Assistant Professor of Chemistry, Physical Chemistry  

E-print Network

John Grey Position: Assistant Professor of Chemistry, Physical Chemistry Email: jkgrey@unm.edu Phone: 505.277.1658; Fax: 505.277.2609 Office: Clark Hall B70 Homepage: http://chemistry.unm.edu/faculty_web/jgrey Education B.S. in Chemistry, 1999, Michigan Technological University, Houghton, MI Ph.D. in Chemistry

374

CHEMISTRY 107-01 GENERAL CHEMISTRY I  

E-print Network

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

Findley, Gary L.

375

Radical scavengers from heavy hydrocarbons  

SciTech Connect

The hydrogen-donating properties of some hydrocarbons form the basis for processes such as coal liquefaction and heavy oil upgrading. However, these hydrocarbons have seldom been used for other purposes, because their potential applications have not been well recognized. Research has indicated that these hydrogen-donating hydrocarbons can be used in important reactions as radical scavengers and have properties particular to those of pure hydrocarbons without functional groups containing heteroatoms. Over years of study researchers have found that pure hydrocarbons with radical-scavenging effects nearly as high as those in conventional hindered phenolic antioxidants can be produced from petroleum, and these hydrogen-donating hydrocarbons exhibit such effects even in oxidative atmospheres (i.e., they function as antioxidants). He has also shown that these mixtures have some properties particular to pure hydrocarbons without functional groups containing heteroatoms, and they`ve seen that a mechanism based on the steric effects appears when these hydrocarbons are used in heavy oil hydroprocessing. Hydrogen-donating hydrocarbons should be a viable resource in many applications. In this article, he presents radical-scavenging abilities, characteristics as pure hydrocarbons, and applications on the basis of the studies.

Kubo, Junichi [Nippon Oil Co. Ltd. (Japan)

1996-10-01

376

Ultra-lean combustion at high inlet temperatures  

NASA Technical Reports Server (NTRS)

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.

Anderson, D. N.

1981-01-01

377

Kitchen Chemistry  

NSDL National Science Digital Library

There is a great deal of chemistry going on in every kitchen, even though most cooks may not be cognizant of the various interactions going on in the pot, wok, or oven. MIT's popular OpenCourseWare Initiative has recently made the contents of Dr. Patricia Christie's course on kitchen chemistry available on this site. Visitors to the site can download the syllabus, take in some assigned readings (and recipes), and look over the assignments. The assignments include investigations that involve emulsifiers, ice cream, peer teaching, and pancakes, among other things. The site also includes links to helpful readings, such as those on chocolate, the health benefits of capsicum, and the world of gluten. For people who wish to bring back the frayed connective tissue between chemistry and the culinary arts, this site is absolutely essential.

Christie, Patricia

2006-01-01

378

Chemistry & Industry  

NSDL National Science Digital Library

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

1997-01-01

379

Chemistry Now  

NSDL National Science Digital Library

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

2012-08-17

380

Chemistry & Industry  

NSDL National Science Digital Library

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

2006-01-11

381

Numerical modeling of hydrogen-fueled internal combustion engines  

SciTech Connect

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

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

1996-12-31

382

Turbulence modeling in supersonic combusting flows  

NASA Technical Reports Server (NTRS)

To support the National Aerospace Plane project, the RPLUS3D CFD code has been developed at NASA Lewis. The code has the ability to solve three-dimensional flowfields with finite rate combustion of hydrogen and air. The combustion processes of the hydrogen-air system are simulated by an 18-reaction path, 8-species chemical kinetic mechanism. The code uses a Lower-Upper (LU) decomposition numerical algorithm as its basis, making it a very efficient and robust code. Except for the Jacobian matrix for the implicit chemistry source terms, there is no inversion of a matrix even though it uses a fully implicit numerical algorithm. A k-epsilon (two equation) turbulence model is incorporated into the RPLUS3D code.

Chitsomboon, Tawit

1991-01-01

383

Rocket combustion chamber life-enhancing design concepts  

NASA Technical Reports Server (NTRS)

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

Quentmeyer, Richard J.

