Science.gov

Sample records for combustion kinetics project

  1. HIGH PRESSURE COAL COMBUSTION KINETICS PROJECT

    SciTech Connect

    Chris Guenther; Bill Rogers

    2001-09-15

    The HPCCK project was initiated with a kickoff meeting held on June 12, 2001 in Morgantown, WV, which was attended by all project participants. SRI's existing g-RCFR reactor was reconfigured to a SRT-RCFR geometry (Task 1.1). This new design is suitable for performing the NBFZ experiments of Task 1.2. It was decided that the SRT-RCFR apparatus could be modified and used for the HPBO experiments. The purchase, assembly, and testing of required instrumentation and hardware is nearly complete (Task 1.1 and 1.2). Initial samples of PBR coal have been shipped from FWC to SRI (Task 1.1). The ECT device for coal flow measurements used at FWC will not be used in the SRI apparatus and a screw type feeder has been suggested instead (Task 5.1). NEA has completed a upgrade of an existing Fluent simulator for SRI's RCFR to a version that is suitable for interpreting results from tests in the NBFZ configuration (Task 1.3) this upgrade includes finite-rate submodels for devolatilization, secondary volatiles pyrolysis, volatiles combustion, and char oxidation. Plans for an enhanced version of CBK have been discussed and development of this enhanced version has begun (Task 2.5). A developmental framework for implementing pressure and oxygen effects on ash formation in an ash formation model (Task 3.3) has begun.

  2. HIGH PRESSURE COAL COMBUSTION KINETICS PROJECT

    SciTech Connect

    Chris Guenther, Ph.D.

    2003-01-28

    SRI has completed the NBFZ test program, made modification to the experimental furnace for the HPBO test. The NBFZ datasets provide the information NEA needs to simulate the combustion and fuel-N conversion with detailed chemical reaction mechanisms. BU has determined a linear swell of 1.55 corresponding to a volumetric increase of a factor of 3.7 and a decrease in char density by the same factor. These results are highly significant, and indicate significantly faster burnout at elevated pressure due to the low char density and large diameter.

  3. Chemical Looping Combustion Kinetics

    SciTech Connect

    Edward Eyring; Gabor Konya

    2009-03-31

    One of the most promising methods of capturing CO{sub 2} emitted by coal-fired power plants for subsequent sequestration is chemical looping combustion (CLC). A powdered metal oxide such as NiO transfers oxygen directly to a fuel in a fuel reactor at high temperatures with no air present. Heat, water, and CO{sub 2} are released, and after H{sub 2}O condensation the CO{sub 2} (undiluted by N{sub 2}) is ready for sequestration, whereas the nickel metal is ready for reoxidation in the air reactor. In principle, these processes can be repeated endlessly with the original nickel metal/nickel oxide participating in a loop that admits fuel and rejects ash, heat, and water. Our project accumulated kinetic rate data at high temperatures and elevated pressures for the metal oxide reduction step and for the metal reoxidation step. These data will be used in computational modeling of CLC on the laboratory scale and presumably later on the plant scale. The oxygen carrier on which the research at Utah is focused is CuO/Cu{sub 2}O rather than nickel oxide because the copper system lends itself to use with solid fuels in an alternative to CLC called 'chemical looping with oxygen uncoupling' (CLOU).

  4. Combustion kinetics and reaction pathways

    SciTech Connect

    Klemm, R.B.; Sutherland, J.W.

    1993-12-01

    This project is focused on the fundamental chemistry of combustion. The overall objectives are to determine rate constants for elementary reactions and to elucidate the pathways of multichannel reactions. A multitechnique approach that features three independent experiments provides unique capabilities in performing reliable kinetic measurements over an exceptionally wide range in temperature, 300 to 2500 K. Recent kinetic work has focused on experimental studies and theoretical calculations of the methane dissociation system (CH{sub 4} + Ar {yields} CH{sub 3} + H + Ar and H + CH{sub 4} {yields} CH{sub 3} + H{sub 2}). Additionally, a discharge flow-photoionization mass spectrometer (DF-PIMS) experiment is used to determine branching fractions for multichannel reactions and to measure ionization thresholds of free radicals. Thus, these photoionization experiments generate data that are relevant to both reaction pathways studies (reaction dynamics) and fundamental thermochemical research. Two distinct advantages of performing PIMS with high intensity, tunable vacuum ultraviolet light at the National Synchrotron Light Source are high detection sensitivity and exceptional selectivity in monitoring radical species.

  5. Chemical kinetics and combustion modeling

    SciTech Connect

    Miller, J.A.

    1993-12-01

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

  6. Spray combustion stability project

    NASA Technical Reports Server (NTRS)

    Jeng, San-Mou; Litchford, Ron J.

    1992-01-01

    This report summarizes research activity on the Spray Combustion Stability Project, characterizes accomplishments and current status, and discusses projected future work. The purpose is to provide a concise conceptual overview of the research effort to date so the reader can quickly assimilate the gist of the research results and place them within the context of their potential impact on liquid rocket engine design technology.

  7. Spray combustion stability project

    NASA Technical Reports Server (NTRS)

    Jeng, San-Mou; Litchford, Ron J.

    1990-01-01

    This report summarizes research activity on the Spray Combustion Stability Project, characterizes accomplishments and current status, and discusses projected future work. The purpose is to provide a concise conceptual overview of the research effort so the reader can quickly assimilate the gist of the research results and place them within the context of their potential impact on liquid rocket engine design technology. Therefore, this report does not elaborate on many of the detailed technical aspects of the research program.

  8. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect

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

    2008-10-30

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

  9. Determination of kinetic parameters for biomass combustion.

    PubMed

    Álvarez, A; Pizarro, C; García, R; Bueno, J L; Lavín, A G

    2016-09-01

    The aim of this work is to provide a wide database of kinetic data for the most common biomass by thermogravimetric analysis (TGA) and differential thermogravimetry (DTG). Due to the characteristic parameters of DTG curves, a two-stage reaction model is proposed and the kinetic parameters obtained from model-based methods with energy activation values for first and second stages in the range 1.75·10(4)-1.55·10(5)J/mol and 1.62·10(4)-2.37·10(5)J/mol, respectively. However, it has been found that Flynn-Wall-Ozawa and Kissinger-Akahira-Sunose model-free methods are not suitable to determine the kinetic parameters of biomass combustion since the assumptions of these two methods were not accomplished in the full range of the combustion process. PMID:27233095

  10. Chemical Kinetic Modeling of Biofuel Combustion

    NASA Astrophysics Data System (ADS)

    Sarathy, Subram Maniam

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

  11. Spectroscopy, Kinetics, and Dynamics of Combustion Radicals

    SciTech Connect

    Nesbitt, David J.

    2013-08-06

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

  12. Compilation of Sandia coal char combustion data and kinetic analyses

    SciTech Connect

    Mitchell, R.E.; Hurt, R.H.; Baxter, L.L.; Hardesty, D.R.

    1992-06-01

    An experimental project was undertaken to characterize the physical and chemical processes that govern the combustion of pulverized coal chars. The experimental endeavor establishes a database on the reactivities of coal chars as a function of coal type, particle size, particle temperature, gas temperature, and gas and composition. The project also provides a better understanding of the mechanism of char oxidation, and yields quantitative information on the release rates of nitrogen- and sulfur-containing species during char combustion. An accurate predictive engineering model of the overall char combustion process under technologically relevant conditions in a primary product of this experimental effort. This document summarizes the experimental effort, the approach used to analyze the data, and individual compilations of data and kinetic analyses for each of the parent coals investigates.

  13. Statistical kinetics for pulverized coal combustion

    SciTech Connect

    Hurt, R.H.; Lunden, M.M.; Brehob, E.G.; Maloney, D.J.

    1996-06-01

    Coal is a heterogeneous substance whose structure and properties are highly variable on the length scale of the particle sizes used in suspension-fired combustion systems. For certain applications the statistical variations among particles can play an important role. In this paper, three specialized, single-particle techniques are applied to quantify the variations in combustion reactivity and char particle density within pulverized char particle populations. Reactivity variations are investigated through captive particle imaging experiments and entrained flow reactor experiments employing single-particle optical diagnostics. Single-particle density variations are determined directly by a novel technique based on an electrodynamic microbalance equipped with an automated video imaging and image processing system. From these data, a coal-general statistical kinetic model is developed and validated against a large set of single-particle temperature measurements for ten coals of various rank burning in three different combustion environments. The model incorporates a single empirical parameter describing the heterogeneity in reactivity and can adequately describe the entire database using a single coal-independent value of this parameter. The use of the model is demonstrated in a series of numerical simulations of complete burnout process for size-classified and polydisperse fuel samples. The simulations show that incorporating statistical kinetics has an important effect on burnout predictions in certain cases, the importance increasing with decreases in temperature, mean reactivity, and breadth of the particle size distribution. 32 refs.

  14. High Temperature Chemical Kinetic Combustion Modeling of Lightly Methylated Alkanes

    SciTech Connect

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

    2011-03-01

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

  15. Studies of combustion kinetics and mechanisms

    SciTech Connect

    Gutman, D.

    1993-12-01

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

  16. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect

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

    2010-11-15

    Predictive engine simulation models are needed to make rapid progress towards DOE's goals of increasing combustion engine efficiency and reducing pollutant emissions. These engine simulation models require chemical kinetic submodels to allow the prediction of the effect of fuel composition on engine performance and emissions. Chemical kinetic models for conventional and next-generation transportation fuels need to be developed so that engine simulation tools can predict fuel effects. The objectives are to: (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.

  17. Mechanisms and kinetics of granulated sewage sludge combustion.

    PubMed

    Kijo-Kleczkowska, Agnieszka; Środa, Katarzyna; Kosowska-Golachowska, Monika; Musiał, Tomasz; Wolski, Krzysztof

    2015-12-01

    This paper investigates sewage sludge disposal methods with particular emphasis on combustion as the priority disposal method. Sewage sludge incineration is an attractive option because it minimizes odour, significantly reduces the volume of the starting material and thermally destroys organic and toxic components of the off pads. Additionally, it is possible that ashes could be used. Currently, as many as 11 plants use sewage sludge as fuel in Poland; thus, this technology must be further developed in Poland while considering the benefits of co-combustion with other fuels. This paper presents the results of experimental studies aimed at determining the mechanisms (defining the fuel combustion region by studying the effects of process parameters, including the size of the fuel sample, temperature in the combustion chamber and air velocity, on combustion) and kinetics (measurement of fuel temperature and mass changes) of fuel combustion in an air stream under different thermal conditions and flow rates. The combustion of the sludge samples during air flow between temperatures of 800 and 900°C is a kinetic-diffusion process. This process determines the sample size, temperature of its environment, and air velocity. The adopted process parameters, the time and ignition temperature of the fuel by volatiles, combustion time of the volatiles, time to reach the maximum temperature of the fuel surface, maximum temperature of the fuel surface, char combustion time, and the total process time, had significant impacts. PMID:26306758

  18. Combustion

    NASA Technical Reports Server (NTRS)

    Bulzan, Dan

    2007-01-01

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

  19. Large-scale CFB combustion demonstration project

    SciTech Connect

    Nielsen, P.T.; Hebb, J.L.; Aquino, R.

    1998-07-01

    The Jacksonville Electric Authority's large-scale CFB demonstration project is described. Given the early stage of project development, the paper focuses on the project organizational structure, its role within the Department of Energy's Clean Coal Technology Demonstration Program, and the projected environmental performance. A description of the CFB combustion process in included.

  20. Large-scale CFB combustion demonstration project

    SciTech Connect

    Nielsen, P.T.; Hebb, J.L.; Aquino, R.

    1998-04-01

    The Jacksonville Electric Authority`s large-scale CFB demonstration project is described. Given the early stage of project development, the paper focuses on the project organizational structure, its role within the Department of Energy`s Clean Coal Technology Demonstration Program, and the projected environmental performance. A description of the CFB combustion process is included.

  1. Kinetic data base for combustion modeling

    SciTech Connect

    Tsang, W.; Herron, J.T.

    1993-12-01

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

  2. Chemical Kinetic Modeling of Hydrogen Combustion Limits

    SciTech Connect

    Pitz, W J; Westbrook, C K

    2008-04-02

    A detailed chemical kinetic model is used to explore the flammability and detonability of hydrogen mixtures. In the case of flammability, a detailed chemical kinetic mechanism for hydrogen is coupled to the CHEMKIN Premix code to compute premixed, laminar flame speeds. The detailed chemical kinetic model reproduces flame speeds in the literature over a range of equivalence ratios, pressures and reactant temperatures. A series of calculation were performed to assess the key parameters determining the flammability of hydrogen mixtures. Increased reactant temperature was found to greatly increase the flame speed and the flammability of the mixture. The effect of added diluents was assessed. Addition of water and carbon dioxide were found to reduce the flame speed and thus the flammability of a hydrogen mixture approximately equally well and much more than the addition of nitrogen. The detailed chemical kinetic model was used to explore the detonability of hydrogen mixtures. A Zeldovich-von Neumann-Doring (ZND) detonation model coupled with detailed chemical kinetics was used to model the detonation. The effectiveness on different diluents was assessed in reducing the detonability of a hydrogen mixture. Carbon dioxide was found to be most effective in reducing the detonability followed by water and nitrogen. The chemical action of chemical inhibitors on reducing the flammability of hydrogen mixtures is discussed. Bromine and organophosphorus inhibitors act through catalytic cycles that recombine H and OH radicals in the flame. The reduction in H and OH radicals reduces chain branching in the flame through the H + O{sub 2} = OH + O chain branching reaction. The reduction in chain branching and radical production reduces the flame speed and thus the flammability of the hydrogen mixture.

  3. An Experimental and Kinetic Modeling Study of Methyl Decanoate Combustion

    SciTech Connect

    Sarathy, S M; Thomson, M J; Pitz, W J; Lu, T

    2010-02-19

    Biodiesel is typically a mixture of long chain fatty acid methyl esters for use in compression ignition engines. Improving biofuel engine performance requires understanding its fundamental combustion properties and the pathways of combustion. This research study presents new combustion data for methyl decanoate in an opposed-flow diffusion flame. An improved detailed chemical kinetic model for methyl decanoate combustion is developed, which serves as the basis for deriving a skeletal mechanism via the direct relation graph method. The novel skeletal mechanism consists of 648 species and 2998 reactions. This mechanism well predicts the methyl decanoate opposed-flow diffusion flame data. The results from the flame simulations indicate that methyl decanoate is consumed via abstraction of hydrogen atoms to produce fuel radicals, which 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.

  4. Kinetics of in situ combustion. SUPRI TR 91

    SciTech Connect

    Mamora, D.D.; Ramey, H.J. Jr.; Brigham, W.E.; Castanier, L.M.

    1993-07-01

    Oxidation kinetic experiments with various crude oil types show two reaction peaks at about 250{degree}C (482{degree}F) and 400{degree}C (725{degree}F). These experiments lead to the conclusion that the fuel during high temperature oxidation is an oxygenated hydrocarbon. A new oxidation reaction model has been developed which includes two partially-overlapping reactions: namely, low-temperature oxidation followed by high-temperature oxidation. For the fuel oxidation reaction, the new model includes the effects of sand grain size and the atomic hydrogen-carbon (H/C) and oxygen-carbon (O/C) ratios of the fuel. Results based on the new model are in good agreement with the experimental data. Methods have been developed to calculate the atomic H/C and O/C ratios. These methods consider the oxygen in the oxygenated fuel, and enable a direct comparison of the atomic H/C ratios obtained from kinetic and combustion tube experiments. The finding that the fuel in kinetic tube experiments is an oxygenated hydrocarbon indicates that oxidation reactions are different in kinetic and combustion tube experiments. A new experimental technique or method of analysis will be required to obtain kinetic parameters for oxidation reactions encountered in combustion tube experiments and field operations.

  5. Chemical Kinetics of Hydrocarbon Ignition in Practical Combustion Systems

    SciTech Connect

    Westbrook, C.K.

    2000-07-07

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

  6. HIGH PRESSURE COAL COMBUSTON KINETICS PROJECT

    SciTech Connect

    Stefano Orsino

    2005-03-30

    As part of the U.S. Department of Energy (DoE) initiative to improve the efficiency of coal-fired power plants and reduce the pollution generated by these facilities, DOE has funded the High-Pressure Coal Combustion Kinetics (HPCCK) Projects. A series of laboratory experiments were conducted on selected pulverized coals at elevated pressures with the specific goals to provide new data for pressurized coal combustion that will help extend to high pressure and validate models for burnout, pollutant formation, and generate samples of solid combustion products for analyses to fill crucial gaps in knowledge of char morphology and fly ash formation. Two series of high-pressure coal combustion experiments were performed using SRI's pressurized radiant coal flow reactor. The first series of tests characterized the near burner flame zone (NBFZ). Three coals were tested, two high volatile bituminous (Pittsburgh No.8 and Illinois No.6), and one sub-bituminous (Powder River Basin), at pressures of 1, 2, and 3 MPa (10, 20, and 30 atm). The second series of experiments, which covered high-pressure burnout (HPBO) conditions, utilized a range of substantially longer combustion residence times to produce char burnout levels from 50% to 100%. The same three coals were tested at 1, 2, and 3 MPa, as well as at 0.2 MPa. Tests were also conducted on Pittsburgh No.8 coal in CO2 entrainment gas at 0.2, 1, and 2 MPa to begin establishing a database of experiments relevant to carbon sequestration techniques. The HPBO test series included use of an impactor-type particle sampler to measure the particle size distribution of fly ash produced under complete burnout conditions. The collected data have been interpreted with the help of CFD and detailed kinetics simulation to extend and validate devolatilization, char combustion and pollutant model at elevated pressure. A global NOX production sub-model has been proposed. The submodel reproduces the performance of the detailed chemical reaction

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

    DOE Data Explorer

    The central feature of the Combustion Chemistry project at LLNL is the development, validation, and application of detailed chemical kinetic reaction mechanisms for the combustion of hydrocarbon and other types of chemical fuels. For the past 30 years, LLNL's Chemical Sciences Division has built hydrocarbon mechanisms for fuels from hydrogen and methane through much larger fuels including heptanes and octanes. Other classes of fuels for which models have been developed include flame suppressants such as halons and organophosphates, and air pollutants such as soot and oxides of nitrogen and sulfur. Reaction mechanisms have been tested and validated extensively through comparisons between computed results and measured data from laboratory experiments (e.g., shock tubes, laminar flames, rapid compression machines, flow reactors, stirred reactors) and from practical systems (e.g., diesel engines, spark-ignition engines, homogeneous charge, compression ignition (HCCI) engines). These kinetic models are used to examine a wide range of combustion systems.

  8. Fast algorithms for combustion kinetics calculations: A comparison

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, K.

    1984-01-01

    To identify the fastest algorithm currently available for the numerical integration of chemical kinetic rate equations, several algorithms were examined. Findings to date are summarized. The algorithms examined include two general-purpose codes EPISODE and LSODE and three special-purpose (for chemical kinetic calculations) codes CHEMEQ, CRK1D, and GCKP84. In addition, an explicit Runge-Kutta-Merson differential equation solver (IMSL Routine DASCRU) is used to illustrate the problems associated with integrating chemical kinetic rate equations by a classical method. Algorithms were applied to two test problems drawn from combustion kinetics. These problems included all three combustion regimes: induction, heat release and equilibration. Variations of the temperature and species mole fraction are given with time for test problems 1 and 2, respectively. Both test problems were integrated over a time interval of 1 ms in order to obtain near-equilibration of all species and temperature. Of the codes examined in this study, only CREK1D and GCDP84 were written explicitly for integrating exothermic, non-isothermal combustion rate equations. These therefore have built-in procedures for calculating the temperature.

  9. MECHANISM AND KINETICS OF THE FORMATION OF NOX AND OTHER COMBUSTION POLLUTANTS. PHASE II. MODIFIED COMBUSTION

    EPA Science Inventory

    The report gives Phase II results of a combined experimental/theoretical study to define the mechanisms and kinetics of the formation of NOx and other combustion pollutants. Two experimental devices were used in Phase II. A special flat-flame burner with a controlled-temperature ...

  10. Kinetics of fluidized bed combustion of wood pellets

    SciTech Connect

    Leckner, B.; Hansson, K.M.; Tullin, C.; Borodulya, A.V.; Dikalenko, V.I.; Palchonok, G.I.

    1999-07-01

    Devolatilization and char combustion of a single wood pellet in a fluidized bed has been studied. The effect of operation parameters (bed temperature, bed particle size, oxygen concentration) and pellet characteristics has been investigated. A simplified analytical model of heat-transfer controlled pyrolysis has been developed to interpret the measured volatiles release time. The model predictions are in a good agreement with the experimental data, provided that the initial physical properties of the pellet are used. The model can be used to estimate the devolatilization times in other combustion systems. Kinetic parameters of char combustion are obtained, based on the measured burnout times and simple model considerations. The physical properties of wood pellets need further study.

  11. Spectroscopy and kinetics of combustion gases at high temperatures

    SciTech Connect

    Hanson, R.K.; Bowman, C.T.

    1993-12-01

    This program involves two complementary activities: (1) development and application of cw ring dye laser absorption methods for sensitive detection of radical species and measurement of fundamental spectroscopic parameters at high temperatures; and (2) shock tube studies of reaction kinetics relevant to combustion. Species currently under investigation in the spectroscopic portion of the research include NO and CH{sub 3}; this has necessitated the continued operated at wavelengths in the range 210-230 nm. Shock tube studies of reaction kinetics currently are focussed on reactions involving CH{sub 3} radicals.

  12. Chemical kinetic reaction mechanism for the combustion of propane

    NASA Technical Reports Server (NTRS)

    Jachimowski, C. J.

    1984-01-01

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

  13. Chemical Kinetic Modeling of Combustion of Automotive Fuels

    SciTech Connect

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

    2006-11-10

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

  14. Detailed Chemical Kinetic Mechanisms for Combustion of Oxygenated Fuels

    SciTech Connect

    Fisher, E.M.; Pitz, W.J.; Curran, H.J.; Westbrook, C.K.

    2000-01-11

    Thermodynamic properties and detailed chemical kinetic models have been developed for the combustion of two oxygenates: methyl butanoate, a model compound for biodiesel fuels, and methyl formate, a related simpler molecule. Bond additivity methods and rules for estimating kinetic parameters were adopted from hydrocarbon combustion and extended. The resulting mechanisms have been tested against the limited combustion data available in the literature, which was obtained at low temperature, subatmospheric conditions in closed vessels, using pressure measurements as the main diagnostic. Some qualitative agreement was obtained, but the experimental data consistently indicated lower overall reactivities than the model, differing by factors of 10 to 50. This discrepancy, which occurs for species with well-established kinetic mechanisms as well as for methyl esters, is tentatively ascribed to the presence of wall reactions in the experiments. The model predicts a region of weak or negative dependence of overall reaction rate on temperature for each methyl ester. Examination of the reaction fluxes provides an explanation of this behavior, involving a temperature-dependent competition between chain-propagating unimolecular decomposition processes and chain-branching processes, similar to that accepted for hydrocarbons. There is an urgent need to obtain more complete experimental data under well-characterized conditions for thorough testing of the model.

  15. The combustion kinetics of octane isomers

    SciTech Connect

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

    1990-03-29

    Shock tube experiments provide conditions for testing kinetic models that are unique, since this is the only common environment in which initiation reactions, primarily the unimolecular decompositions of the fuel, play an important role. At least two factors are known to be very important, the fuel molecule size and its precise structure. Iso-octane has an octane number of 100, which reflects the relative difficulty with which iso-octanes/air mixtures ignite. Conversely, C{sub 8}H{sub 18}, the straight chain n-octane, ignites very easily, with an octane number of approximately zero. The present work addresses the importance of fuel structure for large hydrocarbon fuels, by comparing the ignition of isomers of octane under shock tube conditions. Ignition delay times were performed with n-octane, a linear chain molecular with only primary and secondary C-H bonds, 2-3-4-trimethyl-pentane has a highly branched molecule and contains only primary and tertiary C-H bonds, and iso-octane a molecule which includes a mixture of primary, secondary, and tertiary C-H bonds. Also 1-octene, a simple straight chain alkene was included. The experiments were run in a single pulse stainless steel shock tube. 475 shocks were performed. They were spread as follows: (1) 164 experiments with 1-octene (C{sub 8}H{sub 16}). (2) 137 experiments with 2,2,4 tri-methyl pentane. (3) 30 experiments with 2,3,4 tri-methyl pentane. (4) 144 experiments with n-octane. 3 refs.

  16. Kinetic and mechanistic studies of free-radical reactions in combustion

    SciTech Connect

    Tully, F.P.

    1993-12-01

    Combustion is driven by energy-releasing chemical reactions. Free radicals that participate in chain reactions carry the combustion process from reactants to products. Research in chemical kinetics enables us to understand the microscopic mechanisms involved in individual chemical reactions as well as to determine the rates at which they proceed. Both types of information are required for an understanding of how flames burn, why engines knock, how to minimize the production of pollutants, and many other important questions in combustion. In this program the authors emphasize accurate measurements over wide temperature ranges of the rates at which ubiquitous free radicals react with stable molecules. The authors investigate a variety of OH, CN, and CH + stable molecule reactions important to fuel conversion, emphasizing application of the extraordinarily precise technique of laser photolysis/continuous-wave laser-induced fluorescence (LP/cwLIF). This precision enables kinetic measurements to serve as mechanistic probes. Since considerable effort is required to study each individual reaction, prudent selection is critical. Two factors encourage selection of a specific reaction: (1) the rates and mechanisms of the subject reaction are required input to a combustion model; and (2) the reaction is a chemical prototype which, upon characterization, will provide fundamental insight into chemical reactivity, facilitate estimation of kinetic parameters for similar reactions, and constrain and test the computational limits of reaction-rate theory. Most studies performed in this project satisfy both conditions.

  17. Chemical Kinetics in Support of Syngas Turbine Combustion

    SciTech Connect

    Dryer, Frederick

    2007-07-31

    This document is the final report on an overall program formulated to extend our prior work in developing and validating kinetic models for the CO/hydrogen/oxygen reaction by carefully analyzing the individual and interactive behavior of specific elementary and subsets of elementary reactions at conditions of interest to syngas combustion in gas turbines. A summary of the tasks performed under this work are: 1. Determine experimentally the third body efficiencies in H+O{sub 2}+M = HO{sub 2}+M (R1) for CO{sub 2} and H{sub 2}O. 2. Using published literature data and the results in this program, further develop the present H{sub 2}/O{sub 2}/diluent and CO/H{sub 2}/O{sub 2}/diluent mechanisms for dilution with CO{sub 2}, H{sub 2}O and N{sub 2} through comparisons with new experimental validation targets for H{sub 2}-CO-O{sub 2}-N{sub 2} reaction kinetics in the presence of significant diluent fractions of CO{sub 2} and/or H{sub 2}O, at high pressures. (task amplified to especially address ignition delay issues, see below). 3. Analyze and demonstrate issues related to NOx interactions with syngas combustion chemistry (task amplified to include interactions of iron pentacarbonyl with syngas combustion chemistry, see below). 4. Publish results, including updated syngas kinetic model. Results are summarized in this document and its appendices. Three archival papers which contain a majority of the research results have appeared. Those results not published elsewhere are highlighted here, and will appear as part of future publications. Portions of the work appearing in the above publications were also supported in part by the Department of Energy under Grant No. DE-FG02-86ER-13503. As a result of and during the research under the present contract, we became aware of other reported results that revealed substantial differences between experimental characterizations of ignition delays for syngas mixtures and ignition delay predictions based upon homogenous kinetic modeling. We

  18. Oxy-combustion of pulverized coal : modeling of char-combustion kinetics.

    SciTech Connect

    Shaddix, Christopher R.; Haynes, Brian S.; Geier, Manfred

    2010-09-01

    In this study, char combustion of pulverized coal under oxy-fuel combustion conditions was investigated on the basis of experimentally observed temperature-size characteristics and corresponding predictions of numerical simulations. Using a combustion-driven entrained flow reactor equipped with an optical particle-sizing pyrometer, combustion characteristics (particle temperatures and apparent size) of pulverized coal char particles was determined for combustion in both reduced oxygen and oxygen-enriched atmospheres with either a N{sub 2} or CO{sub 2} bath gas. The two coals investigated were a low-sulfur, high-volatile bituminous coal (Utah Skyline) and a low-sulfur subbituminous coal (North Antelope), both size-classified to 75-106 {micro}m. A particular focus of this study lies in the analysis of the predictive modeling capabilities of simplified models that capture char combustion characteristics but exhibit the lowest possible complexity and thus facilitate incorporation in existing computational fluid dynamics (CFD) simulation codes. For this purpose, char consumption characteristics were calculated for char particles in the size range 10-200 {micro}m using (1) single-film, apparent kinetic models with a chemically 'frozen' boundary layer, and (2) a reacting porous particle model with detailed gas-phase kinetics and three separate heterogeneous reaction mechanisms of char-oxidation and gasification. A comparison of model results with experimental data suggests that single-film models with reaction orders between 0.5 and 1 with respect to the surface oxygen partial pressure may be capable of adequately predicting the temperature-size characteristics of char consumption, provided heterogeneous (steam and CO{sub 2}) gasification reactions are accounted for.

  19. Oxy-combustion of pulverized coal : modeling of char combustion kinetics.

    SciTech Connect

    Shaddix, Christopher R.; Haynes, Brian S.; Geier, Manfred

    2010-09-01

    In this study, char combustion of pulverized coal under oxy-fuel combustion conditions was investigated on the basis of experimentally observed temperature-size characteristics and corresponding predictions of numerical simulations. Using a combustion-driven entrained flow reactor equipped with an optical particle-sizing pyrometer, combustion characteristics (particle temperatures and apparent size) of pulverized coal char particles was determined for combustion in both reduced oxygen and oxygen-enriched atmospheres with either a N{sub 2} or CO{sub 2} bath gas. The two coals investigated were a low-sulfur, high-volatile bituminous coal (Utah Skyline) and a low-sulfur subbituminous coal (North Antelope), both size-classified to 75-106 {micro}m. A particular focus of this study lies in the analysis of the predictive modeling capabilities of simplified models that capture char combustion characteristics but exhibit the lowest possible complexity and thus facilitate incorporation in existing computational fluid dynamics (CFD) simulation codes. For this purpose, char consumption characteristics were calculated for char particles in the size range 10-200 {micro}m using (1) single-film, apparent kinetic models with a chemically 'frozen' boundary layer, and (2) a reacting porous particle model with detailed gas-phase kinetics and three separate heterogeneous reaction mechanisms of char-oxidation and gasification. A comparison of model results with experimental data suggests that single-film models with reaction orders between 0.5 and 1 with respect to the surface oxygen partial pressure may be capable of adequately predicting the temperature-size characteristics of char consumption, provided heterogeneous (steam and CO{sub 2}) gasification reactions are accounted for.

  20. A small detailed chemical-kinetic mechanism for hydrocarbon combustion

    SciTech Connect

    Petrova, M.V.; Williams, F.A.

    2006-02-01

    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)

  1. HTP kinetics studies on isolated elementary combustion reactions over wide temperature ranges

    SciTech Connect

    Fontijn, A.; Adusei, G.Y.; Hranisavlevic, J.; Bajaj, P.N.

    1993-12-01

    The goals of this project are to provide accurate data on the temperature dependence of the kinetics of elementary combustion reactions, (i) for use by combustion modelers, and (ii) to gain a better fundamental understanding of, and hence predictive ability for, the chemistry involved. Experimental measurements are made mainly by using the pseudo-static HTP (high-temperature photochemistry) technique. While continuing rate coefficient measurements, further aspects of kinetics research are being explored. Thus, starting from the data obtained, a method for predicting the temperature dependence of rate coefficients of oxygen-atom olefin experiment and confirms the underlying mechanistic assumptions. Mechanistic information of another sort, i.e. by product analysis, has recently become accessible with the inauguration of our heated flow tube mass spectrometer facility; early results are reported here. HTP experiments designed to lead to measurements of product channels by resonance fluorescence have started.

  2. Kinetic Study of the Combustion of Phosphorus Containing Species

    SciTech Connect

    Glaude, P.A.; Curran, H.J.; Pitz, W.J.; Westbrook, C.K.

    1999-10-22

    The combustion of organophosphorus compounds is of great interest for the incineration of chemical warfare agent and their use in flame inhibition as halon replacement. The thermochemical data of these species and the reactions involved at high temperature are not well known, despite some recent experimental studies. With BAC-MP4 ab initio estimations as a basis and semi-empirical estimations for many new compounds, the thermochemistry of organophosphorus compounds is studied. New group additivity values are proposed for enthalpies of formation at 298K, entropies and heat capacities of species involving pentavalent phosphorus bonded to carbon, hydrogen, oxygen, fluorine, nitrogen and sulfur atoms. The kinetic of unimolecular elimination is investigated by modeling pyrolysis experiments of DEMP, TEP and DIMP. A new combustion mechanism is described and applied to the modeling of DMMP reaction in a H{sub 2}/O{sub 2} flame.

  3. Decoupled direct method for sensitivity analysis in combustion kinetics

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, Krishnan

    1987-01-01

    An efficient, decoupled direct method for calculating the first order sensitivity coefficients of homogeneous, batch combustion kinetic rate equations is presented. In this method the ordinary differential equations for the sensitivity coefficients are solved separately from , but sequentially with, those describing the combustion chemistry. The ordinary differential equations for the thermochemical variables are solved using an efficient, implicit method (LSODE) that automatically selects the steplength and order for each solution step. The solution procedure for the sensitivity coefficients maintains accuracy and stability by using exactly the same steplengths and numerical approximations. The method computes sensitivity coefficients with respect to any combination of the initial values of the thermochemical variables and the three rate constant parameters for the chemical reactions. The method is illustrated by application to several simple problems and, where possible, comparisons are made with exact solutions and those obtained by other techniques.

  4. The Impact of Alternative Fuels on Combustion Kinetics

    SciTech Connect

    Pitz, W J; Westbrook, C K

    2009-07-30

    The research targets the development of detailed kinetic models to quantitatively characterize the impact of alternative fuels on the performance of Navy turbines and diesel engines. Such impacts include kinetic properties such as cetane number, flame speed, and emissions as well as physical properties such as the impact of boiling point distributions on fuel vaporization and mixing. The primary focus will be Fischer-Tropsch liquids made from natural gas, coal or biomass. The models will include both the effects of operation with these alternative fuels as well as blends of these fuels with conventional petroleum-based fuels. The team will develop the requisite kinetic rules for specific reaction types and incorporate these into detailed kinetic mechanisms to predict the combustion performance of neat alternative fuels as well as blends of these fuels with conventional fuels. Reduced kinetic models will be then developed to allow solution of the coupled kinetics/transport problems. This is a collaboration between the Colorado School of Mines (CSM) and the Lawrence Livermore National Laboratory (LLNL). The CSM/LLNL team plans to build on the substantial progress made in recent years in developing accurate detailed chemical mechanisms for the oxidation and pyrolysis of conventional fuels. Particular emphasis will be placed upon reactions of the isoalkanes and the daughter radicals, especially tertiary radicals, formed by abstraction from the isoalkanes. The various components of the program are described. We have been developing the kinetic models for two iso-dodecane molecules, using the same kinetic modeling formalisms that were developed for the gasoline and diesel primary reference fuels. These mechanisms, and the thermochemical and transport coefficient submodels for them, are very close to completion at the time of this report, and we expect them to be available for kinetic simulations early in the coming year. They will provide a basis for prediction and

  5. A chemical kinetic modeling study of chlorinated hydrocarbon combustion

    SciTech Connect

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

    1990-09-05

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

  6. Towards cleaner combustion engines through groundbreaking detailed chemical kinetic models

    PubMed Central

    Battin-Leclerc, Frédérique; Blurock, Edward; Bounaceur, Roda; Fournet, René; Glaude, Pierre-Alexandre; Herbinet, Olivier; Sirjean, Baptiste; Warth, V.

    2013-01-01

    In the context of limiting the environmental impact of transportation, this paper reviews new directions which are being followed in the development of more predictive and more accurate detailed chemical kinetic models for the combustion of fuels. In the first part, the performance of current models, especially in terms of the prediction of pollutant formation, is evaluated. In the next parts, recent methods and ways to improve these models are described. An emphasis is given on the development of detailed models based on elementary reactions, on the production of the related thermochemical and kinetic parameters, and on the experimental techniques available to produce the data necessary to evaluate model predictions under well defined conditions. PMID:21597604

  7. A multipurpose reduced chemical-kinetic mechanism for methanol combustion

    NASA Astrophysics Data System (ADS)

    Fernández-Tarrazo, Eduardo; Sánchez-Sanz, Mario; Sánchez, Antonio L.; Williams, Forman A.

    2016-07-01

    A multipurpose reduced chemical-kinetic mechanism for methanol combustion comprising 8 overall reactions and 11 reacting chemical species is presented. The development starts by investigating the minimum set of elementary reactions needed to describe methanol combustion with reasonable accuracy over a range of conditions of temperature, pressure, and composition of interest in combustion. Starting from a 27-step mechanism that has been previously tested and found to give accurate predictions of ignition processes for these conditions, it is determined that the addition of 11 elementary reactions taken from its basis (San Diego) mechanism extends the validity of the description to premixed-flame propagation, strain-induced extinction of non-premixed flames, and equilibrium composition and temperatures, giving results that compare favourably with experimental measurements and also with computations using the 247-step detailed San Diego mechanism involving 50 reactive species. Specifically, premixed-flame propagation velocities and extinction strain rates for non-premixed counterflow flames calculated with the 38-step mechanism show departures from experimental measurements and detailed-chemistry computations that are roughly on the order of 10%, comparable with expected experimental uncertainties. Similar accuracy is found in comparisons of autoignition times over the range considered, except at very high temperatures, under which conditions the computations tend to overpredict induction times for all of the chemistry descriptions tested. From this 38-step mechanism, the simplification is continued by introducing steady-state approximations for the intermediate species CH3, CH4, HCO, CH3O, CH2OH, and O, leading to an 8-step reduced mechanism that provides satisfactory accuracy for all conditions tested. The flame computations indicate that thermal diffusion has a negligible influence on methanol combustion in all cases considered and that a mixture-average species

  8. Chemical Kinetic Simulation of the Combustion of Bio-based Fuels

    SciTech Connect

    Ashen, Ms. Refuyat; Cushman, Ms. Katherine C.

    2007-10-01

    Due to environmental and economic issues, there has been an increased interest in the use of alternative fuels. However, before widespread use of biofuels is feasible, the compatibility of these fuels with specific engines needs to be examined. More accurate models of the chemical combustion of alternative fuels in Homogeneous Charge Compression Ignition (HCCI) engines are necessary, and this project evaluates the performance of emissions models and uses the information gathered to study the chemical kinetics involved. The computer simulations for each alternative fuel were executed using the Chemkin chemical kinetics program, and results from the runs were compared with data gathered from an actual engine that was run under similar conditions. A new heat transfer mechanism was added to the existing model's subroutine, and simulations were then conducted using the heat transfer mechanism. Results from the simulation proved to be accurate when compared with the data taken from the actual engine. The addition of heat transfer produced more realistic temperature and pressure data for biodiesel when biodiesel's combustion was simulated in an HCCI engine. The addition of the heat transfer mechanism essentially lowered the peak pressures and peak temperatures during combustion of all fuels simulated in this project.

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

    NASA Technical Reports Server (NTRS)

    Nguyen, H. Lee; Wey, Ming-Jyh

    1990-01-01

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

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

    NASA Astrophysics Data System (ADS)

    Nguyen, H. Lee; Wey, Ming-Jyh

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

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

    NASA Technical Reports Server (NTRS)

    Nguyen, H. Lee; Wey, Ming-Jyh

    1990-01-01

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

  12. HIGH PRESSURE COAL COMBUSTION KINETICS PROJECT

    SciTech Connect

    Stefano Orsino

    2003-07-25

    NEA completed the CFD simulations for all NBFZ tests. SRI resumed work on HPBO experiments and conducted preliminary tests using the UCONN impactor. UCONN prepared several samples of char for cross-sectional analysis by SEM and characterization is underway. BU completed the NBFZ char characterization program. CBK model had been implemented into Fluent.

  13. HIGH PRESSURE COAL COMBUSTION KINETICS PROJECT

    SciTech Connect

    Chris Guenther

    2002-10-28

    The modifications to the SRT-RCFR facility described in the June report were completed. As a result of these changes, the furnace hot zone was increased in length from 7 cm to 15.5 cm. The injector region of the furnace, providing entrainment and sheath flows, was unchanged, while the flow path from the exit of the furnace to the sample collection section was shortened by approximately 10 cm. The modified facility was used to resume testing of Pittsburgh No. 8 coal at 10 atm. The first goal was to confirm that the facility now provides true secondary pyrolysis test conditions. That is, the tar product should be completely converted to soot even in the absence of oxygen in the gas stream. We have now performed four tests with pure argon carrier gas, and have consistently observed voluminous soot product with little or no evidence of tar. Thus, this objective was met. The clogging problems for Pittsburgh No. 8 coal under secondary pyrolysis test conditions may preclude achieving this data point. In that case, we will make measurements under oxidizing conditions, which are expected to eliminate the clogging, and to gradually reduce the oxygen content to the point where product yields can reliably be extrapolated to the zero oxygen case.

  14. Theoretical validation of chemical kinetic mechanisms : combustion of methanol.

    SciTech Connect

    Skodje, R. T.; Tomlin, A. S.; Klippenstein, S. J.; Harding, L. B.; Davis, M. J.; Chemical Sciences and Engineering Division; Univ. of Colorado; Univ. of Leeds

    2010-08-19

    A new technique is proposed that uses theoretical methods to systematically improve the performance of chemical kinetic mechanisms. Using a screening method, the chemical reaction steps that most strongly influence a given kinetic observable are identified. The associated rate coefficients are then improved by high-level quantum chemistry and transition-state-theory calculations, which leads to new values for the coefficients and smaller uncertainty ranges. This updating process is continued as new reactions emerge as the most important steps in the target observable. The screening process employed is a global sensitivity analysis that involves Monte Carlo sampling of the full N-dimensional uncertainty space of rate coefficients, where N is the number of reaction steps. The method is applied to the methanol combustion mechanism of Li et al. (Int. J. Chem. Kinet. 2007, 39, 109.). It was found that the CH{sub 3}OH + HO{sub 2} and CH{sub 3}OH + O{sub 2} reactions were the most important steps in setting the ignition delay time, and the rate coefficients for these reactions were updated. The ignition time is significantly changed for a broad range of high-concentration methanol/oxygen mixtures in the updated mechanism.

  15. Kinetic Modeling of Combustion Characteristics of Real Biodiesel Fuels

    SciTech Connect

    Naik, C V; Westbrook, C K

    2009-04-08

    Biodiesel fuels are of much interest today either for replacing or blending with conventional fuels for automotive applications. Predicting engine effects of using biodiesel fuel requires accurate understanding of the combustion characteristics of the fuel, which can be acquired through analysis using reliable detailed reaction mechanisms. Unlike gasoline or diesel that consists of hundreds of chemical compounds, biodiesel fuels contain only a limited number of compounds. Over 90% of the biodiesel fraction is composed of 5 unique long-chain C{sub 18} and C{sub 16} saturated and unsaturated methyl esters. This makes modeling of real biodiesel fuel possible without the need for a fuel surrogate. To this end, a detailed chemical kinetic mechanism has been developed for determining the combustion characteristics of a pure biodiesel (B100) fuel, applicable from low- to high-temperature oxidation regimes. This model has been built based on reaction rate rules established in previous studies at Lawrence Livermore National Laboratory. Computed results are compared with the few fundamental experimental data that exist for biodiesel fuel and its components. In addition, computed results have been compared with experimental data for other long-chain hydrocarbons that are similar in structure to the biodiesel components.

  16. Three-stage combustion demonstration projects update

    SciTech Connect

    Ashworth, B.; Zawadzki, E.; Murrell, F.; Shroyer, D.; Gallenbach, T.

    2000-07-01

    The Ashworth Combustor is a pulverized coal-fired system that reduces the three major air pollutants (NO{sub x}, SO{sub 2} and particulate) associated with coal combustion. A 50 million Btu/hr combustion system will be retrofitted to a stoker boiler at the Lincoln Development Center in Lincoln, Illinois. Startup and testing re scheduled for mid 2000. With this technology, a two-stage slagging combustor is used with furnace over-fire air (the third stage). Pulverized coal/limestone are fired/calcined in the combustor. limestone (lime) is added to flux the slag and capture sulfur in a molten slag eutectic as a non-leaching calcium sulfide. Beside deep NO{sub x} reduction, 70%+SO{sub 2} and 70 to 80% particulate reductions are projected for the Ashworth Combustor. ClearStack, the Illinois Department of Commerce and Community Affairs Office of Coal Development and Marketing and the Ohio Coal Development Office (OCDO) are sponsoring the Ashworth Combustor demonstration. The Stage3Cyclone is a simple retrofit to cyclone-fired boilers to reduce NO{sub x} emissions to low levels. The existing cyclone barrels are used as the first stage of combustion and the conventional cyclone feed coal size (-1/4 inch) is used. Limestone is added to flux the coal ash. Second stage air is added in the furnace at the re-entrant throat level followed by over-fire air (OFA) injection in the upper part of the furnace. The technique is to be demonstrated on a southern Illinois Power Cooperative 33 MWe cyclone-fired unit in Marion, Illinois. Funding arrangements are being made and testing is projected for late 2000.

  17. Laser Pyrolysis Techniques: Application To Catalysis, Combustion Diagnostics, And Kinetics

    NASA Astrophysics Data System (ADS)

    Smith, Gregory P.

    1984-05-01

    A pulsed laser pyrolysis method has been developed to study kinetic processes at high temperatures. A CO2 laser is used to irradiate a 100 torr mixture of an infrared absorber (SF6), bath gas (N2), and reactants. Rapid heating to 700-1400 K occurs, followed by two-stage cooling. Unimolecular reactions are studied by competitive kinetics with a known standard, using mass-spectrometric or gas-chromatographic analysis. Bimolecular processes are examined using laser-induced fluorescence (LIF). The technique offers great advantages in reaching reactive temperatures in a fast and time-resolved manner, without the complications of hot surfaces. It is thus an ideal tool for analyzing and measuring some of the basic processes occurring in more complicated, real, hot systems. Our recent applications of the laser pyrolysis method in the areas of catalysis and combustion are summarized here. Several transition metal-carbonyl bond dissociation energies have been measured, and catalysis by the hot metal particulate products was observed. Since the use of LIF as a flame diagnotic requires some knowledge of the fluorescence quenching rates at high temperatures, the laser pyrolysis method was used to measure these rates for the important OH radical. Its reaction rate with acetylene was also measured, with implications for flame modeling and the mechanism of soot formation. Finally, this method can be used to ignite low concentrations of fuel and oxidant, and then study the time-resolved evolution of the flame chemistry by LIF and chemiluminescence observations.

  18. Detailed Chemical Kinetic Modeling of Diesel Combustion with Oxygenated Fuels

    SciTech Connect

    Curran, H J; Fisher, E M; Glaude, P-A; Marinov, N M; Pitz, W J; Westbrook, C K; Flynn, P F; Durrett, R P; zur Loye, A O; Akinyemi, O C; Dryer, F L

    2000-01-11

    Emission standards for diesel engines in vehicles have been steadily reduced in recent years, and a great deal of research and development effort has been focused on reducing particulate and nitrogen oxide emissions. One promising approach to reducing emissions involves the addition of oxygen to the fuel, generally by adding an oxygenated compound to the normal diesel fuel. Miyamoto et al. [1] showed experimentally that particulate levels can be significantly reduced by adding oxygenated species to the fuel. They found the Bosch smoke number (a measure of the particulate or soot levels in diesel exhaust) falls from about 55% for conventional diesel fuel to less than 1% when the oxygen content of the fuel is above about 25% by mass, as shown in Figure 1. It has been well established that addition of oxygenates to automotive fuel, including both diesel fuel as well as gasoline, reduces NOx and CO emissions by reducing flame temperatures. This is the basis for addition of oxygenates to produce reformulated gasoline in selected portions of the country. Of course, this is also accompanied by a slight reduction in fuel economy. A new overall picture of diesel combustion has been developed by Dec [2], in which laser diagnostic studies identified stages in diesel combustion that had not previously been recognized. These stages are summarized in Figure 2. The evolution of the diesel spray is shown, starting as a liquid jet that vaporizes and entrains hot air from the combustion chamber. This relatively steady process continues as long as fuel is being injected. In particular, Dec showed that the fuel spray vaporizes and mixes with air and products of earlier combustion to provide a region in which a gas phase, premixed fuel-rich ignition and burn occurs. The products of this ignition are then observed experimentally to lead rapidly to formation of soot particles, which subsequently are consumed in a diffusion flame. Recently, Flynn et al. [3] used a chemical kinetic and

  19. Critical evaluation of Jet-A spray combustion using propane chemical kinetics in gas turbine combustion simulated by KIVA-2

    NASA Technical Reports Server (NTRS)

    Nguyen, H. L.; Ying, S.-J.

    1990-01-01

    Jet-A spray combustion has been evaluated in gas turbine combustion with the use of propane chemical kinetics as the first approximation for the chemical reactions. Here, the numerical solutions are obtained by using the KIVA-2 computer code. The KIVA-2 code is the most developed of the available multidimensional combustion computer programs for application of the in-cylinder combustion dynamics of internal combustion engines. The released version of KIVA-2 assumes that 12 chemical species are present; the code uses an Arrhenius kinetic-controlled combustion model governed by a four-step global chemical reaction and six equilibrium reactions. Researchers efforts involve the addition of Jet-A thermophysical properties and the implementation of detailed reaction mechanisms for propane oxidation. Three different detailed reaction mechanism models are considered. The first model consists of 131 reactions and 45 species. This is considered as the full mechanism which is developed through the study of chemical kinetics of propane combustion in an enclosed chamber. The full mechanism is evaluated by comparing calculated ignition delay times with available shock tube data. However, these detailed reactions occupy too much computer memory and CPU time for the computation. Therefore, it only serves as a benchmark case by which to evaluate other simplified models. Two possible simplified models were tested in the existing computer code KIVA-2 for the same conditions as used with the full mechanism. One model is obtained through a sensitivity analysis using LSENS, the general kinetics and sensitivity analysis program code of D. A. Bittker and K. Radhakrishnan. This model consists of 45 chemical reactions and 27 species. The other model is based on the work published by C. K. Westbrook and F. L. Dryer.

  20. Critical evaluation of Jet-A spray combustion using propane chemical kinetics in gas turbine combustion simulated by KIVA-2

    NASA Astrophysics Data System (ADS)

    Nguyen, H. L.; Ying, S.-J.