1990-01-01

384

Laser ignition in internal-combustion engines: Sparkless initiation  

NASA Astrophysics Data System (ADS)

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

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

2014-08-01

385

Rocket combustion chamber life-enhancing design concepts  

SciTech Connect

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

Quentmeyer, R.J.

1990-07-01

386

The acoustic model of oscillations of gas combustion in coaxial pipes  

NASA Astrophysics Data System (ADS)

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

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

2014-11-01

387

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

PubMed Central

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

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

2012-01-01

388

Low temperature formation of naphthalene and its role in the synthesis of PAHs (polycyclic aromatic hydrocarbons) in the interstellar medium.  

PubMed

Polycyclic aromatic hydrocarbons (PAHs) are regarded as key molecules in the astrochemical evolution of the interstellar medium, but the formation mechanism of even their simplest prototype-naphthalene (C(10)H(8))-has remained an open question. Here, we show in a combined crossed beam and theoretical study that naphthalene can be formed in the gas phase via a barrierless and exoergic reaction between the phenyl radical (C(6)H(5)) and vinylacetylene (CH(2) = CH-C ? CH) involving a van-der-Waals complex and submerged barrier in the entrance channel. Our finding challenges conventional wisdom that PAH-formation only occurs at high temperatures such as in combustion systems and implies that low temperature chemistry can initiate the synthesis of the very first PAH in the interstellar medium. In cold molecular clouds, barrierless phenyl-type radical reactions could propagate the vinylacetylene-mediated formation of PAHs leading to more complex structures like phenanthrene and anthracene at temperatures down to 10 K. PMID:22198769

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

2012-01-01

389

Internal combustion engine with rotary combustion chamber  

Microsoft Academic Search

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

C. N. Hansen; P. C. Cross

1986-01-01

390

Internal combustion engine with rotary combustion chamber  

Microsoft Academic Search

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

C. N. Hansen; P. C. Cross

1988-01-01

391

Combustion control system for internal combustion engines  

Microsoft Academic Search

This patent describes a modified spark plug for internal combustion engines comprising: a base made of an electrically conductive material and adapted to be installed in the engine; an insulator disposed within the base and having a precombustion chamber formed therein; a central electrode passing through the insulator, extending into the precombustion chamber and defining a passageway in communication with

1988-01-01

392

/6582 Biophysical Chemistry Fall Biophysical Chemistry  

E-print Network

/6582 Biophysical Chemistry Fall 1 CHEM /6582 Biophysical Chemistry Course meeting place concepts in biophysical chemistry. You will develop an understanding of how thermodynamics, kinetics literature concerning the application of biophysical techniques to characterize biological molecules

Sherrill, David

393

Structure of divided combustion chamber for internal combustion engine  

Microsoft Academic Search

This patent describes a structure defining a divided combustion chamber of an internal combustion engine, comprising an upper ceramic member, and a lower ceramic member having a transfer passage which communicates with a main combustion chamber of the engine. The upper and lower ceramic members meet with each other at an interface to form divided combustion chamber such that it

Y. Ogawa; T. Ogasawara; S. Hanzawa

1987-01-01

394

Inert hydrocarbon-based refrigerants  

Microsoft Academic Search

This paper determines the flammability properties of two hydrocarbon blends, natural gas and propane–butane refrigerant, mixed with CF3I and C3F7H inerting agents. Four flammability envelopes are obtained allowing the determination of the minimum inerting concentrations and the maximum hydrocarbon to suppressant weight ratios for formulating non-flammable hydrocarbon refrigerants. These ratios are calculated from the slopes of lines drawn from the

B. Z. Dlugogorski; R. K. Hichens; E. M. Kennedy

2002-01-01

395

Chemistry Activities  

NSDL National Science Digital Library

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

396

Definition Chemistry  

E-print Network

1 · Definition · Chemistry · Factors · Mitigation MinE 422 Acid Rock Drainage Online `Gard Guide is a great source of information Terminology · acid rock drainage (ARD) · saline drainage (SD) · acid mine or acid and metalliferous drainage (AMD) · mining influenced water (MIW) · neutral mine drainage (NMD

Boisvert, Jeff

397

Chemistry Notes.  

ERIC Educational Resources Information Center

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

School Science Review, 1982

1982-01-01

398

Atmospheric Chemistry  

NSDL National Science Digital Library

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

399

Countertop Chemistry  

NSDL National Science Digital Library

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

400

Chemistry Notes.  