    1990-07-01

    Jet-A spray combustion has been evaluated in gas turbine combustion with the use of propane chemical kinetics as the first approximation for the chemical reactions. Here, the numerical solutions are obtained by using the KIVA-2 computer code. The KIVA-2 code is the most developed of the available multidimensional combustion computer programs for application of the in-cylinder combustion dynamics of internal combustion engines. The released version of KIVA-2 assumes that 12 chemical species are present; the code uses an Arrhenius kinetic-controlled combustion model governed by a four-step global chemical reaction and six equilibrium reactions. Researchers efforts involve the addition of Jet-A thermophysical properties and the implementation of detailed reaction mechanisms for propane oxidation. Three different detailed reaction mechanism models are considered. The first model consists of 131 reactions and 45 species. This is considered as the full mechanism which is developed through the study of chemical kinetics of propane combustion in an enclosed chamber. The full mechanism is evaluated by comparing calculated ignition delay times with available shock tube data. However, these detailed reactions occupy too much computer memory and CPU time for the computation. Therefore, it only serves as a benchmark case by which to evaluate other simplified models. Two possible simplified models were tested in the existing computer code KIVA-2 for the same conditions as used with the full mechanism. One model is obtained through a sensitivity analysis using LSENS, the general kinetics and sensitivity analysis program code of D. A. Bittker and K. Radhakrishnan. This model consists of 45 chemical reactions and 27 species. The other model is based on the work published by C. K. Westbrook and F. L. Dryer.

  1. On-Line Analysis and Kinetic Behavior of Arsenic Release during Coal Combustion and Pyrolysis.

    PubMed

    Shen, Fenghua; Liu, Jing; Zhang, Zhen; Dai, Jinxin

    2015-11-17

    The kinetic behavior of arsenic (As) release during coal combustion and pyrolysis in a fluidized bed was investigated by applying an on-line analysis system of trace elements in flue gas. This system, based on inductively coupled plasma optical emission spectroscopy (ICP-OES), was developed to measure trace elements concentrations in flue gas quantitatively and continuously. Obvious variations of arsenic concentration in flue gas were observed during coal combustion and pyrolysis, indicating strong influences of atmosphere and temperature on arsenic release behavior. Kinetic laws governing the arsenic release during coal combustion and pyrolysis were determined based on the results of instantaneous arsenic concentration in flue gas. A second-order kinetic law was determined for arsenic release during coal combustion, and the arsenic release during coal pyrolysis followed a fourth-order kinetic law. The results showed that the arsenic release rate during coal pyrolysis was faster than that during coal combustion. Thermodynamic calculations were carried out to identify the forms of arsenic in vapor and solid phases during coal combustion and pyrolysis, respectively. Ca3(AsO4)2 and Ca(AsO2)2 are the possible species resulting from As-Ca interaction during coal combustion. Ca(AsO2)2 is the most probable species during coal pyrolysis. PMID:26488499

  2. Reduced and Validated Kinetic Mechanisms for Hydrogen-CO-sir Combustion in Gas Turbines

    SciTech Connect

    Yiguang Ju; Frederick Dryer

    2009-02-07

    Rigorous experimental, theoretical, and numerical investigation of various issues relevant to the development of reduced, validated kinetic mechanisms for synthetic gas combustion in gas turbines was carried out - including the construction of new radiation models for combusting flows, improvement of flame speed measurement techniques, measurements and chemical kinetic analysis of H{sub 2}/CO/CO{sub 2}/O{sub 2}/diluent mixtures, revision of the H{sub 2}/O{sub 2} kinetic model to improve flame speed prediction capabilities, and development of a multi-time scale algorithm to improve computational efficiency in reacting flow simulations.

  3. Development of Kinetic Mechanisms for Next-Generation Fuels and CFD Simulation of Advanced Combustion Engines

    SciTech Connect

    Pitz, William J.; McNenly, Matt J.; Whitesides, Russell; Mehl, Marco; Killingsworth, Nick J.; Westbrook, Charles K.

    2015-12-17

    Predictive chemical kinetic models are needed to represent next-generation fuel components and their mixtures with conventional gasoline and diesel fuels. These kinetic models will allow the prediction of the effect of alternative fuel blends in CFD simulations of advanced spark-ignition and compression-ignition engines. Enabled by kinetic models, CFD simulations can be used to optimize fuel formulations for advanced combustion engines so that maximum engine efficiency, fossil fuel displacement goals, and low pollutant emission goals can be achieved.

  4. Sensitivity of natural gas HCCI combustion to fuel and operating parameters using detailed kinetic modeling

    SciTech Connect

    Aceves, S; Dibble, R; Flowers, D; Smith, J R; Westbrook, C K

    1999-07-19

    This paper uses the HCT (Hydrodynamics, Chemistry and Transport) chemical kinetics code to analyze natural gas HCCI combustion in an engine. The HCT code has been modified to better represent the conditions existing inside an engine, including a wall heat transfer correlation. Combustion control and low power output per displacement remain as two of the biggest challenges to obtaining satisfactory performance out of an HCCI engine, and these are addressed in this paper. The paper considers the effect of natural gas composition on HCCI combustion, and then explores three control strategies for HCCI engines: DME (dimethyl ether) addition, intake heating and hot EGR addition. The results show that HCCI combustion is sensitive to natural gas composition, and an active control may be required to compensate for possible changes in composition. The three control strategies being considered have a significant effect in changing the combustion parameters for the engine, and should be able to control HCCI combustion.

  5. Combustion Research Program: Flame studies, laser diagnostics, and chemical kinetics

    SciTech Connect

    Crosley, D.R.

    1992-09-01

    This project has comprised laser flame diagnostic experiments, chemical kinetics measurements, and low pressure flame studies. Collisional quenching has been investigated for several systems: the OH radical, by H{sub 2}0 in low pressure flames; the rotational level dependence for NH, including measurements to J=24; and of NH{sub 2} at room temperature. Transition probability measurements for bands involving v{prime} = 2 and 3 of the A-X system of OH were measured in a flame. Laser-induced fluorescence of vinyl radicals was unsuccessfully attempted. RRKM and transition state theory calculations were performed on the OH + C{sub 2}H{sub 4} reaction, on the t-butyl radical + HX; and transition state theory has been applied to a series of bond scission reactions. OH concentrations were measured quantitatively in low pressure H{sub 2}/N{sub 2}O and H{sub 2}/O{sub 2} flames, and the ability to determine spatially precise flame temperatures accurately using OH laser-induced fluorescence was studied.

  6. Diesel combustion: an integrated view combining laser diagnostics, chemical kinetics, and empirical validation

    SciTech Connect

    Akinyami, O C; Dec, J E; Durrett, R P; Flynn, P F; Hunter, G L; Loye, A O; Westbrook, C

    1999-02-01

    This paper proposes a structure for the diesel combustion process based on a combination of previously published and new results. Processes are analyzed with proven chemical kinetic models and validated with data from production-like direct injection diesel engines. The analysis provides new insight into the ignition and particulate formation processes, which combined with laser diagnostics, delineates the two-stage nature of combustion in diesel engines. Data are presented to quantify events occurring during the ignition and initial combustion processes that form soot precursors. A framework is also proposed for understanding the heat release and emission formation processes.

  7. CREKID: A computer code for transient, gas-phase combustion of kinetics

    NASA Technical Reports Server (NTRS)

    Pratt, D. T.; Radhakrishnan, K.

    1984-01-01

    A new algorithm was developed for fast, automatic integration of chemical kinetic rate equations describing homogeneous, gas-phase combustion at constant pressure. Particular attention is paid to the distinguishing physical and computational characteristics of the induction, heat-release and equilibration regimes. The two-part predictor-corrector algorithm, based on an exponentially-fitted trapezoidal rule, includes filtering of ill-posed initial conditions, automatic selection of Newton-Jacobi or Newton iteration for convergence to achieve maximum computational efficiency while observing a prescribed error tolerance. The new algorithm was found to compare favorably with LSODE on two representative test problems drawn from combustion kinetics.

  8. Temporal measurements and kinetics of selenium release during coal combustion and gasification in a fluidized bed.

    PubMed

    Shen, Fenghua; Liu, Jing; Zhang, Zhen; Yang, Yingju

    2016-06-01

    The temporal release of selenium from coal during combustion and gasification in a fluidized bed was measured in situ by an on-line analysis system of trace elements in flue gas. The on-line analysis system is based on an inductively coupled plasma optical emission spectroscopy (ICP-OES), and can measure concentrations of trace elements in flue gas quantitatively and continuously. The results of on-line analysis suggest that the concentration of selenium in flue gas during coal gasification is higher than that during coal combustion. Based on the results of on-line analysis, a second-order kinetic law r(x)=0.94e(-26.58/RT)(-0.56 x(2) -0.51 x+1.05) was determined for selenium release during coal combustion, and r(x)=11.96e(-45.03/RT)(-0.53 x(2) -0.56 x+1.09) for selenium release during coal gasification. These two kinetic laws can predict respectively the temporal release of selenium during coal combustion and gasification with an acceptable accuracy. Thermodynamic calculations were conducted to predict selenium species during coal combustion and gasification. The speciation of selenium in flue gas during coal combustion differs from that during coal gasification, indicating that selenium volatilization is different. The gaseous selenium species can react with CaO during coal combustion, but it is not likely to interact with mineral during coal gasification. PMID:26897573

  9. 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...

  10. The Role of Comprehensive Detailed Chemical Kinetic Reaction Mechanisms in Combustion Research

    SciTech Connect

    Westbrook, C K; Pitz, W J; Curran, H J; Mehl, M

    2008-07-16

    Recent developments by the authors in the field of comprehensive detailed chemical kinetic reaction mechanisms for hydrocarbon fuels are reviewed. Examples are given of how these mechanisms provide fundamental chemical insights into a range of combustion applications. Practical combustion consists primarily of chemical heat release from reactions between a fuel and an oxidizer, and computer simulations of practical combustion systems have become an essential tool of combustion research (Westbrook et al., 2005). At the heart of most combustion simulations, the chemical kinetic submodel frequently is the most detailed, complex and computationally costly part of a system model. Historically, the chemical submodel equations are solved using time-implicit numerical algorithms, due to the extreme stiffness of the coupled rate equations, with a computational cost that varies roughly with the cube of the number of chemical species in the model. While early mechanisms (c. 1980) for apparently simple fuels such as methane (Warnatz, 1980) or methanol (Westbrook and Dryer, 1979) included perhaps 25 species, current detailed mechanisms for much larger, more complex fuels such as hexadecane (Fournet et al., 2001; Ristori et al., 2001; Westbrook et al., 2008) or methyl ester methyl decanoate (Herbinet et al., 2008) have as many as 2000 or even 3000 species. Rapid growth in capabilities of modern computers has been an essential feature in this rapid growth in the size and complexity of chemical kinetic reaction mechanisms.

  11. Probing Aluminum Reactions in Combustion and Explosion Via the Kinetic Isotope Effect

    NASA Astrophysics Data System (ADS)

    Tappan, Bryce

    2015-06-01

    The mechanism that controls the reaction speed of aluminum in explosion and combustion is poorly understood, and experimentally difficult to measure. Recently, work in our laboratory has demonstrated that during the combustion of nanoparticulate aluminum with H2O or D2O, different reaction rates due to the kinetic isotope effect are observed. This result is the first-ever observed kinetic isotope effect in a metal combustion reaction and verifies that chemical reaction kinetics play a major role in determining the global burning rate. During or shortly after a detonation, however, the reaction rates are dramatically faster and the physical mechanism controlling Al reaction is likely different than during combustion events. To utilize the kinetic isotope effect to probe Al reactions in detonation, formulations were produced that contain powdered Al in deuterated high explosives and high-fidelity detonation velocity were determined along with PDV measurements to observe early wall velocity expansion measurements. The JWL equation of state was solved to determine temperature, pressure and energies at specific time periods, in addition of Gurney energies, which enables the elucidation of Al reaction extent. By comparison of the Al oxidation with LiF, data indicate that Al oxidation occurs on an extremely fast time scale and isotope effects in both the HE detonation and post-detonation Al reactions are discussed.

  12. Evidence of a kinetic isotope effect in nanoaluminum and water combustion.

    PubMed

    Tappan, Bryce C; Dirmyer, Matthew R; Risha, Grant A

    2014-08-25

    The normally innocuous combination of aluminum and water becomes violently reactive on the nanoscale. Research in the field of the combustion of nanoparticulate aluminum has important implications in the design of molecular aluminum clusters, hydrogen storage systems, as well as energetic formulations which could use extraterrestrial water for space propulsion. However, the mechanism that controls the reaction speed is poorly understood. While current models for micron-sized aluminum water combustion reactions place heavy emphasis on diffusional limitations, as reaction scales become commensurate with diffusion lengths (approaching the nanoscale) reaction rates have long been suspected to depend on chemical kinetics, but have never been definitely measured. The combustion analysis of nanoparticulate aluminum with H2O or D2O is presented. Different reaction rates resulting from the kinetic isotope effect are observed. The current study presents the first-ever observed kinetic isotope effect in a metal combustion reaction and verifies that chemical reaction kinetics play a major role in determining the global burning rate. PMID:24943658

  13. Correlation between the mineral matter and the combustion kinetics of some Turkish lignites

    SciTech Connect

    Haykiri-Acma, H.; Yavuz, R.; Ersoy-Mericboyu, A.; Kuecuekbayrak, S.

    1996-12-31

    Coal is a complex mixture of organic and inorganic materials. The inorganic portion of coal is the sum of all mineral matter and inorganically bound elements that are present in coal. Coal contains significant and variable amounts of largely incombustible mineral matter which could influence the combustion characteristics of it, which is important in the design of coal fired boilers. In this investigation, kinetic evaluation of the combustion TG curves obtained at defined conditions for 23 Turkish lignites was achieved. A computer program in BASIC which enables regression analysis to be carried out was used to obtain the kinetic parameters from experimental nonisothermal TG data. In the kinetic analysis of curves 20 different model equations of possible solid-state rate controlling mechanism were considered. It was found that experimental TG curves were correlated well with Prout-Tompkins` model equation. Calculated activation energy values of lignites were correlated with their Ca, Mg, K and Na contents.

  14. Chemical kinetic simulation of kerosene combustion in an individual flame tube

    PubMed Central

    Zeng, Wen; Liang, Shuang; Li, Hai-xia; Ma, Hong-an

    2013-01-01

    The use of detailed chemical reaction mechanisms of kerosene is still very limited in analyzing the combustion process in the combustion chamber of the aircraft engine. In this work, a new reduced chemical kinetic mechanism for fuel n-decane, which selected as a surrogate fuel for kerosene, containing 210 elemental reactions (including 92 reversible reactions and 26 irreversible reactions) and 50 species was developed, and the ignition and combustion characteristics of this fuel in both shock tube and flat-flame burner were kinetic simulated using this reduced reaction mechanism. Moreover, the computed results were validated by experimental data. The calculated values of ignition delay times at pressures of 12, 50 bar and equivalence ratio is 1.0, 2.0, respectively, and the main reactants and main products mole fractions using this reduced reaction mechanism agree well with experimental data. The combustion processes in the individual flame tube of a heavy duty gas turbine combustor were simulated by coupling this reduced reaction mechanism of surrogate fuel n-decane and one step reaction mechanism of surrogate fuel C12H23 into the computational fluid dynamics software. It was found that this reduced reaction mechanism is shown clear advantages in simulating the ignition and combustion processes in the individual flame tube over the one step reaction mechanism. PMID:25685503

  15. Chemical kinetic simulation of kerosene combustion in an individual flame tube.

    PubMed

    Zeng, Wen; Liang, Shuang; Li, Hai-Xia; Ma, Hong-An

    2014-05-01

    The use of detailed chemical reaction mechanisms of kerosene is still very limited in analyzing the combustion process in the combustion chamber of the aircraft engine. In this work, a new reduced chemical kinetic mechanism for fuel n-decane, which selected as a surrogate fuel for kerosene, containing 210 elemental reactions (including 92 reversible reactions and 26 irreversible reactions) and 50 species was developed, and the ignition and combustion characteristics of this fuel in both shock tube and flat-flame burner were kinetic simulated using this reduced reaction mechanism. Moreover, the computed results were validated by experimental data. The calculated values of ignition delay times at pressures of 12, 50 bar and equivalence ratio is 1.0, 2.0, respectively, and the main reactants and main products mole fractions using this reduced reaction mechanism agree well with experimental data. The combustion processes in the individual flame tube of a heavy duty gas turbine combustor were simulated by coupling this reduced reaction mechanism of surrogate fuel n-decane and one step reaction mechanism of surrogate fuel C12H23 into the computational fluid dynamics software. It was found that this reduced reaction mechanism is shown clear advantages in simulating the ignition and combustion processes in the individual flame tube over the one step reaction mechanism. PMID:25685503

  16. An experimental and kinetic modeling study of n-propanol and iso-propanol combustion

    SciTech Connect

    Frassoldati, Alessio; Cuoci, Alberto; Faravelli, Tiziano; Ranzi, Eliseo; Niemann, Ulrich; Seiser, Reinhard; Seshadri, Kalyanasundaram

    2010-01-15

    A kinetic model is developed to describe combustion of n-propanol and iso-propanol. It is validated by comparing predictions made using this kinetic model with new experimental data on structures of counterflow non-premixed flames and previously reported data over a wide range of configurations and conditions. The elementary pyrolysis reactions of methanol and ethanol are well-known and were used as a starting point for extension to propanol. A detailed description leading to evaluation of rate constants for initiation reactions, metathesis reactions, decomposition reactions, and four-center molecular dehydration reactions are given. Decomposition and oxidation of primary intermediate products are described using a previously developed semi-detailed kinetic model for hydrocarbon fuels. The kinetic mechanism is made up of more than 7000 reactions among 300 species. The structures of counterflow non-premixed flames were measured by removing gas samples from the flame and analyzing the samples using a gas chromatograph. The flame structures were measured under similar conditions for both fuels to elucidate the similarities and differences in combustion characteristics of the two isomers. The profiles measured include those of formaldehyde, acetaldehyde, propanal, and acetone. These species are considered to be pollutants. Validation of the kinetic model was first performed by comparing predictions with experimental data reported in the literature obtained in flow reactors and shock tubes. In these configurations, combustion is not influenced by molecular transport. The agreement between the kinetic model and experimental data was satisfactory. The predictions of the kinetic model were then compared with new and previously reported experimental data on structures of counterflow non-premixed flames of both isomers. The agreement between the kinetic model and experimental data was again satisfactory. Satisfactory agreement was also obtained when the predictions of the

  17. Bio-butanol: Combustion properties and detailed chemical kinetic model

    SciTech Connect

    Black, G.; Curran, H.J.; Pichon, S.; Simmie, J.M.; Zhukov, V.

    2010-02-15

    Autoignition delay time measurements were performed at equivalence ratios of 0.5, 1 and 2 for butan-1-ol at reflected shock pressures of 1, 2.6 and 8 atm at temperatures from 1100 to 1800 K. High-level ab initio calculations were used to determine enthalpies of formation and consequently bond dissociation energies for each bond in the alcohol. A detailed chemical kinetic model consisting of 1399 reactions involving 234 species was constructed and tested against the delay times and also against recent jet-stirred reactor speciation data with encouraging results. The importance of enol chemistry is highlighted. (author)

  18. General chemical kinetics computer program for static and flow reactions, with application to combustion and shock-tube kinetics

    NASA Technical Reports Server (NTRS)

    Bittker, D. A.; Scullin, V. J.

    1972-01-01

    A general chemical kinetics program is described for complex, homogeneous ideal-gas reactions in any chemical system. Its main features are flexibility and convenience in treating many different reaction conditions. The program solves numerically the differential equations describing complex reaction in either a static system or one-dimensional inviscid flow. Applications include ignition and combustion, shock wave reactions, and general reactions in a flowing or static system. An implicit numerical solution method is used which works efficiently for the extreme conditions of a very slow or a very fast reaction. The theory is described, and the computer program and users' manual are included.

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

    SciTech Connect

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

    1981-03-01

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

  20. PROGRESS IN DETAILED KINETIC MODELING OF THE COMBUSTION OF OXYGENATED COMPONENTS OF BIOFUELS

    PubMed Central

    Sy Tran, Luc; Sirjean, Baptiste; Glaude, Pierre-Alexandre; Fournet, René; Battin-Leclerc, Frédérique

    2013-01-01

    Due to growing environmental concerns and diminishing petroleum reserves, a wide range of oxygenated species has been proposed as possible substitutes to fossil fuels: alcohols, methyl esters, acyclic and cyclic ethers. After a short review the major detailed kinetic models already proposed in the literature for the combustion of these molecules, the specific classes of reactions considered for modeling the oxidation of acyclic and cyclic oxygenated molecules respectively, are detailed. PMID:23700355

  1. Experimental and kinetic modeling of oxygen-enriched air combustion of municipal solid waste.

    PubMed

    Liu, Guo Hui; Ma, Xiao Qian; Yu, Zhaosheng

    2009-02-01

    The characteristics of oxygen-enriched air combustion of raw municipal solid waste (MSW) were studied by thermogravimetric analysis. Experiments on oxidative pyrolysis of MSW were carried out under different atmospheres (N(2), N(2):O(2)=7:3, N(2):O(2)=5:5, N(2):O(2)=4:6, and N(2):O(2)=2:8) at 30 degrees C/min. Two distinct peaks of weight loss were obtained according to the derivative thermogravimetric curves; one of them is centered on 305 degrees C with about 40% weight loss, and the second is centered on 420 degrees C with about 20% weight loss. Effects of oxygen concentration on the decomposition process and char combustion were analyzed, and then the process of oxygen-enriched air combustion of MSW was divided into four steps. Kinetic parameters were observed by direct non-linear regressions. According to the obtained data, the apparent activation energy and reaction order decreases along with the combustion process, while that of char combustion increases as oxygen concentration increases. PMID:18691862

  2. Combustion in Homogeneous Charge Compression Ignition Engines: Experiments and Detailed Chemical Kinetic Simulations

    SciTech Connect

    Flowers, D L

    2002-06-07

    Homogeneous charge compression ignition (HCCI) engines are being considered as an alternative to diesel engines. The HCCI concept involves premixing fuel and air prior to induction into the cylinder (as is done in current spark-ignition engine) then igniting the fuel-air mixture through the compression process (as is done in current diesel engines). The combustion occurring in an HCCI engine is fundamentally different from a spark-ignition or Diesel engine in that the heat release occurs as a global autoignition process, as opposed to the turbulent flame propagation or mixing controlled combustion used in current engines. The advantage of this global autoignition is that the temperatures within the cylinder are uniformly low, yielding very low emissions of oxides of nitrogen (NO{sub x}, the chief precursors to photochemical smog). The inherent features of HCCI combustion allows for design of engines with efficiency comparable to, or potentially higher than, diesel engines. While HCCI engines have great potential, several technical barriers exist which currently prevent widespread commercialization of this technology. The most significant challenge is that the combustion timing cannot be controlled by typical in-cylinder means. Means of controlling combustion have been demonstrated, but a robust control methodology that is applicable to the entire range of operation has yet to be developed. This research focuses on understanding basic characteristics of controlling and operating HCCI engines. Experiments and detailed chemical kinetic simulations have been applied to the characterize some of the fundamental operational and design characteristics of HCCI engines. Experiments have been conducted on single and multi-cylinder engines to investigate general features of how combustion timing affects the performance and emissions of HCCI engines. Single-zone modeling has been used to characterize and compare the implementation of different control strategies. Multi

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

    SciTech Connect

    Grout, Ray W

    2012-01-01

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

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

    SciTech Connect

    Sankaran, R.; Grout, R.

    2012-01-01

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

  5. An Experimental and Chemical Kinetics Study of the Combustion of Syngas and High Hydrogen Content Fuels

    SciTech Connect

    Santoro, Robers; Dryer, Frederick; Ju, Yiguang

    2013-09-30

    An integrated and collaborative effort involving experiments and complementary chemical kinetic modeling investigated the effects of significant concentrations of water and CO2 and minor contaminant species (methane [CH4], ethane [C2H6], NOX, etc.) on the ignition and combustion of HHC fuels. The research effort specifically addressed broadening the experimental data base for ignition delay, burning rate, and oxidation kinetics at high pressures, and further refinement of chemical kinetic models so as to develop compositional specifications related to the above major and minor species. The foundation for the chemical kinetic modeling was the well validated mechanism for hydrogen and carbon monoxide developed over the last 25 years by Professor Frederick Dryer and his co-workers at Princeton University. This research furthered advance the understanding needed to develop practical guidelines for realistic composition limits and operating characteristics for HHC fuels. A suite of experiments was utilized that that involved a high-pressure laminar flow reactor, a pressure-release type high-pressure combustion chamber and a high-pressure turbulent flow reactor.

  6. An experimental and kinetic modeling study of combustion of isomers of butanol

    SciTech Connect

    Grana, Roberto; Frassoldati, Alessio; Faravelli, Tiziano; Ranzi, Eliseo; Niemann, Ulrich; Seiser, Reinhard; Cattolica, Robert; Seshadri, Kalyanasundaram

    2010-11-15

    A kinetic model is developed to describe combustion of isomers of butanol - n-butanol (n-C{sub 4}H{sub 9}OH), sec-butanol (sec-C{sub 4}H{sub 9}OH), iso-butanol (iso-C{sub 4}H{sub 9}OH), and tert-butanol (tert-C{sub 4}H{sub 9}OH). A hierarchical approach is employed here. This approach was previously found to be useful for developing detailed and semi-detailed mechanism of oxidation of various hydrocarbon fuels. This method starts from lower molecular weight compounds of a family of species and proceeds to higher molecular weight compounds. The pyrolysis and oxidation mechanisms of butanol isomers are similar to those for hydrocarbon fuels. Here, the development of the complete set of the primary propagation reactions for butanol isomers proceeds from the extension of the kinetic parameters for similar reactions already studied and recently revised for ethanol, n-propanol and iso-propanol. A detailed description leading to evaluation of rate constants for initiation reactions, metathesis reactions, decomposition reactions of alkoxy radicals, isomerization reactions, and four-center molecular dehydration reactions are given. Decomposition and oxidation of primary intermediate products are described using a previously developed semi-detailed kinetic model for hydrocarbon fuels. The kinetic mechanism is made up of more than 7000 reactions among 300 species. The model is validated by comparing predictions made using this kinetic model with previous and new experimental data on counterflow non-premixed flames of n-butanol and iso-butanol. The structures of these flames were measured by removing gas samples from the flame and analyzing them using a gas chromatograph. Temperature profiles were measured using coated thermocouples. The flame structures were measured under similar conditions for both fuels to elucidate the similarities and differences in combustion characteristics of the two isomers. The profiles measured include those of butanol, oxygen, carbon dioxide

  7. Ignition Quality Tester (IQT): An Alternative for Characterizing the Combustion Kinetics of Low Volatility Fuels

    SciTech Connect

    Osecky, E.; Bogin, G.; Ratcliff, M.; Luecke, J.; Chen, J. Y.; Zigler, B. T.

    2013-01-01

    The Ignition Quality Tester (IQT) is a constant volume spray combustion system that can be heated and pressurized to conditions that are similar to a diesel engine at top dead center. With no moving parts and the ability to handle low volatility fuels, the IQT can be a bridge between engines and traditional methods for studying chemical kinetics. By comparing experimental data with model predictions, the IQT has been used to validate skeletal kinetic models of ignition. CFD modeling of the IQT using KIVA-3V was used to predict ignition of n-heptane accurately. Operating the IQT in a regime where chemical kinetics dominates (long ignition delays) allowed NTC behavior to be observed for some isomers of heptane. Experimental results with the low volatility fuel heptamethylnonane also show NTC behavior. At long ignition delays, experimental results can be compared with 0-D detailed chemical mechanisms.

  8. Pyrolysis and oxy-fuel combustion characteristics and kinetics of petrochemical wastewater sludge using thermogravimetric analysis.

    PubMed

    Chen, Jianbiao; Mu, Lin; Cai, Jingcheng; Yao, Pikai; Song, Xigeng; Yin, Hongchao; Li, Aimin

    2015-12-01

    The pyrolysis and oxy-fuel combustion characteristics of petrochemical wastewater sludge (PS) were studied in air (O2/N2) and oxy-fuel (O2/CO2) atmospheres using non-isothermal thermogravimetric analysis (TGA). Pyrolysis experiments showed that the weight loss profiles were almost similar up to 1050K in both N2 and CO2 atmospheres, while further weight loss took place in CO2 atmosphere at higher temperatures due to char-CO2 gasification. Compared with 20%O2/80%N2, the drying and devolatilization stage of PS were delayed in 20%O2/80%CO2 due to the differences in properties of the diluting gases. In oxy-fuel combustion experiments, with O2 concentration increasing, characteristic temperatures decreased, while characteristic combustion rates and combustion performance indexes increased. Kinetic analysis of PS decomposition under various atmospheres was performed using Coats-Redfern approach. The results indicated that, with O2 concentration increasing, the activation energies of Step 1 almost kept constant, while the values of subsequent three steps increased. PMID:26386413

  9. A critical analysis of the accuracy of several numerical techniques for combustion kinetic rate equations

    NASA Technical Reports Server (NTRS)

    Radhadrishnan, Krishnan

    1993-01-01

    A detailed analysis of the accuracy of several techniques recently developed for integrating stiff ordinary differential equations is presented. The techniques include two general-purpose codes EPISODE and LSODE developed for an arbitrary system of ordinary differential equations, and three specialized codes CHEMEQ, CREK1D, and GCKP4 developed specifically to solve chemical kinetic rate equations. The accuracy study is made by application of these codes to two practical combustion kinetics problems. Both problems describe adiabatic, homogeneous, gas-phase chemical reactions at constant pressure, and include all three combustion regimes: induction, heat release, and equilibration. To illustrate the error variation in the different combustion regimes the species are divided into three types (reactants, intermediates, and products), and error versus time plots are presented for each species type and the temperature. These plots show that CHEMEQ is the most accurate code during induction and early heat release. During late heat release and equilibration, however, the other codes are more accurate. A single global quantity, a mean integrated root-mean-square error, that measures the average error incurred in solving the complete problem is used to compare the accuracy of the codes. Among the codes examined, LSODE is the most accurate for solving chemical kinetics problems. It is also the most efficient code, in the sense that it requires the least computational work to attain a specified accuracy level. An important finding is that use of the algebraic enthalpy conservation equation to compute the temperature can be more accurate and efficient than integrating the temperature differential equation.

  10. Application of model-free methods for analysis of combustion kinetics of coals with different ranks

    SciTech Connect

    Sis, H

    2009-07-01

    Model-free kinetic approaches were employed to investigate the combustion kinetics of coals with different ranks, namely, lignite, bituminous coal, and anthracite. The experimental data were provided under non-isothermal conditions at different heating rates in the range of 2-25C min{sup -1}. The activation energy values were estimated by two model-free methods, that is, Ozawa-Flynn-Wall and Kissinger-Akahira-Sunose methods. Slightly higher activation energy values were obtained by Ozawa-Flynn-Wall method at a wide range of conversion extent. Variation of activation energy was found to be comparably more significant for lower rank lignite (between 44.82 and 287.56 kJ mol{sup -1}) while less significant for higher rank bituminous coal (between 101.97 and 155.64 kJ mol{sup -1}) and anthracite (between 106.04 and 160.31 kJ mol{sup -1}).

  11. Pyrolysis and combustion kinetics of date palm biomass using thermogravimetric analysis.

    PubMed

    Sait, Hani H; Hussain, Ahmad; Salema, Arshad Adam; Ani, Farid Nasir

    2012-08-01

    The present research work is probably the first attempt to focus on the kinetics of pyrolysis and combustion process for date palm biomass wastes like seed, leaf and leaf stem by using Thermogravimetric Analysis (TGA) technique. The physical properties of biomass wastes were also examined. Proximate and ultimate analysis of the date palm biomass was investigated. FT-IR analysis was conducted to determine possible chemical functional groups in the biomass. Results showed that date palm seed and leaf can be characterized as high calorific values and high volatile content biomass materials as compared to the leaf stem. Kinetic analysis of this biomass was also given a particular attention. It is concluded that these biomasses can become useful source of energy, chemicals and bio-char. PMID:22705960

  12. Combustion behavior and kinetics of low-lipid microalgae via thermogravimetric analysis.

    PubMed

    Gai, Chao; Liu, Zhengang; Han, Guanghua; Peng, Nana; Fan, Aonan

    2015-04-01

    Thermogravimetric analysis and differential thermal analysis were employed to investigate combustion characteristics of two low-lipid microalgae, Chlorella pyrenoidosa (CP) and Spirulina platensis (SP) and iso-conversional Starink approach was used to calculate the kinetic parameters in the present study. The results showed that three stages of mass loss, including dehydration, devolatilization and char oxidation, were observed during combustion of both of two low-lipid microalgae. The whole weight loss of combustion of two microalgae was both shifted to higher temperature zones with increased heating rates from 10 to 40 K/min. In the 0.1-0.9 conversion range, the apparent activation energy of CP increased first from 51.96 to 79.53 kJ/mol, then decreased to 55.59 kJ/mol. Finally, it slightly increased to 67.27 kJ/mol. In the case of SP, the apparent activation energy gradually increased from 68.51 to 91.06 kJ/mol. PMID:25647025

  13. Combustion reaction kinetics of guarana seed residue applying isoconversional methods and consecutive reaction scheme.

    PubMed

    Lopes, Fernanda Cristina Rezende; Tannous, Katia; Rueda-Ordóñez, Yesid Javier

    2016-11-01

    This work aims the study of decomposition kinetics of guarana seed residue using thermogravimetric analyzer under synthetic air atmosphere applying heating rates of 5, 10, and 15°C/min, from room temperature to 900°C. Three thermal decomposition stages were identified: dehydration (25.1-160°C), oxidative pyrolysis (240-370°C), and combustion (350-650°C). The activation energies, reaction model, and pre-exponential factor were determined through four isoconversional methods, master plots, and linearization of the conversion rate equation, respectively. A scheme of two-consecutive reactions was applied validating the kinetic parameters of first-order reaction and two-dimensional diffusion models for the oxidative pyrolysis stage (149.57kJ/mol, 6.97×10(10)1/s) and for combustion stage (77.98kJ/mol, 98.611/s), respectively. The comparison between theoretical and experimental conversion and conversion rate showed good agreement with average deviation lower than 2%, indicating that these results could be used for modeling of guarana seed residue. PMID:27513645

  14. A Computer Generated Reduced Iso-Octane Chemical Kinetic Mechanism Applied to Simulation of HCCI Combustion

    SciTech Connect

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

    2002-08-12

    This paper shows how a computer can systematically remove non-essential chemical reactions from a large chemical kinetic mechanism. The computer removes the reactions based upon a single solution using a detailed mechanism. The resulting reduced chemical mechanism produces similar numerical predictions significantly faster than predictions that use the detailed mechanism. Specifically, a reduced chemical kinetics mechanism for iso-octane has been derived from a detailed mechanism by eliminating unimportant reaction steps and species. The reduced mechanism has been developed for the specific purpose of fast and accurate prediction of ignition timing in an HCCI engine. The reduced mechanism contains 199 species and 383 reactions, while the detailed mechanism contains 859 species and 3606 reactions. Both mechanisms have been used in numerical simulation of HCCI combustion. The simulations show that the reduced mechanism predicts pressure traces and heat release with good accuracy, similar to the accuracy obtained with the detailed mechanism. As may be expected, emissions of hydrocarbon and carbon monoxide are not as well predicted with the reduced mechanism as with the detailed mechanism, since the reduced mechanism was targeted for predicting HCCI ignition and not HC and CO emissions. Considering that the reduced mechanism requires about 25 times less computational time than the detailed mechanism (2 hours vs. 2 days), the ability to automatically generate a problem specific reduced mechanism is an important new tool for combustion research in general.

  15. Premixed hydrocarbon stagnation flames : experiments and simulations to validate combustion chemical-kinetic models

    NASA Astrophysics Data System (ADS)

    Benezech, Laurent Jean-Michel

    A methodology based on the comparison of flame simulations relying on reacting flow models with experiment is applied to C1-C3 stagnation flames. The work reported targets the assessment and validation of the modeled reactions and reaction rates relevant to (C1-C3)-flame propagation in several detailed combustion kinetic models. A concensus does not, as yet, exist on the modeling of the reasonably well-understood oxidation of C1-C2 flames, and a better knowledge of C3 hydrocarbon combustion chemistry is required before attempting to bridge the gap between the oxidation of C1-C2 hydrocarbons and the more complex chemistry of heavier hydrocarbons in a single kinetic model. Simultaneous measurements of velocity and CH-radical profiles were performed in atmospheric propane(C3H8)- and propylene(C3H6)-air laminar premixed stagnation flames stabilized in a jet-wall configuration. These nearly-flat flames can be modeled by one-dimensional simulations, providing a means to validate kinetic models. Experimental data for these C3 flames and similar experimental data for atmospheric methane(CH4)-, ethane(C2H6)-, and ethylene(C2H4)-air flames are compared to numerical simulations performed with a one-dimensional hydrodynamic model, a multi-component transport formulation including thermal diffusion, and different detailed-chemistry models, in order to assess the adequacy of the models employed. A novel continuation technique between kinetic models was developed and applied successfully to obtain solutions with the less-robust models. The 2005/12 and 2005/10 releases of the San Diego mechanism are found to have the best overall performance in C3H8 and C3H6 flames, and in CH4, C2H6, and C2H4 flames, respectively. Flame position provides a good surrogate for flame speed in stagnation-flow stabilized flames. The logarithmic sensitivities of the simulated flame locations to variations in the kinetic rates are calculated via the "brute-force" method for fifteen representative flames

  16. Modelling and kinetics studies of a corn-rape blend combustion in an oxy-fuel atmosphere.

    PubMed

    López, R; Fernández, C; Martínez, O; Sánchez, M E

    2015-05-01

    A kinetic oxy-combustion study of a previously optimized lignocellulose blend is proposed. Kinetic and diffusion control mechanism are considered. The proposed correlations fit properly with the experimental results and diffusion effects are identified as be important enough to be taken into account. Afterwards, with the results obtained in the kinetic study, a detailed consecutive and parallel kinetic scheme is proposed for modelling the oxy-combustion of the blend. A discussion of the temperature and concentration profiles are included. Variation of products final distribution is considered. Smaller particles than 0.001 m are proposed for reducing temperature and concentration profiles and obtaining a good final product distribution. CO2-char reaction is identified as one of the most important step to be optimized for obtaining the lowest final residue. In this study, char is mainly oxidised at 950 K and this situation is attributed to an optimized blending of the bioresidues. PMID:25731924

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

    SciTech Connect

    Aceves, S M; Flowers, D L; Martinez-Frias, J; Smith, J R; Westbrook, C; Pitz, W; Dibble, R; Wright, J F; Akinyemi, W C; Hessel, R P

    2000-11-29

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

  18. Reaction rate kinetics for in situ combustion retorting of Michigan Antrim oil shale

    USGS Publications Warehouse

    Rostam-Abadi, M.; Mickelson, R.W.

    1984-01-01

    The intrinsic reaction rate kinetics for the pyrolysis of Michigan Antrim oil shale and the oxidation of the carbonaceous residue of this shale have been determined using a thermogravimetric analysis method. The kinetics of the pyrolysis reaction were evaluated from both isothermal and nonisothermal rate data. The reaction was found to be second-order with an activation energy of 252.2 kJ/mole, and with a frequency factor of 9.25 ?? 1015 sec-1. Pyrolysis kinetics were not affected by heating rates between 0.01 to 0.67??K/s. No evidence of any reactions among the oil shale mineral constituents was observed at temperatures below 1173??K. However, it was found that the presence of pyrite in oil shale reduces the primary devolatilization rate of kerogen and increases the amount of residual char in the spent shale. Carbonaceous residues which were prepared by heating the oil shale at a rate of 0.166??K/s to temperatures between 923??K and 1073??K, had the highest reactivities when oxidized at 0.166??K/s in a gas having 21 volume percent oxygen. Oxygen chemisorption was found to be the initial precursor to the oxidation process. The kinetics governing oxygen chemisorption is (Equation Presented) where X is the fractional coverage. The oxidation of the carbonaceous residue was found also to be second-order. The activation energy and the frequency factor determined from isothermal experiments were 147 kJ/mole and 9.18??107 sec-1 respectively, while the values of these parameters obtained from a nonisothermal experiment were 212 kJ/mole and 1.5??1013 sec-1. The variation in the rate constants is attributed to the fact that isothermal and nonisothermal analyses represent two different aspects of the combustion process.

  19. Numerical simulation of Jet-A combustion approximated by improved propane chemical kinetics

    NASA Technical Reports Server (NTRS)

    Ying, Shuh-Jing; Nguyen, Hung Lee

    1991-01-01

    Through the effort devoted to the chemical kinetics for propane air combustion, three mechanisms are developed. The full mechanism consists of 131 reactions. This mechanism is used as a guide for the evaluation of other mechanisms, but because of the long expected cpu time, it is not to be incorporated into the computer code KIVA-II for actual simulation. Through the sensitivity analysis, a reduced mechanism of 45 reactions is produced. But the calculated results from the 45 reaction mechanism are always low in temperature. Some efforts are devoted to correct this situation and details are included in this report. A simplified mechanism of reactions is successfully improved and computed results are compared with experimental data. Contour plots of physical parameters and species concentrations and results for emission indices of CO and NOx are presented.

  20. Kinetic mechanism for low-pressure oxygen/methane ignition and combustion

    NASA Astrophysics Data System (ADS)

    Slavinskaya, N. A.; Wiegand, M.; Starcke, J. H.; Riedel, U.; Haidn, O. J.; Suslov, D.

    2013-03-01

    It is known that during a launch of a rocket, the interaction of the exhaust gases of rocket engines with the atmosphere causes a local depletion of the ozone layer. In order to study these chemical processes in detail, a chemical reaction mechanism of the methane oxidation appropriate for high- and low-pressure conditions and a chemical reactor network to reproduce operating conditions in rocket engines and in the environment have been developed. An earlier developed detailed chemical kinetic model for the high-pressure CH4/O2 combustion has been improved for the low pressure and low temperature methane combustion and augmented with a submodel for NOx formation. The main model improvements are related to the pressure depending reactions. The model has been validated for operating conditions of 0.02 < p < 100 atm, 300 < T < 1800 K and 0.5 < Φ < 3.0. The network of chemical reactors available in CHEMICAL WORKBENCH software has been successfully developed to simulate chemical processes in the convergent divergent rocket nozzle and in the exhaust-jet. Simulations performed have shown that the exhaust gases of a methane/oxygen propelled liquid rocket engine contain high amounts of active radicals, which can influence the formation of nitrogen compounds and consume ozone in the atmosphere.

  1. Kinetic measurements on elementary fossil fuel combustion reactions over wide temperatures ranges

    SciTech Connect

    Fontijin, A.

    1992-01-01

    The goals of this work are to provide accurate data on the temperature dependence of the kinetics of elementary combustion reactions (i) for use by combustion modelers, and (ii) to gain a better fundamental understanding of, and hence predictive ability for, the chemistry involved. Experimental measurements are made using the pseudo-static HTP (high-temperature photochemistry) technique. This approach allows observations on single reactions in the 300 to 1800 K temperature range to be made. Typical total (bath gas) pressures are in the 100 to 1000 mbar range. Ground-state O and H atoms are produced by flash or excimer laser photolysis of suitable precursors (O{sub 2}, CO{sub 2}, SO{sub 2}, NH{sub 3}). The relative atom concentrations are monitored by resonance fluorescence pumped by a cw microwave discharge flow lamp. The molecular reactant-in-excess is introduced through a cooled inlet. Adequate time for mixing, 0.1 to 10 s, between this inlet and the photolysis/observation zone is achieved by using slow flows (typically less than 20 cm s{sup {minus}1}). Results are reported for: O-Atom Reactions with the Four Isomeric Butenes, H + HCl {yields} H{sub 2} + Cl, and the O-atom 1,3-butadiene reaction.

  2. Kinetics of heterogeneous reactions of carbon and oxygen during combustion of porous carbon particles in oxygen

    SciTech Connect

    Gremyachkin, V.M.

    2006-05-15

    A model of combustion of a high-porosity carbon particle in oxygen is considered, which takes into account heterogeneous and homogeneous chemical reactions inside the particles and radiative heat transfer. The boundaries of the domain where the burning rate depends on the particle temperature are determined. The possibility of two combustion regimes is demonstrated: regime with a high burning rate, where the carbon-oxygen reaction proceeds in a layer adjacent to the particle surface, and regime with a low burning rate, where the reaction proceeds in the entire particle volume. In the regime with a high burning rate, the main product of the reaction between carbon and oxygen is carbon monoxide, whereas both carbon monoxide and carbon dioxide can be formed in the regime with a low burning rate. The kinetic equations of heterogeneous reactions C + O{sub 2} = CO{sub 2} and 2C + O{sub 2} = 2CO are determined, which reveal the retarding effect of carbon monoxide and dioxide on the rates of these reactions.

  3. A reduced chemical kinetic model for IC engine combustion simulations with primary reference fuels

    SciTech Connect

    Ra, Youngchul; Reitz, Rolf D.

    2008-12-15

    A reduced chemical kinetic mechanism for the oxidation of primary reference fuel (PRF) has been developed and applied to model internal combustion engines. Starting from an existing reduced reaction mechanism for n-heptane oxidation, a new reduced n-heptane mechanism was generated by including an additional five species and their relevant reactions, by updating the reaction rate constants of several reactions pertaining to oxidation of carbon monoxide and hydrogen, and by optimizing reaction rate constants of selected reactions. Using a similar approach, a reduced mechanism for iso-octane oxidation was built and combined with the n-heptane mechanism to form a PRF mechanism. The final version of the PRF mechanism consists of 41 species and 130 reactions. Validation of the present PRF mechanism was performed with measurements from shock tube tests, and HCCI and direct injection engine experiments available in the literature. The results show that the present PRF mechanism gives reliable performance for combustion predictions, as well as computational efficiency improvements for multidimensional CFD simulations. (author)

  4. Fast Prediction of HCCI and PCCI Combustion with an Artificial Neural Network-Based Chemical Kinetic Model

    SciTech Connect

    Piggott, W T; Aceves, S M; Flowers, D L; Chen, J Y

    2007-09-26

    We have added the capability to look at in-cylinder fuel distributions using a previously developed ignition model within a fluid mechanics code (KIVA3V) that uses an artificial neural network (ANN) to predict ignition (The combined code: KIVA3V-ANN). KIVA3V-ANN was originally developed and validated for analysis of Homogeneous Charge Compression Ignition (HCCI) combustion, but it is also applicable to the more difficult problem of Premixed Charge Compression Ignition (PCCI) combustion. PCCI combustion refers to cases where combustion occurs as a nonmixing controlled, chemical kinetics dominated, autoignition process, where the fuel, air, and residual gas mixtures are not necessarily as homogeneous as in HCCI combustion. This paper analyzes the effects of introducing charge non-uniformity into a KIVA3V-ANN simulation. The results are compared to experimental results, as well as simulation results using a more physically representative and computationally intensive code (KIVA3V-MPI-MZ), which links a fluid mechanics code to a multi-zone detailed chemical kinetics solver. The results indicate that KIVA3V-ANN produces reasonable approximations to the more accurate KIVA3V-MPI-MZ at a much reduced computational cost.

  5. Oxidation kinetics of the combustible fraction of construction and demolition wastes.

    PubMed

    Chang, N B; Lin, K S; Sun, Y P; Wang, H P

    2001-01-01

    Proper disposal of construction and demolition wastes (CDW) has received wide attention recently due to significantly large quantities of waste streams collected from razed or retrofitted buildings in many metropolitan regions. Burning the combustible fractions of CDW (CCDW) and possibly recovering part of the heat content for economic uses could be valuable for energy conservation. This paper explores the oxidation kinetics of CCDW associated with its ash characterization. Kinetic parameters for the oxidation of CCDW were numerically calculated using thermal gravimetric analysis (TGA) and the resultant rate equations were therefore developed for illustrating the oxidation processes of CCDW simultaneously. Based on three designated heating rates, each of the oxidation processes can be featured distinctively with five different stages according to the rate of weight change at the temperature between 300 K and 923 K. In addition, Fourier transform infrared (FTIR) spectroscopy was employed, associated with a lab-scale fixed-bed incinerator for monitoring the composition of flue gas. Carbon dioxide (CO2) was found as a major component in the flue gas. The fuel analysis also included an ash composition analysis via the use of X-ray powder diffraction (XRD), atomic absorption (AA) spectroscopy, inductively coupled plasma-atomic emission spectroscopy (ICP-AES), and scanning electron microscopy-energy dispersive spectroscopy (SEM-EDX). The ash streams were identified as nonhazardous materials based on the toxicity characteristic leaching procedure (TCLP). Overall, the scientific findings gained in this study will be helpful for supporting a sound engineering design of real-world CCDW incineration systems. PMID:11476518

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

    SciTech Connect

    Marzouk, OA; ED, Huckaby

    2010-09-01

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

  7. The kinetics of the combustion of trichloroethylene for low Cl/H ratios

    SciTech Connect

    Werner, J.H.; Cool, T.A.

    2000-01-01

    A kinetic model has been developed for the combustion of trichloroethylene (TCE) under low Cl/H ratio conditions. Flame species concentration profiles, measured for CH{sub 4}/O{sub 2}/Ar flames, reveal that the most important reaction channels in the decomposition of TCE in the CH{sub 4}/TCE/O{sub 2}/Ar flame are the displacement by H atoms of Cl atoms from TCE,1,1-dichloroethylene (DCE), and vinyl chloride. The displacement of Cl atoms from TCE by OH also contributes to the decomposition of TCE, and leads to the production of 2,2-dichloroethanol, a species unobserved in previous flame studies. Other species found in large concentrations in the present CH{sub 4}/TCE/O{sub 2}/Ar flames, but not observed in previous TCE/O{sub 2}/Ar flame studies at higher chlorine-too-hydrogen ratios, are ketene, chloroketene, and dichloroketene. Finally, the presence of TCE catalyzes the formation of C{sub 3}-C{sub 6} hydrocarbons. The presence of significant concentrations of C{sub 3}H{sub 3}, C{sub 3}H{sub 4}, and C{sub 6}H{sub 6} is consistent with odd carbon species mechanisms previously suggested for benzene formation in hydrocarbon flames.

  8. CFD analysis of municipal solid waste combustion using detailed chemical kinetic modelling.

    PubMed

    Frank, Alex; Castaldi, Marco J

    2014-08-01

    Nitrogen oxides (NO x ) emissions from the combustion of municipal solid waste (MSW) in waste-to-energy (WtE) facilities are receiving renewed attention to reduce their output further. While NO x emissions are currently 60% below allowed limits, further reductions will decrease the air pollution control (APC) system burden and reduce consumption of NH3. This work combines the incorporation of the GRI 3.0 mechanism as a detailed chemical kinetic model (DCKM) into a custom three-dimensional (3D) computational fluid dynamics (CFD) model fully to understand the NO x chemistry in the above-bed burnout zones. Specifically, thermal, prompt and fuel NO formation mechanisms were evaluated for the system and a parametric study was utilized to determine the effect of varying fuel nitrogen conversion intermediates between HCN, NH3 and NO directly. Simulation results indicate that the fuel nitrogen mechanism accounts for 92% of the total NO produced in the system with thermal and prompt mechanisms accounting for the remaining 8%. Results also show a 5% variation in final NO concentration between HCN and NH3 inlet conditions, demonstrating that the fuel nitrogen intermediate assumed is not significant. Furthermore, the conversion ratio of fuel nitrogen to NO was 0.33, revealing that the majority of fuel nitrogen forms N2. PMID:25005043

  9. A diffusion-kinetic model for pulverized-coal combustion and heat-and-mass transfer in a gas stream

    SciTech Connect

    E.A. Boiko; S.V. Pachkovskii

    2008-12-15

    A diffusion-kinetic model for pulverized-coal combustion and heat-and-mass transfer in a gas stream is proposed, and the results of numerical simulation of the burnout dynamics of Kansk-Achinsk coals in the pulverized state at different treatment conditions and different model parameters are presented. The mathematical model describes the dynamics of thermochemical conversion of solid organic fuels with allowance for complex physicochemical phenomena of heat-and-mass exchange between coal particles and the gaseous environment.