ERIC Educational Resources Information Center

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

School Science Review, 1983

1983-01-01

401

Chemistry Notes.  

ERIC Educational Resources Information Center

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

School Science Review, 1978

1978-01-01

402

Common Chemistry  

NSDL National Science Digital Library

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

Chemical Abstracts Service (CAS)

403

Chemistry Notes  

ERIC Educational Resources Information Center

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

School Science Review, 1976

1976-01-01

404

Chlorine Chemistry  

NSDL National Science Digital Library

From poolcenter.com comes the Chlorine Chemistry Web site. Ten questions related to chlorine are answered such as What's the History of Chlorine, How Does Chlorine Work to Sanitize, and What Effect Does pH Have on Chlorine. Each is briefly explained in simple and non-technical language.

405

Bad Chemistry  

NSDL National Science Digital Library

This site from the Princeton Section of the American Chemical Society consists of articles about common chemical misconceptions along with examinations of the scientific explanation. The purpose of this page is to reveal common misconceptions in the field of Chemistry. The intended audience is secondary school students and their teachers. The page is at present just beginning, and additions are welcome.

Lehmann, Kevin; University, Princeton

406

Chemistry Notes.  

ERIC Educational Resources Information Center

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

School Science Review, 1983

1983-01-01

407

Non-Controlled Emission of Light Hydrocarbons (C2-C6) to the Atmosphere From Arico's Landfill, Tenerife, Canary Islands, Spain  

Microsoft Academic Search

Light hydrocarbons play a significant role in the atmospheric chemistry because some of them act as precursors of photochemical smog production. Landfill gas is constituted by a large number of hydrocarbons and their oxidation products, as well as others organic compounds. In order to control the migration and emission of landfill gas through the landfill surface and adjacent rock, gas

S. Dionis; Y. Bernardos; C. Estevez; R. Lima; J. Salazar; P. Hernandez; N. Perez

2001-01-01

408

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

Microsoft Academic Search

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

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

1990-01-01

409

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

Microsoft Academic Search

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

C. Gruenig; F. Mayinger

1999-01-01

410

Combustion and Gas Dynamics as Related to Pulse-Detonation Engine  

Microsoft Academic Search

Recent renewed interest in initiating detonation as a favorable combustion process prompted the authors to examine the method of calculation of the process of detonation of premixed hydro-carbon fuel-air mixture. As a prospective propulsive device, the unsteady inviscid flow field behind the detonation wave within a pulse detonation engine was also examined. Although the flow field can be explored through

W. L. CHOW; CHRIS YIANNA

411

Thermogravimetric investigation on characteristic of biomass combustion under the effect of organic calcium compounds.  

PubMed

Experiments were conducted in a thermogravimetric analyzer to investigate thermal behavior of different organic calcium compounds (OCCs) and its blended fuels with three kinds of biomass. The effectiveness of synthesized method for OCC was assessed by the pyrolysis test. Effect of the mole ratio of calcium to sulfur on co-combustion characteristics was studied. Results indicated that preparation method of modified calcium acetate (MCA) had high precision and accuracy. Co-combustion characteristic of OCCs blended with biomass was controlled by OCCs' additive amount and the content of volatile matter which is mainly composed of small hydrocarbon molecules. Combustion performance indexes for peanut shell and wheat straw impregnated by OCCs were improved, however, an inverse trend was found for rice husk because of lower additive amount of OCCs. The blended fuel show higher combustion performance indexes compared with combustion of individual biomass, and these indexes decrease with increases of Ca/S ratio. PMID:25459819

Zhang, Lihui; Duan, Feng; Huang, Yaji

2014-10-23

412

Winged reentrant electromagnetic combustion chamber  

Microsoft Academic Search

An internal combustion engine combustion chamber suitable for electromagnetic stimulation of combustion which has been improved by the addition of combustion chamber periphery extensions (wings) filled with dielectric material. The wing dimensions and filler dielectric material are chosen to allow for specification of the chamber EM resonant frequency, preferably at a frequency in the UHF range (where low cost DC

M. A. V

1985-01-01

413

Chemistry Gateways and Resources  

NSDL National Science Digital Library

The Chemistry Gateways and Resources collection is comprised of chemistry-related web portals, web sites, and individual digital resources pertaining to many areas of the discipline - general chemistry, organic and inorganic chemistry, physical chemistry, and others - and intended for a wide range of audiences: educators and learners, the general public, and chemistry research communities.