  10. Kinetics of plasma-assisted combustion: effect of non-equilibrium excitation on the ignition and oxidation of combustible mixtures

    NASA Astrophysics Data System (ADS)

    Popov, N. A.

    2016-08-01

    A review of experimental and theoretical investigations of the effect of atomic particles, and electronically and vibrationally excited molecules on the induction delay time and on the shift in the ignition temperature threshold of combustible mixtures is presented. The addition of oxygen and hydrogen atoms to combustible mixtures may cause a significant reduction in the ignition delay time. However, at relatively low initial temperatures, the non-equilibrium effect of the addition of atomic particles in ground electronic states is not pronounced. At the same time, the effect of excited O(1D) atoms on the oxidation and reforming of combustible mixtures is quite significant due to the high rates of reactions of O(1D) atoms with hydrogen and hydrocarbon molecules. In fuel–air mixtures, collisions with O(1D) atoms determine, under certain conditions, the dissociation of hydrocarbon molecules. Singlet oxygen molecules, O2(a1Δ g ), participate both in chain initiation and chain branching reactions, but the effect of O2(a1Δ g ) on the ignition processes is generally less important compared to oxygen atoms. The reactions of vibrationally excited molecules and the processes of VT-relaxation in combustible mixtures are discussed. The production of vibrationally excited N 2(v) molecules in fuel–air mixtures at relatively low electric field is very important. However, at the moment, the effect of the reactions of N 2(v) molecules on the oxidation and ignition of combustible mixtures is not completely clear, and requires further investigation. Therefore, with present knowledge, to reduce the ignition delay time and decrease the temperature threshold of combustive mixtures, the use of gas discharge systems with relatively high E/N values is recommended. In this case the reactions of electronically excited {{\\text{N}}2}≤ft(\\text{A}{}3Σu+,\\text{B}{}3{{\\Pi}g},\\text{C}{}3{{\\Pi}u},\\text{a}{}\\prime 1Σu-\\right) molecules, and atomic particles in ground and

  11. A higher-order projection method for the simulation of unsteady turbulent nonpremixed combustion in an industrial burner

    SciTech Connect

    Pember, R.B.; Almgren, A.S.; Bell, J.B.; Colella, P.; Howell, L.; Lai, M.

    1994-12-01

    The modeling of transient effects in burners is becoming increasingly important. The problem of ensuring the safe performance of an industrial burner, for example, is much more difficult during the startup or shutdown phases of operation. The peak formation of pollutants is also much more dependent on transient behavior, in particular, on peak temperatures, than on average operating conditions. In this paper we present a new methodology for the modeling of unsteady, nonpremixed, reacting flow in industrial burners. The algorithm uses a second-order projection method for unsteady, low-Mach number reacting flow and accounts for species diffusion, convective and radiative heat transfer, viscous transport, turbulence, and chemical kinetics. The time step used by the method is restricted solely by an advective CFL condition. The methodology is applicable only in the low-Mach number regime (M < .3), typically met in industrial burners. The projection method for low-Mach number reacting flow is an extension of a higher-order projection method for incompressible flow [9, 5, 3,4] to the low-Mach number equations of reacting flow. Our method is based on an approximate projection formulation. Radiative transport is modeled using the discrete ordinates method. The main goal of this work is to introduce and investigate the simulation of burners using a higher-order projection method for low-Mach number combustion. As such, the methodology is applied here only to axisymmetric flow in gas-fired burners for which the boundaries can be aligned with a rectangular grid. The perfect gas law is also assumed. In addition, we use a one-step reduced kinetics mechanism, a {kappa} {minus} {epsilon} model for turbulent transport, and a simple turbulent combustion model.

  12. Thermal behaviour and kinetic study of the olive oil production chain residues and their mixtures during co-combustion.

    PubMed

    Buratti, C; Mousavi, S; Barbanera, M; Lascaro, E; Cotana, F; Bufacchi, M

    2016-08-01

    The kinetic behaviour of olive tree pruning (PR), two- (2PH) and three-phase (3PH) olive pomace and their blends was investigated under combustion condition using thermogravimetric analysis. PR was blended with 2PH and 3PH at different ratios (25:75, 50:50 and 75:25) and tested in the temperature range from ambient to 1000°C in order to evaluate the co-combustion behaviour. Results showed that the thermal degradation of all samples can be divided into three regions (drying, devolatilisation, char oxidation) with different combustion properties, depending on the percentage of PR. Significant interaction was detected between the fuels, and reactivity of 2PH and 3PH was improved upon blending with PR. The iso-conversional methods, Ozawa-Flynn-Wall and Vyazovkin, were employed for the kinetic analysis of the oxidation process. The results revealed that the activation energy of PR was higher than the one of 2PH and 3PH, and the minimum value was obtained for 25PR752PH sample. PMID:27136614

  13. Symposium (International) on Combustion, 18th, 1980

    SciTech Connect

    Anon

    1980-08-01

    This conference proceedings contains 196 papers. 181 papers are indexed separately. Topics covered include: combustion generated pollution; propellant combustion; fluidized bed combustion; combustion of droplets and spray; premixed flame studies; fire studies; flame stabilization; coal flammability; chemical kinetics; turbulent combustion; soot; coal combustion; modeling of combustion processes; combustion diagnostics; detonations and explosions; ignition; internal combustion engines; combustion studies; and furnaces.

  14. HCCI Combustion Fundamentals: In-Cylinder Diagnostics and Kinetic-Rate Computations

    SciTech Connect

    Dec, John E.

    2000-08-20

    Substantial progress has been made in reducing emissions and improving the performance of Diesel engines. Appears to be a lower limit for engine-out NOX of about 1 g/hp-hr. Serious difficulty in meeting Tier II or newly proposed H-D standards. Homogeneous charge compression ignition (HCCI) is an alternative IC engine combustion process that has the potential to: Provide diesel-like or higher efficiencies. Very low engine-out NOX due to low combustion temperatures. Very low particulate (PM) emissions. HCCI engine combustion is not well understood, and research is required to resolve technical barriers, including:

  15. A reactive flow model with coupled reaction kinetics for detonation and combustion in non-ideal explosives

    SciTech Connect

    Miller, P.J.

    1996-07-01

    A new reactive flow model for highly non-ideal explosives and propellants is presented. These compositions, which contain large amounts of metal, upon explosion have reaction kinetics that are characteristic of both fast detonation and slow metal combustion chemistry. A reaction model for these systems was incorporated into the two-dimensional, finite element, Lagrangian hydrodynamic code, DYNA2D. A description of how to determine the model parameters is given. The use of the model and variations are applied to AP, Al, and nitramine underwater explosive and propellant systems.

  16. Thermochemical conversion of biomass in smouldering combustion across scales: The roles of heterogeneous kinetics, oxygen and transport phenomena.

    PubMed

    Huang, Xinyan; Rein, Guillermo

    2016-05-01

    The thermochemical conversion of biomass in smouldering combustion is investigated here by combining experiments and modeling at two scales: matter (1mg) and bench (100g) scales. Emphasis is put on the effect of oxygen (0-33vol.%) and oxidation reactions because these are poorly studied in the literature in comparison to pyrolysis. The results are obtained for peat as a representative biomass for which there is high-quality experimental data published previously. Three kinetic schemes are explored, including various steps of drying, pyrolysis and oxidation. The kinetic parameters are found using the Kissinger-Genetic Algorithm method, and then implemented in a one-dimensional model of heat and mass transfer. The predictions are validated with thermogravimetric and bench-scale experiments and then analyzed to unravel the role of heterogeneous reaction. This is the first time that the influence of oxygen on biomass smouldering is explained in terms of both chemistry and transport phenomena across scales. PMID:26901090

  17. Catalyzed Combustion In Micro-Propulsion Devices: Project Status

    NASA Technical Reports Server (NTRS)

    Sung, C. J.; Schneider, S. J.

    2003-01-01

    In recent years, there has been a tendency toward shrinking the size of spacecraft. New classes of spacecraft called micro-spacecraft have been defined by their mass, power, and size ranges. Spacecraft in the range of 20 to 100 kg represent the class most likely to be utilized by most small sat users in the near future. There are also efforts to develop 10 to 20 kg class spacecraft for use in satellite constellations. More ambitious efforts will be to develop spacecraft less than 10 kg, in which MEMS fabrication technology is required. These new micro-spacecraft will require new micro-propulsion technology. Although micro-propulsion includes electric propulsion approaches, the focus of this proposed program is micro-chemical propulsion which requires the development of microcombustors. As combustors are scaled down, the surface to volume ratio increases. The heat release rate in the combustor scales with volume, while heat loss rate scales with surface area. Consequently, heat loss eventually dominates over heat release when the combustor size becomes smaller, thereby leading to flame quenching. The limitations imposed on chamber length and diameter has an immediate impact on the degree of miniaturization of a micro-combustor. Before micro-combustors can be realized, such a difficulty must be overcome. One viable combustion alternative is to take advantage of surface catalysis. Micro-chemical propulsion for small spacecraft can be used for primary thrust, orbit insertion, trajectory-control, and attitude control. Grouping micro-propulsion devices in arrays will allow their use for larger thrust applications. By using an array composed of hundreds or thousands of micro-thruster units, a particular configuration can be arranged to be best suited for a specific application. Moreover, different thruster sizes would provide for a range of thrust levels (from N s to mN s) within the same array. Several thrusters could be fired simultaneously for thrust levels higher than

  18. Combustion Properties of Biomass Flash Pyrolysis Oils: Final Project Report

    SciTech Connect

    C. R. Shaddix; D. R. Hardesty

    1999-04-01

    Thermochemical pyrolysis of solid biomass feedstocks, with subsequent condensation of the pyrolysis vapors, has been investigated in the U.S. and internationally as a means of producing a liquid fuel for power production from biomass. This process produces a fuel with significantly different physical and chemical properties from traditional petroleum-based fuel oils. In addition to storage and handling difficulties with pyrolysis oils, concern exists over the ability to use this fuel effectively in different combustors. The report endeavors to place the results and conclusions from Sandia's research into the context of international efforts to utilize pyrolysis oils. As a special supplement to this report, Dr. Steven Gust, of Finland's Neste Oy, has provided a brief assessment of pyrolysis oil combustion research efforts and commercialization prospects in Europe.

  19. Determination of char combustion kinetics parameters: Comparison of point detector and imaging-based particle-sizing pyrometry

    NASA Astrophysics Data System (ADS)

    Schiemann, Martin; Geier, Manfred; Shaddix, Christopher R.; Vorobiev, Nikita; Scherer, Viktor

    2014-07-01

    In this study, the char burnout characteristics of two German coals (a lignite and a high-volatile bituminous coal) were investigated using two different experimental configurations and optical techniques in two distinct laboratories for measurement of temperature and size of burning particles. The optical diagnostic hardware is quite different in the two systems, but both perform two-color pyrometry and optical sizing measurements on individual particles burning in isolation from each other in high-temperature laminar flows to characterize the char consumption kinetics. The performance of the specialized systems is compared for two different combustion atmospheres (with 6.6 and 12 vol.% O2) and gas temperatures between 1700 and 1800 K. The measured particle temperatures and diameters are converted to char burning rate parameters for several residence times during the course of the particles' burnout. The results confirm that comparable results are obtained with the two configurations, although higher levels of variability in the measured data were observed in the imaging-based pyrometer setup. Corresponding uncertainties in kinetics parameters were larger, and appear to be more sensitive to systematic measurement errors when lower oxygen contents are used in the experiments. Consequently, burnout experiments in environments with sufficiently high O2 contents may be used to measure reliable char burning kinetics rates. Based on simulation results for the two coals, O2 concentrations in the range 10%-30% are recommended for kinetic rate measurements on 100 μm particles.

  20. Analytical chemical kinetic investigation of the effects of oxygen, hydrogen, and hydroxyl radicals on hydrogen-air combustion

    NASA Technical Reports Server (NTRS)

    Carson, G. T., Jr.

    1974-01-01

    Quantitative values were computed which show the effects of the presence of small amounts of oxygen, hydrogen, and hydroxyl radicals on the finite-rate chemical kinetics of premixed hydrogen-air mixtures undergoing isobaric autoignition and combustion. The free radicals were considered to be initially present in hydrogen-air mixtures at equivalence ratios of 0.2, 0.6, 1.0, and 1.2. Initial mixture temperatures were 1100 K, 1200 K, and 1500 K, and pressures were 0.5, 1.0, 2.0, and 4.0 atm. Of the radicals investigated, atomic oxygen was found to be the most effective for reducing induction time, defined as the time to 5 percent of the total combustion temperature rise. The reaction time, the time between 5 percent and 95 percent of the temperature rise, is not decreased by the presence of free radicals in the initial hydrogen-air mixture. Fuel additives which yield free radicals might be used to effect a compact supersonic combustor design for efficient operation in an otherwise reaction-limited combustion regime.

  1. Thermogravimetric Analysis of Modified Hematite by Methane (CH{sub 4}) for Chemical-Looping Combustion: A Global Kinetics Mechanism

    SciTech Connect

    Monazam, Esmail R; Breault, Ronald W; Siriwardane, Ranjani; Miller, Duane D

    2013-10-01

    Iron oxide (Fe{sub 2}O{sub 3}) or in its natural form (hematite) is a potential material to capture CO{sub 2} through the chemical-looping combustion (CLC) process. It is known that magnesium (Mg) is an effective methyl cleaving catalyst and as such it has been combined with hematite to assess any possible enhancement to the kinetic rate for the reduction of Fe{sub 2}O{sub 3} with methane. Therefore, in order to evaluate its effectiveness as a hematite additive, the behaviors of Mg-modified hematite samples (hematite –5% Mg(OH){sub 2}) have been analyzed with regard to assessing any enhancement to the kinetic rate process. The Mg-modified hematite was prepared by hydrothermal synthesis. The reactivity experiments were conducted in a thermogravimetric analyzer (TGA) using continuous stream of CH{sub 4} (5, 10, and 20%) at temperatures ranging from 700 to 825 {degrees}C over ten reduction cycles. The mass spectroscopy analysis of product gas indicated the presence of CO{sub 2}, H{sub 2}O, H{sub 2} and CO in the gaseous product. The kinetic data at reduction step obtained by isothermal experiments could be well fitted by two parallel rate equations. The modified hematite samples showed higher reactivity as compared to unmodified hematite samples during reduction at all investigated temperatures.

  2. Update of the Black Dog atmospheric fluidized bed combustion project

    SciTech Connect

    Osthus, D.; Larva, J.; Rens, D. )

    1988-01-01

    Northern States Power Co. converted its Black Dog Unit 2, a pulverized coal-fired 100 MW unit that was built in 1954, to an atmospheric fluidized bed (bubbling bed) configuration, in order to commercially demonstrate AFBC technology as a cost-effective way to reduce SO2 emissions. As part of the AFBC conversion, the unit was upgraded to 130 MW capacity. Unit 2 burns Western coal, is equipped with electrostatic precipitators, and cycles on and off line daily. The innovative nature of this project contributed to a protracted encountered. These problems are discussed. Many of the problems have been solved, and the unit is now meeting most of the goals set for the project.

  3. The promising chemical kinetics for the simulation of propane-air combustion with KIVA-II code

    NASA Technical Reports Server (NTRS)

    Ying, S. J.; Gorla, Rama S. R.; Kundu, Krishna P.

    1993-01-01

    The development of chemical kinetics for the simulation of propane-air combustion with the use of computer code KIVA-II since 1989 is summarized here. In order to let readers understand the general feature well, a brief description of the KIVA-II code, specially related with the chemical reactions is also given. Then the results of recent work with 20 reaction mechanism is presented. It is also compared with the 5 reaction mechanism. It may be expected that the numerical stability of the 20 reaction mechanism is better as compared to that of 5 reaction mechanism, but the CPU time of the CRAY computer is much longer. Details are presented in the paper.

  4. Kinetic measurements on elementary fossil fuel combustion reactions over wide temperatures ranges. Progress report, December 1, 1990--November 30, 1991

    SciTech Connect

    Fontijin, A.

    1992-01-01

    The goals of this work are to provide accurate data on the temperature dependence of the kinetics of elementary combustion reactions (i) for use by combustion modelers, and (ii) to gain a better fundamental understanding of, and hence predictive ability for, the chemistry involved. Experimental measurements are made using the pseudo-static HTP (high-temperature photochemistry) technique. This approach allows observations on single reactions in the 300 to 1800 K temperature range to be made. Typical total (bath gas) pressures are in the 100 to 1000 mbar range. Ground-state O and H atoms are produced by flash or excimer laser photolysis of suitable precursors (O{sub 2}, CO{sub 2}, SO{sub 2}, NH{sub 3}). The relative atom concentrations are monitored by resonance fluorescence pumped by a cw microwave discharge flow lamp. The molecular reactant-in-excess is introduced through a cooled inlet. Adequate time for mixing, 0.1 to 10 s, between this inlet and the photolysis/observation zone is achieved by using slow flows (typically less than 20 cm s{sup {minus}1}). Results are reported for: O-Atom Reactions with the Four Isomeric Butenes, H + HCl {yields} H{sub 2} + Cl, and the O-atom 1,3-butadiene reaction.

  5. Chemical kinetics modeling

    SciTech Connect

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

    1993-12-01

    This project emphasizes numerical modeling of chemical kinetics of combustion, including applications in both practical combustion systems and in controlled laboratory experiments. Elementary reaction rate parameters are combined into mechanisms which then describe the overall reaction of the fuels being studied. Detailed sensitivity analyses are used to identify those reaction rates and product species distributions to which the results are most sensitive and therefore warrant the greatest attention from other experimental and theoretical research programs. Experimental data from a variety of environments are combined together to validate the reaction mechanisms, including results from laminar flames, shock tubes, flow systems, detonations, and even internal combustion engines.

  6. Finite rate kinetics and pdf effects in turbulent combustion modeling for high speed propulsion

    NASA Astrophysics Data System (ADS)

    Biagioli, F.; Bruno, C.

    1993-06-01

    A thermochemical model was used to carry out a numerical simulation of the flowfield in a turbulent combustor with nonpremixed injection of hydrogen and air. The turbulent transport of quantities is modeled via the Prandtl-Boussinesq hypothesis plus the k-epsilon model for the eddy viscosity, while chemical kinetics-turbulence interaction is modeled by introducing a joint pdf for the two independent scalars, whose shape is a priori established. The models employed are validated by a comparison of calculations with the experimental results of Drake et al. (1984) for H2/CO/N2/air flame at 1 atm pressure. The comparisons show the importance of accounting for free-radicals recombinations finite rate kinetics.

  7. Chemical kinetic pathways for the emission of trace by-products in combustion processes

    SciTech Connect

    Pitz, W.J.; Westbrook, C.K.; Lutz, A.E.; Kee, R.J.

    1993-03-01

    A collorbative research program has been initiated to study the emissions of a wide variety of chemical species from stationary combustion systems. These product species have been included in Clean Air act legislation and their emissions must be rigidly controlled, but there is a need for a much better understanding of the physical and chemical mechanisms that produce and consume them. We are using physical and chemical mechanisms that produce and consume them. We are using numerical modeling techniques to study the chemical reactions and fluid mechanical factors that occur in industrial burners. We are examining systems including premixed and diffusion flames, and stirred and plug flow reactors in these modeling studies to establish the major factors leading to emissions of these chemicals.

  8. Cooperative Research Projects in the Microgravity Combustion Science Programs Sponsored by NASA and NEDO

    NASA Technical Reports Server (NTRS)

    Ross, Howard (Compiler)

    2000-01-01

    This document contains the results of a collection of selected cooperative research projects between principal investigators in the microgravity combustion science programs, sponsored by NASA and NEDO. Cooperation involved the use of drop towers in Japan and the United States, and the sharing of subsequent research data and findings. The topical areas include: (1) Interacting droplet arrays, (2) high pressure binary fuel sprays, (3) sooting droplet combustion, (4) flammability limits and dynamics of spherical, premixed gaseous flames and, (5) ignition and transition of flame spread across thin solid fuel samples. All of the investigators view this collaboration as a success. Novel flame behaviors were found and later published in archival journals. In some cases the experiments provided verification of the design and behavior in subsequent experiments performed on the Space Shuttle. In other cases, the experiments provided guidance to experiments that are expected to be performed on the International Space Station.

  9. Non-isothermal kinetic studies of co-combustion and co-cracking of coal and plastic blends using thermogravimetric analysis

    SciTech Connect

    Nabeel, A.; Khan, T.A.; Sharma, D.K.

    2009-07-01

    The kinetics of co-combustion/co-cracking of Topa coal with polystyrene, poly(vinyl chloride), and bakelite have been studied by theromogravimetric analysis at a linear heating rate of 20C/min in a stream of air for combustion and in nitrogen for cracking with a flow rate of 20 cm{sup 3}/min up to the temperature of 900C under non-isothermal conditions. The order of reaction and overall activation energy of the reactions have been calculated. These studies may help in synergistic production of value-added organic compounds and spatiality chemicals from coal and plastics.

  10. Experimental and kinetic modeling study of the combustion of Jet-A and S-8 fuels in laminar premixed flames

    NASA Astrophysics Data System (ADS)

    Nishiie, Takayuki

    Laminar flame speeds and Markstein lengths of Jet-A/air, and S-8/air flames at an elevated initial temperature and various initial pressures were measured using spherically expanding premixed flames. The experimental facility has been developed to study the combustion behaviors of high-boiling-point and low-vapor-pressure liquid fuels. The experiment used a spherical combustion chamber housed inside a customized oven, which provides a uniform temperature distribution inside the chamber for fuel evaporation. Two different fuel injection systems -- the partial pressure method and the volume method, were used to measure the fuel to air ratio of the mixture, and the flame speeds from these methods were compared. There was large discrepancy in the flame speeds between the two methods for multi-component fuel, such as Jet-A. The measured flame speed data of Jet-A/air and S-8/air flames were compared to those by other researchers as well as numerical simulation results using several existing kinetic mechanisms and surrogate models. The results show that the flame speed data in present measurements were slightly lower than those by other researchers using the counterflow flame methods. Moreover, the results show the large discrepancies between present measured flame speed data and numerically calculated data. The Markstein lengths of heavy hydrocarbons including Jet-A and S-8 show that the value decreases as the equivalence ratio. The flame instabilities were observed for the flames with negative Markstein lengths. The pressure increase decreases the flame speeds throughout the stoichiometory. The pressure increase also decreases the Markstein lengths throughout the stoichiometory, and enhances the hydrodynamic instability on the flame.

  11. Application of a Genetic Algorithm to the Optimization of Rate Constants in Chemical Kinetic Models for Combustion Simulation of HCCI Engines

    NASA Astrophysics Data System (ADS)

    Kim, Sang-Kyu; Ito, Kazuma; Yoshihara, Daisuke; Wakisaka, Tomoyuki

    For numerically predicting the combustion processes in homogeneous charge compression ignition (HCCI) engines, practical chemical kinetic models have been explored. A genetic algorithm (GA) has been applied to the optimization of the rate constants in detailed chemical kinetic models, and a detailed kinetic model (592 reactions) for gasoline reference fuels with arbitrary octane number between 60 and 100 has been obtained from the detailed reaction schemes for iso-octane and n-heptane proposed by Golovitchev. The ignition timing in a gasoline HCCI engine has been predicted reasonably well by zero-dimensional simulation using the CHEMKIN code with this detailed kinetic model. An original reduced reaction scheme (45 reactions) for dimethyl ether (DME) has been derived from Curran’s detailed scheme, and the combustion process in a DME HCCI engine has been predicted reasonably well in a practical computation time by three-dimensional simulation using the authors’ GTT code, which has been linked to the CHEMKIN subroutines with the proposed reaction scheme and also has adopted a modified eddy dissipation combustion model.

  12. Oxidation and combustion of the n-hexene isomers: a wide range kinetic modeling study

    SciTech Connect

    Mehl, M; Vanhove, G; Pitz, W J; Ranzi, E

    2008-03-12

    A detailed chemical kinetic mechanism has been developed to study the oxidation of the straight-chain isomers of hexene over a wide range of operating conditions. The main features of this detailed kinetic mechanism, which includes both high and low temperature reaction pathways, are presented and discussed with special emphasis on the main classes of reactions involved in alkene oxidation. Simulation results have been compared with experimental data over a wide range of operating conditions including shock tube, jet stirred reactor and rapid compression machine. The different reactivities of the three isomers have been successfully predicted by the model. Isomerization reactions of the hexenyl radicals were found to play a significant role in the chemistry and interactions of the three n-hexene isomers. A comparative reaction flux analysis is used to verify and discuss the fundamental role of the double bond position in the isomerization reactions of alkenyl radicals, as well as the impact of the allylic site in the low and high temperature mechanism of fuel oxidation.

  13. Modes of chocked flame instability defined by the peculiarities of combustion kinetics at rising pressure

    NASA Astrophysics Data System (ADS)

    Kiverin, A. D.; Yakovenko, I. S.

    2015-11-01

    The aim of the paper was to analyze the structure and the stability of the chocked flames to understand the origins of different possible combustion modes, including quasi-stable supersonic flames and deflagration-to-detonation transition. By means of numerical analysis, it is shown that the chocked flame structure and its stability are defined by two basic mechanisms: compression of the fresh mixture ahead of the flame front and compression of the reacting mixture inside it. The first mechanism provides burning velocity increase; the second one can either accelerate or decelerate reaction depending on the pressure-dependent reaction behavior in the observed pressure range and depending on the rate of compression. In case of reaction intensification with rising pressure, a detonation forms on the leading edge of the flame front. Otherwise, the flame propagates in a quasi-stable supersonic regime consisting of consequential stages of deceleration and re-acceleration of the flame. On the deceleration stage, the compressed fresh mixture priorly chocked by the supersonic flow near the flame tip flows downstream generating the compression wave ahead. The new contact surface between this packet of compressed mixture and the fresh mixture ahead of the flame front can become the kernel of the exothermal reaction, evolving in a new deflagration wave or even detonation.