2008-03-14

414

Auto-ignition of hydrocarbons behind reflected shock waves.  

NASA Technical Reports Server (NTRS)

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.

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

1972-01-01

415

Heavy Lift Launch Capability with a New Hydrocarbon Engine  

NASA Technical Reports Server (NTRS)

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.

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

2011-01-01

416

Fundamental combustion and diagnostics research at Sandia. Progress Report from January-March 1980  

SciTech Connect

The combustion research at Sandia Laboratories sponsored by the Office of Basic Energy Sciences (OBES) emphasizes basic research into fundamental problems associated with combustion. Special emphasis is placed on the development and application of advanced research methods. The overall program addresses: (1) detailed chemistry of combustion, (2) fundamental processes associated with laminar and turbulent flames, (3) development of research techniques specifically applicable to combustion environments, and (4) operation of the user-oriented Combustion Research Facility. This report presents status reports on the research sponsored by OBES. The first section contains activities in Combustion Research, the second section contains activities in Molecular Physics and Spectroscopy, and the third section contains activities in Diagnostics Research.

Hartley, D.L.; Gusinow, M.A.

1980-06-01

417

Radical cations in radiation chemistry of liquid hydrocarbons  

SciTech Connect

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

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

1996-07-01

418

Studies in premixed combustion  

SciTech Connect

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

Sivashinsky, G.I.

1992-01-01

419

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

PubMed Central

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

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

2011-01-01

420

Engineering Chlorinated hydrocarbons such as trichloroethylene  

E-print Network

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

421

Combustion in fluidized beds  

Microsoft Academic Search

Circulating fluidized-bed (CFB) combustion systems have become popular since the late 1970s, and, given the current level of activity in the area,it is clear that this technology has a stable future in the boiler market. For standard coal combustion applications, competition is fierce with mature pulverized-fuel-based (PF) technology set to maintain a strong profile. CFB systems, however, can be more

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

1990-01-01

422

Analysis of Lean Premixed/Prevaporized Combustion with KIVA-2  

NASA Technical Reports Server (NTRS)

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.

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

1994-01-01

423

Chemistry in Titan  

NASA Astrophysics Data System (ADS)

Modelling the chemical composition of Titan's ionosphere is a very challenging issue. Latest works perform either inversion of CASSINI's INMS mass spectra (neutral[1] or ion[2]), or design coupled ion-neutral chemistry models[3]. Coupling ionic and neutral chemistry has been reported to be an essential feature of accurate modelling[3]. Electron Dissociative Recombination (EDR), where free electrons recombine with positive ions to produce neutral species, is a key component of ion-neutral coupling. There is a major difficulty in EDR modelling: for heavy ions, the distribution of neutral products is incompletely characterized by experiments. For instance, for some hydrocarbon ions only the carbon repartition is measured, leaving the hydrogen repartition and thus the exact neutral species identity unknown[4]. This precludes reliable deterministic modelling of this process and of ion-neutral coupling. We propose a novel stochastic description of the EDR chemical reactions which enables efficient representation and simulation of the partial experimental knowledge. The description of products distribution in multi-pathways reactions is based on branching ratios, which should sum to unity. The keystone of our approach is the design of a probability density function accounting for all available informations and physical constrains. This is done by Dirichlet modelling which enables one to sample random variables whose sum is constant[5]. The specifics of EDR partial uncertainty call for a hierarchiral Dirichlet representation, which generalizes our previous work[5]. We present results on the importance of ion-neutral coupling based on our stochastic model. C repartition H repartition (measured) (unknown ) â?? C4H2 + 3H2 + H .. -â?? C4 . â?? C4H2 + 7H â?? C3H8. + CH C4H+9 + e- -â?? C3 + C .. â?? C3H3 + CH2 + 2H2 â?? C2H6 + C2H2 + H .. -â?? C2 + C2 . â?? 2C2H2 + 2H2 + H (1) References [1] J. Cui, R.V. Yelle, V. Vuitton, J.H. Waite Jr., W.T. Kasprzak, D.A. Gell, H.B. Niemann, I.C.F. Müller-Wodarg, N. Borggren, G.G. Fletcher, E.L. Patrick, E. Raaen, and B.A. Magee. Analysis of Titan's neutral upper atmosphere from Cassini ion neutral mass spectrometer measurements. Icarus, In Press, Accepted Manuscript:-, 2008. [2] V. Vuitton, R. V. Yelle, and M.J. McEwan. Ion chemistry and N-containing molecules in Titan's upper atmosphere. Icarus, 191:722-742, 2007. [3] V. De La Haye, J.H. Waite Jr., T.E. Cravens, I.P. Robertson, and S. Lebonnois. Coupled ion and neutral rotating model of Titan's upper atmosphere. Icarus, 197(1):110 - 136, 2008. [4] J. B. A. Mitchell, C. Rebrion-Rowe, J. L. Le Garrec, G. Angelova, H. Bluhme, K. Seiersen, and L. H. Andersen. Branching ratios for the dissociative recombination of hydrocarbon ions. I: The cases of C4H9+ and C4H5+. International Journal of Mass Spectrometry, 227(2):273-279, June 2003. [5] N. Carrasco and P. Pernot. Modeling of branching ratio uncertainty in chemical networks by Dirichlet distributions. Journal of Physical Chemistry A, 11(18):3507-3512, 2007.

Plessis, S.; Carrasco, N.; Pernot, P.

2009-04-01

424

Thermophysical Properties of Hydrocarbon Mixtures  

National Institute of Standards and Technology Data Gateway

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

425

Condensation of hydrocarbons – A review  

Microsoft Academic Search

Hydrocarbons are one of the candidates for refrigerants of next generation heat pump and refrigeration systems. Although the hydrocarbons have superior thermophysical properties as a refrigerant to fluorocarbons and are widely used in domestic refrigerators, their flammability prevents their wide application to larger systems, such as residential and packaged air conditioners, car air conditioners, heat pumps, etc. In this paper,

Akio Miyara

2008-01-01

426

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

SciTech Connect

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

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

1996-09-01

427

Chemistry 411/611 Inorganic Chemistry (2011)  

E-print Network

1 Chemistry 411/611 Inorganic Chemistry (2011) Instructor: Assistant Professor Mathew M. Maye Chemistry", 5th Edition, Freeman Press. Available at SU bookstore. The solution manual is optional. (Suggested for CHE611 Students pursuing Inorganic) Huheey, "Inorganic Chemistry: Principles of Structure

Mather, Patrick T.

428

Chemistry 675 (CHE 675) Advanced Organic Chemistry  

E-print Network

Chemistry 675 (CHE 675) Advanced Organic Chemistry Fall Semester 2011 Professor James Hougland675 is a graduate-level organic chemistry course that can be continued in the Spring semester as CHE685. These two courses focus on physical organic chemistry, which deals with the structure

Mather, Patrick T.

429

SYLLABUS for CHEMISTRY 2310 ORGANIC CHEMISTRY 1  

E-print Network

SYLLABUS for CHEMISTRY 2310 ORGANIC CHEMISTRY 1 Lectures: Monday, Wednesday and Friday 8:35 AM-9 · Highly Recommended Equipment: Turning Point Clicker · Highly Recommended: (1) "Organic Chemistry I Homework. · Class Objective: To study and begin to understand organic chemistry · Methods: Lectures

Simons, Jack

430

SYLLABUS CHEMISTRY 5710 ADVANCED ORGANIC CHEMISTRY LABORATORY  

E-print Network

SYLLABUS CHEMISTRY 5710 ADVANCED ORGANIC CHEMISTRY LABORATORY T, Th 9:40AM-10:30AM HEB 2006 understanding of organic chemistry. Methods: lectures, problem solving, laboratory experiments, laboratory reports, Prerequisites: Organic Chemistry II and Lab (Chem 2320 and Chem 2325) DATES (Approximate (except

Simons, Jack

431

ORGANIC CHEMISTRY UCLA Organic Chemistry Faculty  

E-print Network

ORGANIC CHEMISTRY UCLA Organic Chemistry Faculty perform research in molecular machines, exotic Harran, Professor and D.J. & J.M Cram Chair in Organic Chemistry: The Harran Group explores new, Distinguished Professor and Saul Winstein Chair in Organic Chemistry: The Houk Group develops qualitative rules

Levine, Alex J.