  14. Kinetics of nitrogen and sulfur reactions in combustion systems: Quarterly technical progress report No. 9

    SciTech Connect

    Not Available

    1987-01-01

    The main thrust of the work was the continuation of the modeling studies of NO destruction by soot particulates. The computation took into account the decrease of soot concentration via oxidation. Since the mechanism of soot oxidation is governed mainly by the reaction between OH radicals and soot particulates, we have incorporated a limited set of detailed kinetics for the downflow coal flame. The kinetics included one hundred and nineteen reactions with twenty-seven species. The details of the modeling and the results are described. EER currently has four models of the SO/sub 2/-CaO high-temperature reaction: (1) the grain model of Silcox et al. (1985); (2) a pore model similar to that of Bhatia and Perlmutter (1980, 1981); (3) the distributed pore model of Newton and Pershing (1987); and (4) a distributed pore model similar to that of Christman and Edgar (1983). Recent work has focused on the latter two models, which are similar in many respects. They both consider a distribution of pore sizes obtained from porosimetry measurements, internal pore diffusion, filling of the pore structure with product (CaSO/sub 4/) as the reaction occurs, external diffusion to the particle surface, and sintering of the pore structure. The primary difference is that the model of Christman and Edgar (1983) considers the pores to be interconnected, while the model of Newton and Pershing (1987) assumes non-connected pores. Both models yield the same predictions of sorbent utilization when a mono-sized pore is considered (using the same physical constants). Pore mouth closure is predicted to control the extent of the SO/sub 2/-CaO reaction. When a distribution of pores is considered, the interconnected model yields higher predictions than the non-interconnected model.

  15. Computational Combustion

    SciTech Connect

    Westbrook, C K; Mizobuchi, Y; Poinsot, T J; Smith, P J; Warnatz, J

    2004-08-26

    Progress in the field of computational combustion over the past 50 years is reviewed. Particular attention is given to those classes of models that are common to most system modeling efforts, including fluid dynamics, chemical kinetics, liquid sprays, and turbulent flame models. The developments in combustion modeling are placed into the time-dependent context of the accompanying exponential growth in computer capabilities and Moore's Law. Superimposed on this steady growth, the occasional sudden advances in modeling capabilities are identified and their impacts are discussed. Integration of submodels into system models for spark ignition, diesel and homogeneous charge, compression ignition engines, surface and catalytic combustion, pulse combustion, and detonations are described. Finally, the current state of combustion modeling is illustrated by descriptions of a very large jet lifted 3D turbulent hydrogen flame with direct numerical simulation and 3D large eddy simulations of practical gas burner combustion devices.

  16. Mechanisms of strong pressure wave generations during knocking combustion: compressible reactive flow simulations with detailed chemical kinetics

    NASA Astrophysics Data System (ADS)

    Terashima, Hiroshi; Koshi, Mitsuo

    2014-11-01

    Knocking is a very severe pressure oscillation caused by interactions between flame propagation and end-gas autoignition in spark-assisted engines. In this study, knocking combustion modeled in one-dimensional space is simulated using a highly efficient compressible flow solver with detailed chemical kinetics for clarifying the process of knocking occurrence. Especially, mechanisms of strong pressure wave generation are addressed. A robust and fast explicit integration method is used to efficiently handle stiff chemistry, and species bundling for effectively estimating the diffusion coefficients. The detailed mechanisms such as n-butane of 113 species and n-heptane of 373 species are directly applied. Results demonstrate that the negative temperature coefficient (NTC) region of n-heptane significantly influence the knocking timing and intensity. In the NTC region, stronger pressure wave is generated due to rapid heat release of a very small portion in the end-gas, which is attributed to low temperature oxidation and inhomogeneous temperature distributions in the end-gas. The knocking intensity is thus amplified in the NTC region, taking a maximum value. In the case of n-butane with no NTC region, relatively weak knocking intensity is observed in all conditions with no clear peak.

  17. Catalytic combustion of ethane over palladium foil in the 300--450 C range: Kinetics and surface composition studies

    SciTech Connect

    Descorme, C.; Jacobs, P.W.; Somorjai, G.A.

    1998-09-10

    Catalytic oxidation of ethane over palladium foils was studied and the kinetic parameters were determined for the reaction. The studies were carried out at 800 Torr total pressure over a wide range of reaction conditions in the temperature range of 300--425 C. The catalyst surface composition was characterized before and after reaction by Auger electron spectroscopy (AES). While the authors detected only metallic palladium before reaction, the postreaction analysis showed significant formation of PdO{sub x}, a surface oxide, at all temperatures and under all ethane/oxygen ratios. The catalyst that exhibits optimum combustion activity is the one covered with 0.3 to 0.5 monolayer of oxygen. Carbon monoxide temperature-programmed desorption (CO-TPD) was used to evaluate the surface area of the metallic and oxidized palladium in order to normalize the measured catalytic reaction rates. Apparent activation energies of 104, 116, and 189 kJ/mol under fuel lean, stoichiometric, and fuel-rick conditions, respectively, were observed. While CO{sub 2} is the main carbonaceous product, unoxidized and partially oxidized species, methane and ethylene, are produced in small amounts. The product distribution is typically 98.6 mol% CO{sub 2}, 0.9 mol% C{sub 2}H{sub 4}, and 0.5 mol% CH{sub 4} at 10% conversion during a reaction at 350 C under stoichiometric conditions.

  18. Molecular Beam and Surface Science Studies of Heterogeneous Reaction Kinetics Including Combustion Dynamics. Final Technical Report.

    SciTech Connect

    Sibener, S. J.

    2006-06-23

    This research program examined the heterogeneous reaction kinetics and reaction dynamics of surface chemical processes which are of direct relevance to efficient energy production, condensed phase reactions, and mateials growth including nanoscience objectives. We have had several notable scientific and technical successes. Illustrative highlights include: (1) a thorough study of how one can efficiently produce synthesis gas (SynGas) at relatively low Rh(111) catalyst temperatures via the reaction CH{sub4}+1/2 O{sub2} {r_arrow} CO+2H{sub2}. In these studies methane activation is accomplished utilizing high-kinetic energy reagents generated via supersonic molecular beams, (2) experiments which have incisively probed the partial oxidation chemistry of adsorbed 1- and 2- butene on Rh and ice, as well as partial oxidation of propene on Au; (3) investigation of structural changes which occur to the reconstructed (23x{radical}3)-Au(111) surface upon exposure to atomic oxygen, (4) a combined experimental and theoretical examination of the fundamental atomic-level rules which govern defect minimization during the formation of self-organizing stepped nanostructures, (5) the use of these relatively defect-free nanotemplates for growing silicon nanowires having atomically-dimensioned widths, (6) a combined scanning probe and atomic beam scattering study of how the presence of self-assembling organic overlayers interact with metallic supports substrates - this work hs led to revision of the currently held view of how such adsorbates reconfigure surface structure at the atomic level, (7) an inelastic He atom scattering study in which we examined the effect of chain length on the low-energy vibrations of alkanethiol striped phase self-assembled monolayers on Au(111), yielding information on the forces that govern interfacial self-assembly, (8) a study of the vibrational properties of disordered films of SF{sub6} adsorbed on Au(111), and (9) a study of the activated chemistry and

  19. Assessment of Reduced-Kinetics Mechanisms for Combustion of Jet Fuel in CFD Applications

    NASA Technical Reports Server (NTRS)

    Ajmani, Kumud; Kundu, Krihna P.; Yungster, Shaye J.

    2014-01-01

    A computational effort was undertaken to analyze the details of fluid flow in Lean-Direct Injection (LDI) combustors for next-generation LDI design. The National Combustor Code (NCC) was used to perform reacting flow computations on single-element LDI injector configurations. The feasibility of using a reduced chemical-kinetics approach, which optimizes the reaction rates and species to model the emissions characteristics typical of lean-burning gas-turbine combustors, was assessed. The assessments were performed with Reynolds- Averaged Navier-Stokes (RANS) and Time-Filtered Navier Stokes (TFNS) time-integration, with a Lagrangian spray model with the NCC code. The NCC predictions for EINOx and combustor exit temperature were compared with experimental data for two different single-element LDI injector configurations, with 60deg and 45deg axially swept swirler vanes. The effects of turbulence-chemistry interaction on the predicted flow in a typical LDI combustor were studied with detailed comparisons of NCC TFNS with experimental data.

  20. Relation of Turbojet and Ramjet Combustion Efficiency to Second-Order Reaction Kinetics and Fundamental Flame Speed

    NASA Technical Reports Server (NTRS)

    Childs, J Howard; Reynolds, Thaine W; Graves, Charles C

    1957-01-01

    Theoretical studies of the turbojet and ramjet combustion process are summarized and the resulting equations are applied to experimental data obtained from various combustor tests. The theoretical treatment assumes that one step in the over-all chain of processes which constitute jet-engine combustion is sufficiently slow to be the rate-controlling step that determines combustion efficiency.

  1. Coal combustion science. Quarterly progress report, April 1993--June 1993

    SciTech Connect

    Hardesty, D.R.

    1994-05-01

    This document is a quarterly status report of the Coal Combustion Science Project that is being conducted at the Combustion Research Facility, Sandia National Laboratories. The information reported is for Apr-Jun 1993. The objective of this work is to support the Office of Fossil Energy in executing research on coal combustion science. This project consists of basic research on coal combustion that supports both the PETC Direct Utilization Advanced Research and Technology Development Program, and the International Energy Agency Coal Combustion Science Project. The objective of the kinetics and mechanisms of pulverized coal char combustion task is to characterize the combustion behavior of selected US coals under conditions relevant to industrial pulverized coal-fired furnaces. Work is being done in four areas: kinetics of heterogeneous fuel particle populations; char combustion kinetics at high carbon conversion; the role of particle structure and the char formation process in combustion and; unification of the Sandia char combustion data base. This data base on the high temperature reactivities of chars from strategic US coals will permit identification of important fuel-specific trends and development of predictive capabilities for advanced coal combustion systems. The objective of the fate of inorganic material during coal combustion task is the establish a quantitative understanding of the mechanisms and rates of transformation, fragmentation, and deposition of inorganic material during coal combustion as a function of coal type, particle size and temperature, the initial forms and distribution of inorganic species in the unreacted coal, and the local gas temperature and composition. In addition, optical diagnostic capabilities are being developed for in situ, real-time detection of inorganic vapor species and surface species during ash deposition. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.

  2. Coal Combustion Science. Quarterly progress report, October--December 1994

    SciTech Connect

    Hardesty, D.R.; Baxter, L.L.; Davis, K.A.; Hurt, R.H.; Yang, N.Y.C.

    1996-02-01

    The objective of this work is to support the Office of Fossil Energy in executing research on coal combustion science. This project consists of basic research on coal combustion that supports both the Pittsburgh Energy Technology Center (PETC) Direct Utilization Advanced Research and Technology Development Program, and the International Energy Agency (IEA) Coal Combustion Science Project. Specific tasks include: Task 1--Kinetics and mechanisms of pulverized coal char combustion; and Task 2--deposit growth and property development in coal-fired furnaces. The objective of task 1 is to characterize the combustion behavior of selected US coals under conditions relevant to industrial pulverized coal-fired furnaces. Work is being done in four areas: (a) kinetics of heterogeneous fuel particle populations; (b) char combustion kinetics at high carbon conversion; (c) the role of particle structure and the char formation process in combustion and; (d) unification of the Sandia char combustion data base. The objectives of Task 2 are to provide a self-consistent database of simultaneously measured, time-resolved, ash deposit properties in well-controlled and well-defined environments and to provide analytical expressions that relate deposit composition and structure to deposit properties of immediate relevance to PETC`s Combustion 2000 program. The task include the development and use of diagnostics to monitor, in situ and in real time, deposit properties, including information on both the structure and composition of the deposits.

  3. DOE Project: Optimization of Advanced Diesel Engine Combustion Strategies "University Research in Advanced Combustion and Emissions Control" Office of FreedomCAR and Vehicle Technologies Program

    SciTech Connect

    Reitz, Rolf; Foster, D.; Ghandhi, J.; Rothamer, D.; Rutland, C.; Sanders, S.; Trujillo, M.

    2012-10-26

    The goal of the present technology development was to increase the efficiency of internal combustion engines while minimizing the energy penalty of meeting emissions regulations. This objective was achieved through experimentation and the development of advanced combustion regimes and emission control strategies, coupled with advanced petroleum and non-petroleum fuel formulations. To meet the goals of the project, it was necessary to improve the efficiency of expansion work extraction, and this required optimized combustion phasing and minimized in-cylinder heat transfer losses. To minimize fuel used for diesel particulate filter (DPF) regeneration, soot emissions were also minimized. Because of the complex nature of optimizing production engines for real-world variations in fuels, temperatures and pressures, the project applied high-fidelity computing and high-resolution engine experiments synergistically to create and apply advanced tools (i.e., fast, accurate predictive models) developed for low-emission, fuel-efficient engine designs. The companion experiments were conducted using representative single- and multi-cylinder automotive and truck diesel engines.

  4. Combustion Engineering Integrated Coal Gasification Combined Cycle Repowering Project: Clean Coal Technology Program

    SciTech Connect

    Not Available

    1992-03-01

    On February 22, 1988, DOE issued Program Opportunity Notice (PON) Number-DE-PS01-88FE61530 for Round II of the CCT Program. The purpose of the PON was to solicit proposals to conduct cost-shared ICCT projects to demonstrate technologies that are capable of being commercialized in the 1990s, that are more cost-effective than current technologies, and that are capable of achieving significant reduction of SO[sub 2] and/or NO[sub x] emissions from existing coal burning facilities, particularly those that contribute to transboundary and interstate pollution. The Combustion Engineering (C-E) Integrated Coal Gasification Combined Cycle (IGCC) Repowering Project was one of 16 proposals selected by DOE for negotiation of cost-shared federal funding support from among the 55 proposals that were received in response to the PON. The ICCT Program has developed a three-level strategy for complying with the National Environmental Policy Act (NEPA) that is consistent with the President's Council on Environmental Quality regulations implementing NEPA (40 CFR 1500-1508) and the DOE guidelines for compliance with NEPA (10 CFR 1021). The strategy includes the consideration of programmatic and project-specific environmental impacts during and subsequent to the reject selection process.

  5. Mechanisms of droplet combustion

    NASA Technical Reports Server (NTRS)

    Law, C. K.

    1982-01-01

    The fundamental physico-chemical mechanisms governing droplet vaporization and combustion are discussed. Specific topics include governing equations and simplifications, the classical d(2)-Law solution and its subsequent modification, finite-rate kinetics and the flame structure, droplet dynamics, near- and super-critical combustion, combustion of multicomponent fuel blends/emulsions/suspensions, and droplet interaction. Potential research topics are suggested.

  6. Kinetics of the reduction of hematite (Fe{sub 2}O{sub 3}) by methane (CH{sub 4}) during chemical looping combustion: A global mechanism

    SciTech Connect

    Monazam, Esmail R; Breault, Ronald W; Siriwardane, Ranjani; Richards, George; Carpenter, Stephen

    2013-10-01

    Chemical-looping combustion (CLC) has emerged as a promising technology for fossil fuel combustion which produces a sequestration ready concentrated CO{sub 2} stream in power production. A CLC system is composed with two reactors, an air and a fuel reactor. An oxygen carrier such as hematite (94%Fe{sub 2}O{sub 3}) circulates between the reactors, which transfers the oxygen necessary for the fuel combustion from the air to the fuel. An important issue for the CLC process is the selection of metal oxide as oxygen carrier, since it must retain its reactivity through many cycles. The primary objective of this work is to develop a global mechanism with respective kinetics rate parameters such that CFD simulations can be performed for large systems. In this study, thermogravimetric analysis (TGA) of the reduction of hematite (Fe{sub 2}O{sub 3}) in a continuous stream of CH{sub 4} (15, 20, and 35%) was conducted at temperatures ranging from 700 to 825{degrees}C over ten reduction cycles. The mass spectroscopy analysis of product gas indicated the presence of CO{sub 2} and H{sub 2}O at the early stage of reaction and H{sub 2} and CO at the final stage of reactions. A kinetic model based on two parallel reactions, 1) first-order irreversible rate kinetics and 2) Avrami equation describing nucleation and growth processes, was applied to the reduction data. It was found, that the reaction rates for both reactions increase with, both, temperature and the methane concentration in inlet gas.

  7. Plasma-assisted combustion: Systematic decoupling of the kinetic enhancement mechanisms of ignition, flame propagation, and flame stabilization by long-lifetime species

    NASA Astrophysics Data System (ADS)

    Ombrello, Timothy M.

    The advancement of propulsion devices and combustion systems has created ever increasingly more restrictive reactive environments that push the limits of combustion technology. Precise combustion control for higher efficiencies, reduced emissions, and limited residence times to react can exceed what is possible with traditional combustion chemistry, and therefore require new and creative solutions. The application of plasma to combustion systems offers a promising solution, with significant enhancement having been shown by many researchers. Nevertheless, there remain many unknowns with respect to the key species and mechanisms of enhancement. Detailed systematic experimental and numerical investigations were performed to identify the kinetic mechanisms of combustion enhancement by long-lifetime species generated by non-equilibrium plasma discharges. Two burner systems were adopted and integrated with plasma discharge devices to establish unique combustion platforms to study ignition, flame propagation, and flame stabilization phenomena. A counterflow diffusion flame burner was adopted for the investigation of the effects of plasma on flame stabilization. A newly developed non-equilibrium magnetic gliding arc plasma discharge was integrated with a counterflow diffusion flame burner and was found to significantly extend the limits of flame stabilization when activating air. Laser diagnostic methods of planar Rayleigh scattering and OH planar laser-induced fluorescence were applied and comparison to numerical simulations showed that the extension of the extinction limits was predominately through thermal effects due to rapid recombination of radicals. To elucidate the kinetic effects of plasma, the counterflow burner was augmented for ignition experiments. The application of Fourier transform infrared spectroscopy and comparison to numerical simulations showed significant kinetic ignition enhancement by plasma-produced NOx when activating air. The results established

  8. Numerical Simulation of the Combustion of Fuel Droplets: Finite Rate Kinetics and Flame Zone Grid Adaptation (CEFD)

    NASA Technical Reports Server (NTRS)

    Gogos, George; Bowen, Brent D.; Nickerson, Jocelyn S.

    2002-01-01

    The NASA Nebraska Space Grant (NSGC) & EPSCoR programs have continued their effort to support outstanding research endeavors by funding the Numerical Simulation of the Combustion of Fuel Droplets study at the University of Nebraska at Lincoln (UNL). This team of researchers has developed a transient numerical model to study the combustion of suspended and moving droplets. The engines that propel missiles, jets, and many other devices are dependent upon combustion. Therefore, data concerning the combustion of fuel droplets is of immediate relevance to aviation and aeronautical personnel, especially those involved in flight operations. The experiments being conducted by Dr. Gogos and Dr. Nayagam s research teams, allow investigators to gather data for comparison with theoretical predictions of burning rates, flame structures, and extinction conditions. The consequent improved hndamental understanding droplet combustion may contribute to the clean and safe utilization of fossil hels (Williams, Dryer, Haggard & Nayagam, 1997, 72). The present state of knowledge on convective extinction of he1 droplets derives fiom experiments conducted under normal gravity conditions. However, any data obtained with suspended droplets under normal gravity are grossly affected by gravity. The need to obtain experimental data under microgravity conditions is therefore well justified and addresses one of the goals of NASA s Human Exploration and Development of Space (HEDS) microgravity combustion experiment.

  9. Combustion Research Program: Flame studies, laser diagnostics, and chemical kinetics. Final report, 15 July 1987--15 June 1992

    SciTech Connect

    Crosley, D.R.

    1992-09-01

    This project has comprised laser flame diagnostic experiments, chemical kinetics measurements, and low pressure flame studies. Collisional quenching has been investigated for several systems: the OH radical, by H{sub 2}0 in low pressure flames; the rotational level dependence for NH, including measurements to J=24; and of NH{sub 2} at room temperature. Transition probability measurements for bands involving v{prime} = 2 and 3 of the A-X system of OH were measured in a flame. Laser-induced fluorescence of vinyl radicals was unsuccessfully attempted. RRKM and transition state theory calculations were performed on the OH + C{sub 2}H{sub 4} reaction, on the t-butyl radical + HX; and transition state theory has been applied to a series of bond scission reactions. OH concentrations were measured quantitatively in low pressure H{sub 2}/N{sub 2}O and H{sub 2}/O{sub 2} flames, and the ability to determine spatially precise flame temperatures accurately using OH laser-induced fluorescence was studied.

  10. Fuel gas combustion research at METC

    SciTech Connect

    Norton, T.S.

    1995-06-01

    The in-house combustion research program at METC is an integral part of many METC activities, providing support to METC product teams, project managers, and external industrial and university partners. While the majority of in-house combustion research in recent years has been focussed on the lean premixed combustion of natural gas fuel for Advanced Turbine Systems (ATS) applications, increasing emphasis is being placed on issues of syngas combustion, as the time approaches when the ATS and coal-fired power systems programs will reach convergence. When the METC syngas generator is built in 1996, METC will have the unique combination of mid-scale pressurized experimental facilities, a continuous syngas supply with variable ammonia loading, and a team of people with expertise in low-emissions combustion, chemical kinetics, combustion modeling, combustion diagnostics, and the control of combustion instabilities. These will enable us to investigate such issues as the effects of pressure, temperature, and fuel gas composition on the rate of conversion of fuel nitrogen to NOx, and on combustion instabilities in a variety of combustor designs.

  11. Thermodynamics and kinetics parameters of co-combustion between sewage sludge and water hyacinth in CO2/O2 atmosphere as biomass to solid biofuel.

    PubMed

    Huang, Limao; Liu, Jingyong; He, Yao; Sun, Shuiyu; Chen, Jiacong; Sun, Jian; Chang, KenLin; Kuo, Jiahong; Ning, Xun'an

    2016-10-01

    Thermodynamics and kinetics of sewage sludge (SS) and water hyacinth (WH) co-combustion as a blend fuel (SW) for bioenergy production were studied through thermogravimetric analysis. In CO2/O2 atmosphere, the combustion performance of SS added with 10-40wt.% WH was improved 1-1.97 times as revealed by the comprehensive combustion characteristic index (CCI). The conversion of SW in different atmospheres was identified and their thermodynamic parameters (ΔH,ΔS,ΔG) were obtained. As the oxygen concentration increased from 20% to 70%, the ignition temperature of SW decreased from 243.1°C to 240.3°C, and the maximum weight loss rate and CCI increased from 5.70%·min(-1) to 7.26%·min(-1) and from 4.913%(2)·K(-3)·min(-2) to 6.327%(2)·K(-3)·min(-2), respectively, which corresponded to the variation in ΔS and ΔG. The lowest activation energy (Ea) of SW was obtained in CO2/O2=7/3 atmosphere. PMID:27416513

  12. Effects of calcium magnesium acetate on the combustion of Coal-Water Slurries. Second quarterly project status report, 1 December 1989--28 February 1990

    SciTech Connect

    Not Available

    1990-12-31

    The general objective of the project is to investigate the combustion behavior of single Coal-Water Slurry particles burning at high temperature environments. Both uncatalyzed as well catalyzed CWS drops with Calcium Magnesium Acetate (CMA) catalyst will be investigated. Emphasis will also be given in the effects of CMA on the sulfur capture during combustion.

  13. Effects of calcium magnesium acetate on the combustion of coal-water slurries. Ninth quarterly project status report, 1 September 1991--30 November 1991

    SciTech Connect

    Levendis, Y.A.

    1991-12-31

    The general objective of the project is to investigate the combustion behavior of single and multiple Coal-Water Fuel (CWF) particles burning at high temperature environments. Both uncatalyzed as well as catalyzed CWF drops with Calcium Magnesium Acetate (CMA) catalyst will be studies. Emphasis will also be given in the effects of CMA on the sulfur capture during combustion.

  14. DOE Project 18546, AOP Task 1.1, Fuel Effects on Advanced Combustion Engines

    SciTech Connect

    Bunting, Bruce G; Bunce, Michael

    2012-01-01

    Research in 2011 was focused on diesel range fuels and diesel combustion and fuels evaluated in 2011 included a series of oxygenated biofuels fuels from University of Maine, oxygenated fuel compounds representing materials which could be made from sewage, oxygenated marine diesel fuels for low emissions, and a new series of FACE fuel surrogates and FACE fuels with detailed exhaust chemistry and particulate size measurements. Fuels obtained in late 2011, which will be evaluated in 2012, include a series of oil shale derived fuels from PNNL, green diesel fuel (hydrotreated vegetable oil) from UOP, University of Maine cellulosic biofuel (levulene), and pyrolysis derived fuels from UOP pyrolysis oil, upgraded at University of Georgia. We were able to demonstrate, through a project with University of Wisconsin, that a hybrid strategy for fuel surrogates provided both accurate and rapid CFD combustion modeling for diesel HCCI. In this strategy, high molecular weight compounds are used to more accurately represent physical processes and smaller molecular weight compounds are used for chemistry to speed chemical calculations. We conducted a small collaboration with sp3H, a French company developing an on-board fuel quality sensor based on near infrared analysis to determine how to use fuel property and chemistry information for engine control. We were able to show that selected outputs from the sensor correlated to both fuel properties and to engine performance. This collaboration leveraged our past statistical analysis work and further work will be done as opportunity permits. We conducted blending experiments to determine characteristics of ethanol blends based on the gasoline characteristics used for blending. Results indicate that much of the octane benefits gained by high level ethanol blending can be negated by use of low octane gasoline blend stocks, as allowed by ASTM D5798. This may limit ability to optimize engines for improved efficiency with ethanol fuels

  15. Coal combustion science

    SciTech Connect

    Hardesty, D.R.; Baxter, L.L.; Fletcher, T.H.; Mitchell, R.E.