432

CHEMISTRY DEPARTMENT Chem 315 (Honors Organic Chemistry)  

E-print Network

CHEMISTRY DEPARTMENT Chem 315 (Honors Organic Chemistry) Fall 2014 Important Registration Information Admission to Honors Organic Chemistry (Fall 2014) is restricted to the following students are interested in taking CHE315 in the fall should register for Organic Chemistry CHE307 and apply for admission

Lawson, Catherine L.

433

Computational chemistry  

NASA Technical Reports Server (NTRS)

With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

Arnold, J. O.

1987-01-01

434

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)

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.

Kireeva, N. A.; Novoselova, E. I.; Shamaeva, A. A.; Grigoriadi, A. S.

2009-04-01

435

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...

436

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

ERIC Educational Resources Information Center

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…

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

2014-01-01

437

Aust. J. Mar. Freshw. Res., 1984, 35, 119-28 Aromatic Hydrocarbons in Waters of  

E-print Network

), and there are oil refineries on the shore. In this environment, input of aromatic hydrocarbons from petroleum and the Yarra River Estuary J. David Smith and William A. MaherA Marine Chemistry Laboratory, School wide distribution of fuel oils with only a small contribution from crude oil. Oil concentrations

Canberra, University of

438

Effects of ambient conditions and fuel composition on combustion stability  

SciTech Connect

Recent regulations on NO, emissions are promoting the use of lean premix (LPM) combustion for industrial gas turbines. LPM combustors avoid locally stoichiometric combustion by premixing fuel and the air upstream of the reaction region, thereby eliminating the high temperatures that produce thermal NO.. Unfortunately, this style of combustor is prone to combustion oscillation. Significant pressure fluctuations can occur when variations in heat release periodically couple pressure to acoustic modes in the combustion chamber. These oscillations must be controlled because resulting vibration can shorten the life of engine hardware. Laboratory and engine field testing have shown that instability regimes can vary with environmental conditions. These observations prompted this study of the effects of ambient conditions and fuel composition on combustion stability. Tests are conducted on a sub-scale combustor burning natural gas, propane, and some hydrogen/hydrocarbon mixtures. A premix, swirl-stabilized fuel nozzle typical of industrial gas turbines is used. Experimental and numerical results describe how stability regions may shift as inlet air temperature, humidity, and fuel composition are altered. Results appear to indicate that shifting instability instability regimes are primarily caused by changes in reaction rate.

Janus, M.C.; Richards, G.A.; Yip, M.J. [USDOE Federal Energy Technology Center, Morgantown, WV (United States); Robey, E.H. [EG& G Technical Services of West Virginia (United States)

1997-04-01

439

Polycyclic aromatic hydrocarbon molecules in astrophysics  

NASA Astrophysics Data System (ADS)

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

Rastogi, Shantanu; Pathak, Amit; Maurya, Anju

2013-06-01

440

Femtosecond laser induced breakdown for combustion diagnostics  

SciTech Connect

The focused beam of a 100 fs, 800 nm laser is used to induce a spark in some laminar premixed air-methane flames operating with variable fuel content (equivalence ratio). The analysis of the light escaping from the plasma revealed that the Balmer hydrogen lines, H{sub {alpha}} and H{sub {beta}}, and some molecular origin emissions were the most prominent spectral features, while the CN ({Beta}{sup 2}{Sigma}{sup +}-{Chi}{sup 2}{Sigma}{sup +}) band intensity was found to depend linearly with methane content, suggesting that femtosecond laser induced breakdown spectroscopy can be a useful tool for the in-situ determination and local mapping of fuel content in hydrocarbon-air combustible mixtures.