    1990-11-01

    The objective of this activity is to support the Office of Fossil Energy in executing research on coal combustion science. This activity consists of basic research on coal combustion that supports both the Pittsburgh Energy Technology Center (PETC) Direct Utilization Advanced Research and Technology Development Program, and the International Energy Agency (IEA) Coal Combustion Science Project. Specific tasks include: coal devolatilization, coal char combustion, and fate of mineral matter during coal combustion. 91 refs., 40 figs., 9 tabs.

  16. Critical evaluation of Jet-A spray combustion using propane chemical kinetics in gas turbine combustion simulated by KIVA-II

    NASA Technical Reports Server (NTRS)

    Nguyen, H. L.; Ying, S.-J.

    1990-01-01

    Numerical solutions of the Jet-A spray combustion were obtained by means of the KIVA-II computer code after Jet-A properties were added to the 12 chemical species the program had initially contained. Three different reaction mechanism models are considered. The first model consists of 131 reactions and 45 species; it is evaluated by comparing calculated ignition delay times with available shock tube data, and it is used in the evaluation of the other two simplified models. The simplified mechanisms consider 45 reactions and 27 species and 5 reactions and 12 species, respectively. In the prediction of pollutants NOx and CO, the full mechanism of 131 reactions is considered to be more reliable. The numerical results indicate that the variation of the maximum flame temperature is within 20 percent as compared with that of the full mechanism of 131 reactions. The chemical compositions of major components such as C3H8, H2O, O2, CO2, and N2 are of the same order of magnitude. However, the concentrations of pollutants are quite different.

  17. Kinetic Rate Kernels via Hierarchical Liouville-Space Projection Operator Approach.

    PubMed

    Zhang, Hou-Dao; Yan, YiJing

    2016-05-19

    Kinetic rate kernels in general multisite systems are formulated on the basis of a nonperturbative quantum dissipation theory, the hierarchical equations of motion (HEOM) formalism, together with the Nakajima-Zwanzig projection operator technique. The present approach exploits the HEOM-space linear algebra. The quantum non-Markovian site-to-site transfer rate can be faithfully evaluated via projected HEOM dynamics. The developed method is exact, as evident by the comparison to the direct HEOM evaluation results on the population evolution. PMID:26757138

  18. Combustion Stability Characteristics of the Project Morpheus Liquid Oxygen / Liquid Methane Main Engine

    NASA Technical Reports Server (NTRS)

    Melcher, John C.; Morehead, Robert L.

    2014-01-01

    The project Morpheus liquid oxygen (LOX) / liquid methane (LCH4) main engine is a Johnson Space Center (JSC) designed 5,000 lbf-thrust, 4:1 throttling, pressure-fed cryogenic engine using an impinging element injector design. The engine met or exceeded all performance requirements without experiencing any in- ight failures, but the engine exhibited acoustic-coupled combustion instabilities during sea-level ground-based testing. First tangential (1T), rst radial (1R), 1T1R, and higher order modes were triggered by conditions during the Morpheus vehicle derived low chamber pressure startup sequence. The instability was never observed to initiate during mainstage, even at low power levels. Ground-interaction acoustics aggravated the instability in vehicle tests. Analysis of more than 200 hot re tests on the Morpheus vehicle and Stennis Space Center (SSC) test stand showed a relationship between ignition stability and injector/chamber pressure. The instability had the distinct characteristic of initiating at high relative injection pressure drop at low chamber pressure during the start sequence. Data analysis suggests that the two-phase density during engine start results in a high injection velocity, possibly triggering the instabilities predicted by the Hewitt stability curves. Engine ignition instability was successfully mitigated via a higher-chamber pressure start sequence (e.g., 50% power level vs 30%) and operational propellant start temperature limits that maintained \\cold LOX" and \\warm methane" at the engine inlet. The main engine successfully demonstrated 4:1 throttling without chugging during mainstage, but chug instabilities were observed during some engine shutdown sequences at low injector pressure drop, especially during vehicle landing.

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

    SciTech Connect

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

    1987-12-01

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

  20. Combustion of n-heptane in a shock tube and in a stirred reactor: A detailed kinetic modeling study

    SciTech Connect

    Gaffuri, P.; Curran, H.J.; Pitz, W.J.; Westbrook, C.K.

    1995-04-13

    A detailed chemical kinetic reaction mechanism is used to study the oxidation of n-heptane under several classes of conditions. Experimental results from ignition behind reflected shock waves and in a rapid compression machine were used to develop and validate the reaction mechanism at relatively high temperatures, while data from a continuously stirred tank reactor (cstr) were used to refine the low temperature portions of the reaction mechanism. In addition to the detailed kinetic modeling, a global or lumped kinetic mechanism was used to study the same experimental results. The lumped model was able to identify key reactions and reaction paths that were most sensitive in each experimental regime and provide important guidance for the detailed modeling effort. In each set of experiments, a region of negative temperature coefficient (NTC) was observed. Variation in pressure from 5 to 40 bars were found to change the temperature range over which the NTC region occurred. Both the lumped and detailed kinetic models reproduced the measured results in each type of experiments, including the features of the NTC region, and the specific elementary reactions and reaction paths responsible for this behavior were identified and rate expressions for these reactions were determined.

  1. Animal Guts as Ideal Reactors: An Open-Ended Project for a Course in Kinetics and Reactor Design.

    ERIC Educational Resources Information Center

    Carlson, Eric D.; Gast, Alice P.

    1998-01-01

    Presents an open-ended project tailored for a senior kinetics and reactor design course in which basic reactor design equations are used to model the digestive systems of several animals. Describes the assignment as well as the results. (DDR)

  2. Using Kinetics Experiments from "The Journal of Chemical Education" as the Basis for High School Science Projects.

    ERIC Educational Resources Information Center

    Liebermann, John, Jr.

    1988-01-01

    Explores the selection, source, funding, time constraints, and community support involved in developing carefully planned and executed science projects. Lists 21 kinetics experiments noting the instrumentation needed and the original references. (MVL)

  3. Lignite combustion test project interim report: Tests L101-L114

    SciTech Connect

    Phillips, K.E.; Wilson, K.B.

    1980-08-01

    Fluidized bed combustion research on North Dakota lignite is being performed by Combustion Power Company, Inc. under contract to Grand Forks Energy Technology Center in a 7 sq ft Atmospheric Fluid Bed Combustor. A series of 14 parameteric tests have been completed in which various combinations of bed temperature, superficial velocity, excess air, and limestone Ca/S ratios made up the test matrix. Twelve of the 14 tests used ash recycle. The test results extend the lignite combustion characteristics determined from GFETC tests on smaller reactors with respect to: (1) sulfur retention on lignite ash and supplemental sorbents; (2) ash and bed agglomeration problems; (3) effect of operational conditions and bed characteristics on heat transfer coeffficient; (4) ash reinjection; and (5) flue gas pollutants. This interim report summarizes the test setup, test procedures and test results, describes operational problems, and provides observations noted during the tests and on post-test inspections.

  4. Combustion Stability Characteristics of the Project Morpheus Liquid Oxygen/Liquid Methane Main Engine

    NASA Technical Reports Server (NTRS)

    Melcher, J. C.; Morehead, Robert L.

    2014-01-01

    The Project Morpheus liquid oxygen (LOX) / liquid methane rocket engines demonstrated acousticcoupled combustion instabilities during sea-level ground-based testing at the NASA Johnson Space Center (JSC) and Stennis Space Center (SSC). High-amplitude, 1T, 1R, 1T1R (and higher order) modes appear to be triggered by injector conditions. The instability occurred during the Morpheus-specific engine ignition/start sequence, and did demonstrate the capability to propagate into mainstage. However, the instability was never observed to initiate during mainstage, even at low power levels. The Morpheus main engine is a JSC-designed 5,000 lbf-thrust, 4:1 throttling, pressure-fed cryogenic engine using an impinging element injector design. Two different engine designs, named HD4 and HD5, and two different builds of the HD4 engine all demonstrated similar instability characteristics. Through the analysis of more than 200 hot fire tests on the Morpheus vehicle and SSC test stand, a relationship between ignition stability and injector/chamber pressure was developed. The instability has the distinct characteristic of initiating at high relative injection pressure drop (dP) at low chamber pressure (Pc); i.e., instabilities initiated at high dP/Pc at low Pc during the start sequence. The high dP/Pc during start results during the injector /chamber chill-in, and is enhanced by hydraulic flip in the injector orifice elements. Because of the fixed mixture ratio of the existing engine design (the main valves share a common actuator), it is not currently possible to determine if LOX or methane injector dP/Pc were individual contributors (i.e., LOX and methane dP/Pc typically trend in the same direction within a given test). The instability demonstrated initiation characteristic of starting at or shortly after methane injector chillin. Colder methane (e.g., sub-cooled) at the injector inlet prior to engine start was much more likely to result in an instability. A secondary effect of LOX

  5. Fifteenth combustion research conference

    SciTech Connect

    1993-06-01

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

  6. W.A. Parish Post-Combustion CO{sub 2} Capture and Sequestration Project Phase 1 Definition

    SciTech Connect

    Armpriester, Anthony; Smith, Roger; Scheriffius, Jeff; Smyth, Rebecca; Istre, Michael

    2014-02-01

    For a secure and sustainable energy future, the United States (U.S.) must reduce its dependence on imported oil and reduce its emissions of carbon dioxide (CO{sub 2}) and other greenhouse gases (GHGs). To meet these strategic challenges, the U.S. wiU have to create fundamentally new technologies with performance levels far beyond what is now possible. Developing advanced post-combustion clean coal technologies for capturing CO{sub 2} from existing coal-fired power plants can play a major role in the country's transition to a sustainable energy future, especially when coupled with CO{sub 2}-enhanced oil recovery (CO{sub 2}-EOR). Pursuant to these goals, NRG Energy, Inc. (NRG) submitted an application and entered into a cost-shared collaboration with the U.S. Department of Energy (DOE) under Round 3 of the Clean Coal Power Initiative (CCPI) to advance low-emission coal technologies. The objective of the NRG W A Parish Post-Combustion CO{sub 2} Capture and Sequestration Demonstration Project is to establish the technical feasibility and economic viability of post-combustion CO{sub 2} capture using flue gas from an existing pulverized coal-fired boiler integrated with geologic sequestration via an enhanced oil recovery (EOR) process. To achieve these objectives, the project will be executed in three phases. Each phase represents a distinct aspect of the project execution. The project phases are: • Phase I. Project Definition/Front-End Engineering Design (FEED) • Phase ll. Detailed Engineering, Procurement & Construction • Phase III. Demonstration and Monitoring The purpose of Phase I is to develop the project in sufficient detail to facilitate the decision-making process in progressing to the next stage of project delivery. Phase n. This report provides a complete summary of the FEED study effort, including pertinent project background information, the scope of facilities covered, decisions, challenges, and considerations made regarding configuration and

  7. Spectroscopic and chemical-kinetic analysis of the phases of HCCI autoignition and combustion for single- and two-stage ignition fuels

    SciTech Connect

    Hwang, Wontae; Dec, John; Sjoeberg, Magnus

    2008-08-15

    The temporal phases of autoignition and combustion in an HCCI engine have been investigated in both an all-metal engine and a matching optical engine. Gasoline, a primary reference fuel mixture (PRF80), and several representative real-fuel constituents were examined. Only PRF80, which is a two-stage ignition fuel, exhibited a ''cool-flame'' low-temperature heat-release (LTHR) phase. For all fuels, slow exothermic reactions occurring at intermediate temperatures raised the charge temperature to the hot-ignition point. In addition to the amount of LTHR, differences in this intermediate-temperature heat-release (ITHR) phase affect the fuel ignition quality. Chemiluminescence images of iso-octane show a weak and uniform light emission during this phase. This is followed by the main high-temperature heat-release (HTHR) phase. Finally, a ''burnout'' phase was observed, with very weak uniform emission and near-zero heat-release rate (HRR). To better understand these combustion phases, chemiluminescence spectroscopy and chemical-kinetic analysis were applied for the single-stage ignition fuel, iso-octane, and the two-stage fuel, PRF80. For both fuels, the spectrum obtained during the ITHR phase was dominated by formaldehyde chemiluminescence. This was similar to the LTHR spectrum of PRF80, but the emission intensity and the temperature were much higher, indicating differences between the ITHR and LTHR phases. Chemical-kinetic modeling clarified the differences and similarities between the LTHR and ITHR phases and the cause of the enhanced ITHR with PRF80. The HTHR spectra for both fuels were dominated by a broad CO continuum with some contribution from bands of HCO, CH, and OH. The modeling showed that the CO+ O{yields}CO{sub 2}+h{nu} reaction responsible for the CO continuum emission tracks the HTHR well, explaining the strong correlation observed experimentally between the total chemiluminescence and HRR during the HTHR phase. It also showed that the CO continuum does

  8. Combustion modeling in internal combustion engines

    NASA Technical Reports Server (NTRS)

    Zeleznik, F. J.

    1976-01-01

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

  9. Structure and thermochemical kinetic studies of coal pyrolysis

    SciTech Connect

    Dodoo, J.N.D.

    1991-01-01

    The overall objectives of this project is an intensive effort on the application of laser to the microscopic structure and thermochemical kinetic studies of coal particles pyrolysis, char combustion and ash transformation at combustion level heat fluxes in a laser beam. Research emphasis in FY91 is placed on setup and calibration of the laser pyrolysis system, preparation and mass loss studies of Beulah lignite and subbituminous coals. The task is therefore divided into three subtasks.

  10. Sandia Combustion Research: Technical review

    SciTech Connect

    1995-07-01

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

  11. Bubble Combustion

    NASA Technical Reports Server (NTRS)

    Corrigan, Jackie

    2004-01-01

    , 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.

  12. Kinetic Model Development for the Combustion of Particulate Matter from Conventional and Soy Methyl Ester Diesel Fuels

    SciTech Connect

    Strzelec, Andrea

    2009-12-01

    The primary objective of this research has been to investigate how the oxidation characteristics of diesel particulate matter (PM) are affected by blending soy-based biodiesel fuel with conventional ultra low sulfur diesel (ULSD) fuel. PM produced in a light duty engine from different biodiesel-conventional fuel blends was subjected to a range of physical and chemical measurements in order to better understand the mechanisms by which fuel-related changes to oxidation reactivity are brought about. These observations were then incorporated into a kinetic model to predict PM oxidation. Nanostructure of the fixed carbon was investigated by HR-TEM and showed that particulates from biodiesel had a more open structure than particulates generated from conventional diesel fuel, which was confirmed by BET surface area measurements. Surface area evolution with extent of oxidation reaction was measured for PM from ULSD and biodiesel. Biodiesel particulate has a significantly larger surface area for the first 40% of conversion, at which point the samples become quite similar. Oxidation characteristics of nascent PM and the fixed carbon portion were measured by temperature programmed oxidation (TPO) and it was noted that increased biodiesel blending lowered the light-off temperature as well as the temperature where the peak rate of oxidation occurred. A shift in the oxidation profiles of all fuels was seen when the mobile carbon fraction was removed, leaving only the fixed carbon, however the trend in temperature advantage of the biofuel blending remained. The mobile carbon fraction was measured by temperature programmed desorption found to generally increase with increasing biodiesel blend level. The relative change in the light-off temperatures for the nascent and fixed carbon samples was found to be related to the fraction of mobile carbon. Effective Arrhenius parameters for fixed carbon oxidation were directly measured with isothermal, differential oxidation experiments

  13. Hot gas cleanup test facility for gasification and pressurized combustion project. Quarterly report, October--December 1995

    SciTech Connect

    1996-02-01

    The objective of this project is to evaluate hot gas particle control technologies using coal-derived gas streams. This will entail the design, construction, installation, and use of a flexible test facility which can operate under realistic gasification and combustion conditions. The conceptual design of the facility was extended to include a within scope, phased expansion of the existing Hot Gas Cleanup Test Facility Cooperative Agreement to also address systems integration issues of hot particulate removal in advanced coal-based power generation systems. This expansion included the consideration of the following modules at the test facility in addition to the original Transport Reactor gas source and Hot Gas Cleanup Units: Carbonizer/pressurized circulating fluidized bed gas source; hot gas cleanup units to mate to all gas streams; combustion gas turbine; and fuel cell and associated gas treatment. This expansion to the Hot Gas Cleanup Test Facility is herein referred to as the Power Systems Development Facility (PSDF). The major emphasis during this reporting period was continuing the detailed design of the facility towards completion and integrating the balance-of-plant processes and particulate control devices (PCDs) into the structural and process designs. Substantial progress in construction activities was achieved during this quarter.

  14. Reduction kinetics of Cu-, Ni-, and Fe-based oxygen carriers using syngas (CO + H{sub 2}) for chemical-looping combustion

    SciTech Connect

    Alberto Abad; Francisco Garcia-Labiano; Luis F. de Diego; Pilar Gayn; Juan Adnez

    2007-08-15

    The reactivity of three Cu-, Fe-, and Ni-based oxygen carriers to be used in a chemical-looping combustion (CLC) system using syngas as fuel has been analyzed. The oxygen carriers exhibited high reactivity during reduction with fuel gases present in syngas (H{sub 2} and CO), with average values in the range 8-30% min{sup -1}. No effect of the gas products (H{sub 2}O, CO{sub 2}) on the reduction reaction rate was detected. The kinetic parameters of reaction with H{sub 2} and CO have been determined by thermogravimetric analysis. The grain model with spherical or platelike geometry in the grain was used for the kinetic determination, in which the chemical reaction controlled the global reaction rate. The activation energies determined for these reactions were low, with values ranging from 14 to 33 kJ mol{sup -1}. The reaction order depended on the reacting gas, and values from 0.5 to 1 were found. Moreover, the reactivity of the oxygen carriers when both H{sub 2} and CO are simultaneously present in the reacting gases has been analyzed, both at atmospheric and pressurized conditions. For the Cu- and Fe-based oxygen carriers, the reaction rate of the oxygen carrier with syngas corresponded to the addition of the reaction rates for the individual fuel gases, H{sub 2} and CO. For the Ni-based oxygen carrier, the reaction rate was that corresponding to the fuel gas that reacted faster with the oxygen carrier at the reacting conditions (fuel concentration, temperature, and pressure). The consequences of the behavior of the reaction of syngas and the water-gas shift (WGS) equilibrium on the design of the fuel reactor of a CLC system have been analyzed. A preliminary estimation of the solids inventory for the use of syngas in the fuel reactor of a CLC system gave values in the range of 19-34 kg MW{sup -1} when the WGS equilibrium was considered to be instantaneous. 8 figs., 4 tabs.

  15. Projected and hidden Markov models for calculating kinetics and metastable states of complex molecules.

    PubMed

    Noé, Frank; Wu, Hao; Prinz, Jan-Hendrik; Plattner, Nuria

    2013-11-14

    Markov state models (MSMs) have been successful in computing metastable states, slow relaxation timescales and associated structural changes, and stationary or kinetic experimental observables of complex molecules from large amounts of molecular dynamics simulation data. However, MSMs approximate the true dynamics by assuming a Markov chain on a clusters discretization of the state space. This approximation is difficult to make for high-dimensional biomolecular systems, and the quality and reproducibility of MSMs has, therefore, been limited. Here, we discard the assumption that dynamics are Markovian on the discrete clusters. Instead, we only assume that the full phase-space molecular dynamics is Markovian, and a projection of this full dynamics is observed on the discrete states, leading to the concept of Projected Markov Models (PMMs). Robust estimation methods for PMMs are not yet available, but we derive a practically feasible approximation via Hidden Markov Models (HMMs). It is shown how various molecular observables of interest that are often computed from MSMs can be computed from HMMs/PMMs. The new framework is applicable to both, simulation and single-molecule experimental data. We demonstrate its versatility by applications to educative model systems, a 1 ms Anton MD simulation of the bovine pancreatic trypsin inhibitor protein, and an optical tweezer force probe trajectory of an RNA hairpin. PMID:24320261

  16. Projected and hidden Markov models for calculating kinetics and metastable states of complex molecules

    NASA Astrophysics Data System (ADS)

    Noé, Frank; Wu, Hao; Prinz, Jan-Hendrik; Plattner, Nuria

    2013-11-01

    Markov state models (MSMs) have been successful in computing metastable states, slow relaxation timescales and associated structural changes, and stationary or kinetic experimental observables of complex molecules from large amounts of molecular dynamics simulation data. However, MSMs approximate the true dynamics by assuming a Markov chain on a clusters discretization of the state space. This approximation is difficult to make for high-dimensional biomolecular systems, and the quality and reproducibility of MSMs has, therefore, been limited. Here, we discard the assumption that dynamics are Markovian on the discrete clusters. Instead, we only assume that the full phase-space molecular dynamics is Markovian, and a projection of this full dynamics is observed on the discrete states, leading to the concept of Projected Markov Models (PMMs). Robust estimation methods for PMMs are not yet available, but we derive a practically feasible approximation via Hidden Markov Models (HMMs). It is shown how various molecular observables of interest that are often computed from MSMs can be computed from HMMs/PMMs. The new framework is applicable to both, simulation and single-molecule experimental data. We demonstrate its versatility by applications to educative model systems, a 1 ms Anton MD simulation of the bovine pancreatic trypsin inhibitor protein, and an optical tweezer force probe trajectory of an RNA hairpin.

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

    SciTech Connect

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

    2009-01-15

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

  18. Uncertainty in projected climate change caused by methodological discrepancy in estimating CO2 emissions from fossil fuel combustion

    NASA Astrophysics Data System (ADS)

    Quilcaille, Yann; Gasser, Thomas; Ciais, Philippe; Lecocq, Franck; Janssens-Maenhout, Greet; Mohr, Steve; Andres, Robert J.; Bopp, Laurent

    2016-04-01

    There are different methodologies to estimate CO2 emissions from fossil fuel combustion. The term "methodology" refers to the way subtypes of fossil fuels are aggregated and their implied emissions factors. This study investigates how the choice of a methodology impacts historical and future CO2 emissions, and ensuing climate change projections. First, we use fossil fuel extraction data from the Geologic Resources Supply-Demand model of Mohr et al. (2015). We compare four different methodologies to transform amounts of fossil fuel extracted into CO2 emissions based on the methodologies used by Mohr et al. (2015), CDIAC, EDGARv4.3, and IPCC 1996. We thus obtain 4 emissions pathways, for the historical period 1750-2012, that we compare to the emissions timeseries from EDGARv4.3 (1970-2012) and CDIACv2015 (1751-2011). Using the 3 scenarios by Mohr et al. (2015) for projections till 2300 under the assumption of an Early (Low emission), Best Guess or Late (High emission) extraction peaking, we obtain 12 different pathways of CO2 emissions over 1750-2300. Second, we extend these CO2-only pathways to all co-emitted and climatically active species. Co-emission ratios for CH4, CO, BC, OC, SO2, VOC, N2O, NH3, NOx are calculated on the basis of the EDGAR v4.3 dataset, and are then used to produce complementary pathways of non-CO2 emissions from fossil fuel combustion only. Finally, the 12 emissions scenarios are integrated using the compact Earth system model OSCAR v2.2, in order to quantify the impact of the selected driver onto climate change projections. We find historical cumulative fossil fuel CO2 emissions from 1750 to 2012 ranging from 365 GtC to 392 GtC depending upon the methodology used to convert fossil fuel into CO2 emissions. We notice a drastic increase of the impact of the methodology in the projections. For the High emission scenario with Late fuel extraction peaking, cumulated CO2 emissions from 1700 to 2100 range from 1505 GtC to 1685 GtC; this corresponds

  19. Fuel properties to enable lifted-flame combustion

    SciTech Connect

    Kurtz, Eric

    2015-03-15

    understanding of flame lift-off, generate model validation data, and demonstrate LLFC concurrent with FMC efforts. Additionally, LLNL was added to the project during the second year to develop a detailed kinetic mechanism for a key oxygenate to support CFD modeling. Successful completion of this project allowed the team to enhance fundamental understanding of LLFC, improve the state of current combustion models and increase understanding of desired fuel properties. This knowledge also improves our knowledge of how cost effective and environmentally friendly renewable fuels can assist in helping meet future emission and greenhouse gas regulations.

  20. Black carbon and fine particle emissions in Finnish residential wood combustion: Emission projections, reduction measures and the impact of combustion practices

    NASA Astrophysics Data System (ADS)

    Savolahti, Mikko; Karvosenoja, Niko; Tissari, Jarkko; Kupiainen, Kaarle; Sippula, Olli; Jokiniemi, Jorma

    2016-09-01

    Residential wood combustion (RWC) is a major source of black carbon (BC) and PM2.5 emissions in Finland. Making a robust assessment of emissions on a national level is a challenge due to the varying heater technologies and the effect of users' combustion practices. In this paper we present an update of the emission calculation scheme for Finnish RWC, including technology-specific emission factors based on national measurements. Furthermore, we introduce a transparent method to assess the impact of poor combustion practices on emissions. Using a Finnish emission model, we assessed the emissions in 2000, 2010 and 2030, as well as the cost-efficiency of potential emission reduction measures. The results show that RWC is the biggest source of both PM2.5 and BC emissions in Finland, accounting for 37% and 55% of the total respective emissions. It will also remain the biggest source in the future, and it's role may become even more pronounced if wood consumption continues to increase. Sauna stoves cause the most emissions and also show the biggest potential for emission reductions. Informational campaigns targeted to improve heater users' combustion practices appear as a highly cost-efficient measure, although their impact on country-level emissions was estimated to be relatively limited.