Kotzagianni, M. [Department of Physics, University of Patras, 26504 Patras (Greece); Institute of Chemical Engineering and High Temperature Chemical Processes (ICE-HT), Foundation for Research and Technology-Hellas (FORTH), 26504 Patras (Greece); Couris, S. [Department of Physics, University of Patras, 26504 Patras (Greece); Institute of Chemical Engineering and High Temperature Chemical Processes (ICE-HT), Foundation for Research and Technology-Hellas (FORTH), 26504 Patras (Greece); Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), Universite de Bourgogne, 21078 Dijon Cedex (France)

2012-06-25

441

The Combustive Sound Source  

NASA Astrophysics Data System (ADS)

This thesis describes a unique type of low frequency underwater sound source, the Combustive Sound Source (CSS). The fundamental operating principle of CSS is the following: Electrolysis of water produces hydrogen and oxygen gas, which is a combustible mixture. The gas mixture is captured in a combustion chamber and ignited with a spark. The ensuing combustion produces expanding gases which in turn produce high intensity, low frequency acoustic pulses. The thesis begins by discussing the background of the project and initial feasibility work. It continues by briefly discussing electrolysis and gas production. Fundamental combustion theory is discussed, along with two experiments that relate the acoustic output of CSS to theory. Additional experiments were conducted in order to compare the first bubble period in the CSS pressure signature with the predictions of the Rayleigh-Willis equation. The dependence of the radiated acoustic waveform on the volume and depth of the bubble was investigated. The first bubble period of the CSS pressure signature agrees with Rayleigh-Willis theory in trend, but not in absolute value. Empirical equations are presented which predict the first bubble period for three different situations, a depth of nine meters for various stoichiometric volumes, a stoichiometric volume of 0.5 STP liters for various depths, and a stoichiometric volume of 500 cubic centimeters for various depths. High speed filming of the CSS bubble is presented. The high speed films confirm that CSS produces a bubble of high temperature combustion products. The bubble oscillates and generates acoustic output. The motion of the bubble is shown to be related to the acoustic output in the classic manner, with pressure peaks associated with minimum bubble volumes. Finally, several other factors that affect the acoustic output of CSS are discussed. These include the shape of the CSS combustion chamber, the ignition source, the oxidizer, the presence of high pressure bubble collapses, and the presence of high frequency components.

Wilson, Preston S.

1994-04-01

442

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

Microsoft Academic Search

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

J. F. Uthe; C. J. Musial

1986-01-01

443

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

Microsoft Academic Search

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

Chantal Caux; Cindy OBrien; Claude Viau

2002-01-01

444

Computational Chemistry and Lubrication  

NASA Technical Reports Server (NTRS)

Members of NASA Lewis Research Center's Tribology and Surface Science Branch are applying high-level computational chemistry techniques to the development of new lubrication systems for space applications and for future advanced aircraft engines. The next generation of gas turbine engines will require a liquid lubricant to function at temperatures in excess of 350 C in oxidizing environments. Conventional hydrocarbon-based lubricants are incapable of operating in these extreme environments, but a class of compounds known as the perfluoropolyether (PFAE) liquids (see the preceding illustration) shows promise for such applications. These commercially available products are already being used as lubricants in conditions where low vapor pressure and chemical stability are crucial, such as in satellite bearings and composite disk platters. At higher temperatures, however, these compounds undergo a decomposition process that is assisted (catalyzed) by metal and metal oxide bearing surfaces. This decomposition process severely limits the applicability of PFAE's at higher temperatures. A great deal of laboratory experimentation has revealed that the extent of fluid degradation depends on the chemical properties of the bearing surface materials. Lubrication engineers would like to understand the chemical breakdown mechanism to design a less vulnerable PFAE or to develop a chemical additive to block this degradation.

Zehe, Michael J.

1998-01-01

445

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

NASA Astrophysics Data System (ADS)

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

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

2015-01-01

446

Ignition and combustion of bulk metals in a microgravity environment  

NASA Technical Reports Server (NTRS)

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.

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

1994-01-01

447

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

PubMed

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. PMID:21236534

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

2011-04-01

448

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

NASA Astrophysics Data System (ADS)

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

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

2014-06-01

449

Experimental study of gas turbine combustion with elevated fuel temperatures  

NASA Astrophysics Data System (ADS)

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

Wiest, Heather K.

450

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

NASA Astrophysics Data System (ADS)

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.

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

2014-02-01

451

Tailoring next-generation biofuels and their combustion in next-generation engines.  

SciTech Connect

Increasing energy costs, the dependence on foreign oil supplies, and environmental concerns have emphasized the need to produce sustainable renewable fuels and chemicals. The strategy for producing next-generation biofuels must include efficient processes for biomass conversion to liquid fuels and the fuels must be compatible with current and future engines. Unfortunately, biofuel development generally takes place without any consideration of combustion characteristics, and combustion scientists typically measure biofuels properties without any feedback to the production design. We seek to optimize the fuel/engine system by bringing combustion performance, specifically for advanced next-generation engines, into the development of novel biosynthetic fuel pathways. Here we report an innovative coupling of combustion chemistry, from fundamentals to engine measurements, to the optimization of fuel production using metabolic engineering. We have established the necessary connections among the fundamental chemistry, engine science, and synthetic biology for fuel production, building a powerful framework for co-development of engines and biofuels.

Gladden, John Michael; Wu, Weihua; Taatjes, Craig A.; Scheer, Adam Michael; Turner, Kevin M.; Yu, Eizadora T.; O'Bryan, Greg; Powell, Amy Jo; Gao, Connie W. [Massachusetts Institute of Technology, Cambridge, MA] [Massachusetts Institute of Technology, Cambridge, MA

2013-11-01

452

Environmentally conscious coal combustion  

SciTech Connect

This is the final report of a one-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The objective of this project was to evaluate the environmental impacts of home-scale coal combustion on the Navajo Reservation and develop strategies to reduce adverse health effects associated with home-scale coal combustion. Principal accomplishments of this project were: (1) determination of the metal and gaseous emissions of a representative stove on the Navajo Reservation; (2) recognition of cyclic gaseous emissions in combustion in home-scale combustors; (3) `back of the envelope` calculation that home-scale coal combustion may impact Navajo health; and (4) identification that improved coal stoves require the ability to burn diverse feedstocks (coal, wood, biomass). Ultimately the results of Navajo home-scale coal combustion studies will be extended to the Developing World, particularly China, where a significant number (> 150 million) of households continue to heat their homes with low-grade coal.

Hickmott, D.D.; Brown, L.F.; Currier, R.P. [and others

1997-08-01

453

Combustion in fluidized beds  

SciTech Connect

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

Dry, F.J.; La Nauze, R.D. (CSIRO, Div. of Mineral and Process Engineering, Clayton, Victoria 3168 (AU))

1990-07-01

454

Microgravity Combustion Diagnostics Workshop  

NASA Technical Reports Server (NTRS)

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

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

1988-01-01

455

High efficiency RCCI combustion  

NASA Astrophysics Data System (ADS)

An experimental investigation of the pragmatic limits of Reactivity Controlled Compression Ignition (RCCI) engine efficiency was performed. The study utilized engine experiments combined with zero-dimensional modeling. Initially, simulations were used to suggest conditions of high engine efficiency with RCCI. Preliminary simulations suggested that high efficiency could be obtained by using a very dilute charge with a high compression ratio. Moreover, the preliminary simulations further suggested that with simultaneous 50% reductions in heat transfer and incomplete combustion, 60% gross thermal efficiency may be achievable with RCCI. Following the initial simulations, experiments to investigate the combustion process, fuel effects, and methods to reduce heat transfer and incomplete combustion reduction were conducted. The results demonstrated that the engine cycle and combustion process are linked, and if high efficiency is to be had, then the combustion event must be tailored to the initial cycle conditions. It was found that reductions to engine heat transfer are a key enabler to increasing engine efficiency. In addition, it was found that the piston oil jet gallery cooling in RCCI may be unnecessary, as it had a negative impact on efficiency. Without piston oil gallery cooling, it was found that RCCI was nearly adiabatic, achieving 95% of the theoretical maximum cycle efficiency (air standard Otto cycle efficiency).

Splitter, Derek A.

456

Hydrocarbons in Washington coastal sediments  

NASA Astrophysics Data System (ADS)

The sources and distributions of polycyclic aromatic hydrocarbons (PAH) and aliphatic hydrocarbons are characterized in seventeen sediments from a highly river-influenced sedimentary environment off the southwester