  1. Hot Gas Cleanup Test Facility for Gasification and Pressurized Combustion Project. Quarterly report, April--June 1996

    SciTech Connect

    1996-12-31

    The objective of this project is to evaluate hot gas particle control technologies using coal-derived as streams. This will entail the design, construction, installation, and use of a flexible test facility which can operate under realistic gasification and combustion conditions. The major particulate control device issues to be addressed Include the integration of the particulate control devices into coal utilization systems, on-line cleaning, techniques, chemical and thermal degradation of components, fatigue or structural failures, blinding, collection efficiency as a function of particle size, and scale-up of particulate control systems to commercial size. The conceptual design of the facility was extended to include a within scope, phased expansion of the existing, Hot Gas Cleanup Test Facility Cooperative Agreement to also address systems integration issues of hot particulate removal in advanced coal-based power generation systems. This expansion included the consideration of the following modules at the test facility in addition to the original Transport Reactor gas source and Hot Gas Cleanup Units: 1 . Carbonizer/Pressurized Circulating, Fluidized Bed Gas Source; 2. Hot Gas Cleanup Units to mate to all gas streams; 3. Combustion Gas Turbine; 4. Fuel Cell and associated gas treatment. This expansion to the Hot Gas Cleanup Test Facility is herein referred to as the Power Systems Development Facility (PSDF). The major emphasis during, this reporting period was continuing, the detailed design of the FW portion of the facility towards completion and integrating the balance-of-plant processes and particulate control devices (PCDS) into the structural and process designs. Substantial progress in construction activities was achieved during the quarter. Delivery and construction of the process structural steel is complete and the construction of steel for the coal preparation structure is complete.

  2. Studies in combustion dynamics

    SciTech Connect

    Koszykowski, M.L.

    1993-12-01

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

  3. The Springdale project: Applying constructed wetland treatment to coal combustion by-product leachate. Final report

    SciTech Connect

    Rightnour, T.A.; Hoover, K.L.

    1998-11-01

    The Springdale constructed wetland treatment system was completed in 1995 under an Electric Power Research Institute tailored collaboration agreement with Allegheny Power to test the operational and economic feasibility of using constructed wetland technologies to treat coal combustion by-product leachate. The system design incorporates an oxidation/precipitation basin, vegetated wetlands, manganese-oxidizing rock drains, an organic upflow cell, an algal uptake basin, and a greenhoused phytoremediation research facility. Influent and effluent chemical loadings to the individual system components have been monitored for a period of two years. Results show the system to be highly effectively in treating aqueous metals, with concentration reductions for the primary parameters being 98% for iron, 92% for manganese, and 71% for aluminum, along with significant reductions in other trace metals and concurrent improvements in pH and alkalinity. NPDES compliance has been achieved for all aqueous metals parameters except boron, which does not appear to be treatable by any means on this site. A cost comparison to four conventional chemical treatment alternatives indicates that capital investment would be comparable between constructed wetlands and chemical treatment, while significant long-term savings are predicted for the constructed wetland system due to lower operational and maintenance costs. The estimated 50 year present value savings for the constructed wetland system is approximately $1.271 million over the least expensive chemical treatment alternative, and $3.731 million over the most expensive. Operational and maintenance cost savings are primarily the result of lower on-site labor and lower waste disposal costs due to denser sludge formation in the wetland system.

  4. Opportunities in pulse combustion

    NASA Astrophysics Data System (ADS)

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

    1985-10-01

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

  5. Combustion Of Metals In Reduced Gravity And Extraterrestrial Environments

    NASA Technical Reports Server (NTRS)

    Abbud-Madrid, A.; Modak, A.; Branch, M. C.

    2003-01-01

    The recent focus of this research project has been to model the combustion of isolated metal droplets and, in particular, to couple the existing theories and formulations of phenomena such as condensation, reaction kinetics, radiation, and surface reactions to formulate a more complete combustion model. A fully transient, one-dimensional (spherical symmetry) numerical model that uses detailed chemical kinetics, multi-component molecular transport mechanisms, condensation kinetics, and gas phase radiation heat transfer was developed. A coagulation model was used to simulate the particulate formation of MgO. The model was used to simulate the combustion of an Mg droplet in pure O2 and CO2. Methanol droplet combustion is considered as a test case for the solution method for both quasi-steady and fully transient simulations. Although some important processes unique to methanol combustion, such as water absorption at the surface, are not included in the model, the results are in sufficient agreement with the published data. Since the major part of the heat released in combustion of Mg, and in combustion of metals in general, is due to the condensation of the metal oxide, it is very important to capture the condensation processes correctly. Using the modified nucleation theory, an Arrhenius type rate expression is derived to calculate the condensation rate of MgO. This expression can be easily included in the CHEMKIN reaction mechanism format. Although very little property data is available for MgO, the condensation rate expression derived using the existing data is able to capture the condensation of MgO. An appropriate choice of the reference temperature to calculate the rate coefficients allows the model to correctly predict the subsequent heat release and hence the flame temperature.

  6. Identification and temporal behavior of radical intermediates formed during the combustion and pyrolysis of gaseous fuels: Kinetic pathways to soot formation. Final performance report, July 1, 1994--June 30, 1997

    SciTech Connect

    Kern, R.D.

    1998-09-01

    The authors have developed software in-house to automate the processing of peak heights recorded from the shock tube: time-of-flight mass spectrometer (TOF) experiments in a format suitable for the modeling programs and have performed numerous ab initio calculations to provide energy barrier values and thermodynamic data for several key reactions in various reaction mechanisms. Each of the studies described here has contributed to the understanding of the detailed kinetics of the reactions of acyclic fuels, the thermal decompositions of aromatic ring compounds, the shock tube techniques dedicated to combustion science problems, and the role of theoretical chemistry in providing essential thermodynamic and kinetics information necessary for constructing plausible reaction mechanisms. The knowledge derived from these investigations is applicable not only to the area of pre-particle soot formation chemistry, but also to various incineration and coal pyrolysis problems.

  7. Simulation of rarefied gas flows on the basis of the Boltzmann kinetic equation solved by applying a conservative projection method

    NASA Astrophysics Data System (ADS)

    Dodulad, O. I.; Kloss, Yu. Yu.; Potapov, A. P.; Tcheremissine, F. G.; Shuvalov, P. V.

    2016-06-01

    Flows of a simple rarefied gas and gas mixtures are computed on the basis of the Boltzmann kinetic equation, which is solved by applying various versions of the conservative projection method, namely, a two-point method for a simple gas and gas mixtures with a small difference between the molecular masses and a multipoint method in the case of a large mass difference. Examples of steady and unsteady flows are computed in a wide range of Mach and Knudsen numbers.

  8. CE IGCC Repowering Project: Use of the Lockheed Kinetic Extruder for coal feeding; Topical report, June 1993

    SciTech Connect

    1994-02-01

    ABB CE is evaluating alternate methods of coal feed across a pressure barrier for its pressurized coal gasification process. The Lockheed Kinetic Extruder has shown to be one of the most promising such developments. In essence, the Kinetic Extruder consists of a rotor in a pressure vessel. Coal enters the rotor and is forced outward to the surrounding pressure vessel by centrifugal force. The force on the coal passing across the rotor serves as a pressure barrier. Should this technology be successfully developed and tested, it could reduce the cost of IGCC technology by replacing the large lockhoppers conventionally used with a much smaller system. This will significantly decrease the size of the gasifier island. Kinetic Extruder technology needs testing over an extended period of time to develop and prove the long term reliability and performance needed in a commercial application. Major issues to be investigated in this program are component design for high temperatures, turn-down, scale-up factors, and cost. Such a test would only be economically feasible if it could be conducted on an existing plant. This would defray the cost of power and feedstock. Such an installation was planned for the CE IGCC Repowering Project in Springfield, Illinois. Due to budgetary constraints, however, this provision was dropped from the present plant design. It is believed that, with minor design changes, a small scale test version of the Kinetic Extruder could be installed parallel to an existing lockhopper system without prior space allocation. Kinetic Extruder technology represents significant potential cost savings to the IGCC process. For this reason, a test program similar to that specified for the Springfield project would be a worthwhile endeavor.

  9. The 33rd JANNAF Combustion Subcommittee Meeting. Volume 2

    NASA Technical Reports Server (NTRS)

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

    1996-01-01

    This volume, the second of four volumes, is a collection of 48 unclassified/unlimited papers which were presented at the 33rd Joint Army-Navy-NASA-Air Force (JANNAF) Combustion Subcommittee Meeting conjunction with the Propulsion Systems Hazards Subcommittee held 4-8 November 1996 at the Naval Postgraduate School, Monterey, CA. The JANNAF papers contained in this volume review many areas of solid propellant combustion to include combustion fundamentals, combustion instability fundamentals and combustion instability applied to motors, AP combustion, Nitramine combustion, metal combustion, kinetics and spectroscopy and combustion topics of broad general interest.

  10. Chemical kinetic modeling of H{sub 2} applications

    SciTech Connect

    Marinov, N.M.; Westbrook, C.K.; Cloutman, L.D.

    1995-09-01

    Work being carried out at LLNL has concentrated on studies of the role of chemical kinetics in a variety of problems related to hydrogen combustion in practical combustion systems, with an emphasis on vehicle propulsion. Use of hydrogen offers significant advantages over fossil fuels, and computer modeling provides advantages when used in concert with experimental studies. Many numerical {open_quotes}experiments{close_quotes} can be carried out quickly and efficiently, reducing the cost and time of system development, and many new and speculative concepts can be screened to identify those with sufficient promise to pursue experimentally. This project uses chemical kinetic and fluid dynamic computational modeling to examine the combustion characteristics of systems burning hydrogen, either as the only fuel or mixed with natural gas. Oxidation kinetics are combined with pollutant formation kinetics, including formation of oxides of nitrogen but also including air toxics in natural gas combustion. We have refined many of the elementary kinetic reaction steps in the detailed reaction mechanism for hydrogen oxidation. To extend the model to pressures characteristic of internal combustion engines, it was necessary to apply theoretical pressure falloff formalisms for several key steps in the reaction mechanism. We have continued development of simplified reaction mechanisms for hydrogen oxidation, we have implemented those mechanisms into multidimensional computational fluid dynamics models, and we have used models of chemistry and fluid dynamics to address selected application problems. At the present time, we are using computed high pressure flame, and auto-ignition data to further refine the simplified kinetics models that are then to be used in multidimensional fluid mechanics models. Detailed kinetics studies have investigated hydrogen flames and ignition of hydrogen behind shock waves, intended to refine the detailed reactions mechanisms.

  11. Turbulence modeling in supersonic combusting flows

    NASA Technical Reports Server (NTRS)

    Chitsomboon, Tawit

    1991-01-01

    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.

  12. Research and development of hydrogen combustion turbine and very hot side heat exchanger in WE-NET project

    SciTech Connect

    Mouri, K.; Taniguchi, H.; Arai, N.; Maekawa, H.

    1998-07-01

    Japan Power Engineering and Inspection Corporation (JAPEIC) has been conducting research and development into 1,700 C Hydrogen Combustion Turbine and Very Hot Side Heat Exchangers (VHSHE) as part of the World Energy Network Program (WE-NET) entrusted by New Energy and Industrial Technology Development Organization (NEDO). Three cooling systems for 1,700 C Turbine blades have been selected and their performance will be tested using an actual hydrogen combustion test facility located at Tasiro, Japan. A new cycle to achieve over 60% plant efficiency has been selected, and the key technology in this cycle is the VHSHE with serious conditions of over 1,700 C of steam. This paper will discuss the present state of 1,700 C Turbine Cooling Systems, the worlds first test of hydrogen combustion test program in 1998, and the new cycle of hydrogen combustion power system concentrating on VHSHE.

  13. Influences of H2O mass fraction and chemical kinetics mechanism on the turbulent diffusion combustion of H2-O2 in supersonic flows

    NASA Astrophysics Data System (ADS)

    Huang, Wei; Wang, Zhen-guo; Li, Shi-bin; Liu, Wei-dong

    2012-07-01

    Hydrogen is one of the most promising fuels for the airbreathing hypersonic propulsion system, and it attracts an increasing attention of the researchers worldwide. In this study, a typical hydrogen-fueled supersonic combustor was investigated numerically, and the predicted results were compared with the available experimental data in the open literature. Two different chemical reaction mechanisms were employed to evaluate their effects on the combustion of H2-O2, namely the two-step and the seven-step mechanisms, and the vitiation effect was analyzed by varying the H2O mass fraction. The obtained results show that the predicted mole fraction profiles for different components show very good agreement with the available experimental data under the supersonic mixing and combustion conditions, and the chemical reaction mechanism has only a slight impact on the overall performance of the turbulent diffusion combustion. The simple mechanism of H2-O2 can be employed to evaluate the performance of the combustor in order to reduce the computational cost. The H2O flow vitiation makes a great difference to the combustion of H2-O2, and there is an optimal H2O mass fraction existing to enhance the intensity of the turbulent combustion. In the range considered in this paper, its optimal value is 0.15. The initiated location of the reaction appears far away from the bottom wall with the increase of the H2O mass fraction, and the H2O flow vitiation quickens the transition from subsonic to supersonic mode at the exit of the combustor.

  14. Data Capture and Analysis Using the BBC Microcomputer--an Interfacing Project Applied to Enzyme Kinetics.

    ERIC Educational Resources Information Center

    Jones, Lawrence; Graham, Ian

    1986-01-01

    Reviews the main principles of interfacing and discusses the software developed to perform kinetic data capture and analysis with a BBC microcomputer linked to a recording spectrophotometer. Focuses on the steps in software development. Includes results of a lactate dehydrogenase assay. (ML)

  15. Coal Combustion Science

    SciTech Connect

    Hardesty, D.R.; Fletcher, T.H.; Hurt, R.H.; Baxter, L.L. )

    1991-08-01

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

  16. PROCEEDINGS OF THE STATIONARY SOURCE COMBUSTION SYMPOSIUM (3RD). VOLUME IV. FUNDAMENTAL COMBUSTION RESEARCH AND ENVIRONMENTAL ASSESSMENT

    EPA Science Inventory

    ;Contents: Fundamental combustion research--(NOx abatement in fossil fuel combustion--chemical kinetic considerations, Heterogeneous processes involved in the control of nitrogen oxide formation in fossil fuel flames, Transport processes and numerical model development--FCR progr...

  17. Combustion noise

    NASA Technical Reports Server (NTRS)

    Strahle, W. C.

    1977-01-01

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

  18. Structure and thermochemical kinetic studies of coal pyrolysis. Quarterly technical progress report, October 1--December 31, 1991

    SciTech Connect

    Dodoo, J.N.D.

    1991-12-31

    The overall objectives of this project is an intensive effort on the application of laser to the microscopic structure and thermochemical kinetic studies of coal particles pyrolysis, char combustion and ash transformation at combustion level heat fluxes in a laser beam. Research emphasis in FY91 is placed on setup and calibration of the laser pyrolysis system, preparation and mass loss studies of Beulah lignite and subbituminous coals. The task is therefore divided into three subtasks.

  19. Effects of calcium magnesium acetate on the combustion of coal-water slurries. Twelfth quarterly project status report, 1 June 1992--31 August 1992

    SciTech Connect

    Levendis, Y.A.

    1992-12-01

    The general objective of the project is to investigate the combustion behavior of single and multiple Coal-Water Fuel (CWF) particles burning at high temperature environments. Both uncatalyzed as well as catalyzed CWF drops with Calcium Magnesium Acetate (CMA)- catalyst will be studied. Emphasis will also be given in the effects of CMA on the sulfur capture during combustion. To help achieve these objectives the following project tasks were carried over this 11th three-month period. Work on three major tasks was conducted over this period: (a) We obtained a larger inventory of pyrometric and cinematographic observations on single CWF particles of micronized coal, with and without CMA, burning in various O{sub 2} Partial pressures and wall temperatures. (b) Preliminary reaction rate calculations were completed using simplified models. (c) Work has been started on optimizing and running a computer program that performs detailed calculation of reaction rates. (d) Development work on the new single drop generator has continued. (e) A new laboratory space has been prepared and assigned to this project.

  20. MERCURY IN PETROLEUM AND NATURAL GAS: ESTIMATION OF EMISSIONS FROM PRODUCTION PROCESSING, AND COMBUSTION: PROJECT REPORT/SUMMARY

    EPA Science Inventory

    NRMRL-RTP-221 Wilhelm, S.M. Mercury in Petroleum and Natural Gas: Estimation of Emissions from Production Processing, and Combustion. 07/19/2001 The report gives results of an examination of mercury (Hg) in liquid and gaseous hydrocarbons that are produced and/or processed i...

  1. Heterogeneous Combustion of Porous Graphite Particles in Microgravity

    NASA Technical Reports Server (NTRS)

    Chelliah, Harsha K.; Miller, Fletcher J.

    1997-01-01

    Recent theoretical investigations on graphite particle combustion have employed several levels of heterogeneous reaction models, ranging from global to elementary models, to describe the oxidation of carbon to gaseous products. Unlike the counterpart homogeneous reaction models, these heterogeneous reaction models are not well developed because of the difficulties associated with decoupling the physical characteristics of the solid (e.g. surface area taking part in combustion) from the chemical kinetic data. This is certainly true for porous graphite particle combustion, where heterogeneous and homogeneous reactions occur within the pores and play an important role in the overall oxidation process. As a result, there are considerable uncertainties of physical phenomena predicted using different heterogeneous kinetic models available in the literature. A good example, discussed later in this paper, is the predicted critical particle size below which the mass burning rate becomes exponentially small. The main goal of this study is to understand the basic mechanism controlling such rapid changes in burning rates, by developing a model where physical contributions are decoupled from chemical rate constants in a consistent manner. Another important goal of the proposed study is to develop a truly intrinsic, detailed heterogeneous reaction model for porous graphite combustion at high-temperatures, and to derive a systematically reduced heterogeneous reaction model in terms of the elementary reaction rate constants of the detailed model. The validation of chemical kinetic models describing the heterogeneous and homogeneous combustion in and around a spherically symmetric porous graphite particle can be considerably simplified by experimental measurements obtained under microgravity conditions. A vital component of this study is to conduct such supporting experiments on particle burning rate and surface temperature using NASA microgravity facilities, in close coordination

  2. Thermophysics Characterization of Kerosene Combustion

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See

    2001-01-01

    A one-formula surrogate fuel formulation and its quasi-global combustion kinetics model are developed to support the design of injectors and thrust chambers of kerosene-fueled rocket engines. This surrogate fuel model depicts a fuel blend that properly represents the general physical and chemical properties of kerosene. The accompanying gaseous-phase thermodynamics of the surrogate fuel is anchored with the heat of formation of kerosene and verified by comparing a series of one-dimensional rocket thrust chamber calculations. The quasi-global combustion kinetics model consists of several global steps for parent fuel decomposition, soot formation, and soot oxidation and a detailed wet-CO mechanism to complete the combustion process. The final thermophysics formulations are incorporated with a computational fluid dynamics model for prediction of the combustion efficiency of an unielement, tripropellant combustor and the radiation of a kerosene-fueled thruster plume. The model predictions agreed reasonably well with those of the tests.

  3. Combustion Engineering Integrated Gasification Combined Cycle (IGCC) Repowering Project -- Clean Coal II Project. Annual report, November 20, 1990--December 31, 1991

    SciTech Connect

    Not Available

    1993-03-01

    The IGCC system will consist of CE`s air-blown, entrained-flow, two-stage, pressurized coal gasifier; an advanced hot gas cleanup process; a combustion turbine adapted to use low-Btu coal gas; and all necessary coal handling equipment. The IGCC will include CE`s slogging, entrained-flow, gasifier operating in a pressurized mode and using air as the oxidant. The hot gas will be cleaned of particulate matter (char) which is recycled back to the gasifier. After particulate removal, the product gas will be cleaned of sulfur prior to burning in a gas turbine. The proposed project includes design and demonstration of two advanced hot gas cleanup processes for removal of sulfur from the product gas of the gasifier. The primary sulfur removal method features a newly developed moving-bed zinc ferrite system downstream of the gasifier. The process data from these pilot tests is expected to be sufficient for the design of a full-scale system to be used in the proposed demonstration. A second complementary process is in situ desulfurization achieved by adding limestone or dolomite directly to the coal feed. The benefit, should such an approach prove viable, is that the downstream cleanup system could be reduced in size. In this plant, the gasifier will be producing a low-Btu gas (LBG). The LBG will be used as fuel in a standard GE gas turbine to produce power. This gas turbine will have the capability to fire LBG and natural gas (for start-up). Since firing LBG uses less air than natural gas, the gas turbine air compressor will have extra capacity. This extra compressed air will be used to pressurize the gasifier and supply the air needed in the gasification process. The plant is made of three major blocks of equipment as shown in Figure 2. They are the fuel gas island which includes the gasifier and gas cleanup, gas turbine power block, and the steam turbine block which includes the steam turbine and the HRSG.

  4. Combustion characterization of beneficiated coal-based fuels. Quarterly report No. 12, January--March 1992

    SciTech Connect

    Chow, O.K.; Nsakala, N.Y.

    1992-08-01

    The Pittsburgh Energy Technology Center of the US Department of Energy has contracted with Combustion Engineering, Inc. (CE) to perform a five-year project on ``Combustion Characterization of Beneficiated Coal-Based Fuels.`` The beneficiated coals are produced by other contractors under the DOE Coal Preparation Program. Several contractor-developed advanced coal cleaning processes are run at pilot-scale cleaning facilities to produce 20-ton batches of fuels for shipment to CE`s laboratory in Windsor, Connecticut. CE then processes the products into either a coal-water fuel (CWF) or a dry microfine pulverized coa1 (DMPC) form for combustion testing. The objectives of this project include: (1) the development of an engineering data base which will provide detailed information on the properties of BCFs influencing combustion, ash deposition, ash erosion, particulate collection, and emissions; and (2) the application of this technical data base to predict the performance and economic impacts of firing the BCFs in various commercial boiler designs. The technical approach used to develop the technical data includes: bench-scale fuel property, combustion, and ash deposition tests; pilot-scale combustion and ash effects tests; and full-scale combustion tests. During the third quarter of 1992, the following technical progress was made: Continued analyses of drop tube furnace samples to determine devolatilization kinetics; completed editing of the fifth quarterly report and sent it to the publishing office; and prepared two technical papers for conferences.

  5. Combustion characterization of beneficiated coal-based fuels. Quarterly report No. 14, July--September 1992

    SciTech Connect

    Chow, O.K.; Nsakala, N.Y.

    1993-02-01

    The Pittsburgh Energy Technology Center of the US Department of Energy has contracted with Combustion Engineering, Inc. (CE) to perform a five-year project on ``Combustion Characterization of Beneficiated Coal-Based Fuels.`` The beneficiated coals are produced by other contractors under the DOE Coal Preparation Program. Several contractor-developed advanced coal cleaning processes are run at pilot-scale cleaning facilities to produce 20-ton batches of fuels for shipment to CE`s laboratory in Windsor, Connecticut. CE then processes the products into either a coal-water fuel (CWF) or a dry microfine pulverized coa1 (DMPC) form for combustion testing. The objectives of this project include: (1) the development of an engineering data base which will provide detailed information on the properties of BCFs influencing combustion, ash deposition, ash erosion, particulate collection, and emissions; and (2) the application of this technical data base to predict the performance and economic impacts of firing the BCFs in various commercial boiler designs. The technical approach used to develop the technical data includes: bench-scale fuel property, combustion, and ash deposition tests; pilot-scale combustion and ash effects tests; and full-scale combustion tests. During the third quarter of 1992, the following technical progress was made: Continued analyses of drop tube furnace samples to determine devolatilization kinetics; published two technical papers at conferences; and prepared for upcoming tests of new BCFs being produced.

  6. High-Efficiency Low-Dross Combustion System for Aluminum Remelting Reverberatory Furnaces, Project Final Report, July 2005

    SciTech Connect

    Soupos, V.; Zelepouga, S.; Rue, D.

    2005-06-30

    GTI, and its commercial partners, have developed a high-efficiency low-dross combustion system that offers environmental and energy efficiency benefits at lower capital costs for the secondary aluminum industry users of reverberatory furnaces. The high-efficiency low-dross combustion system, also called Self-Optimizing Combustion System (SOCS), includes the flex-flame burner firing an air or oxygen-enriched natural gas flame, a non-contact optical flame sensor, and a combustion control system. The flex-flame burner, developed and tested by GTI, provides an innovative firing process in which the flame shape and velocity can be controlled. The burner produces a flame that keeps oxygen away from the bath surface by including an O2-enriched fuel-rich zone on the bottom and an air-fired fuel-lean zone on the top. Flame shape and velocity can be changed at constant firing rate or held constant over a range of firing conditions. A non-intrusive optical sensor is used to monitor the flame at all times. Information from the optical sensor(s) and thermocouples can be used to control the flow of natural gas, air, and oxygen to the burner as needed to maintain desired flame characteristics. This type of control is particularly important to keep oxygen away from the melt surface and thus reduce dross formation. This retrofit technology decreases fuel usage, increases furnace production rate, lowers gaseous emissions, and reduces dross formation. The highest priority research need listed under Recycled Materials is to turn aluminum process waste into usable materials which this technology accomplishes directly by decreasing dross formation and therefore increasing aluminum yield from a gas-fired reverberatory furnace. Emissions of NOx will be reduced to approximately 0.3 lb/ton of aluminum, in compliance with air emission regulations.

  7. TOXIC SUBSTANCES FROM COAL COMBUSTION

    SciTech Connect

    A KOLKER; AF SAROFIM; CL SENIOR; FE HUGGINS; GP HUFFMAN; I OLMEZ; J LIGHTY; JOL WENDT; JOSEPH J HELBLE; MR AMES; N YAP; R FINKELMAN; T PANAGIOTOU; W SEAMES

    1998-12-08

    The Clean Air Act Amendments of 1990 identify a number of hazardous air pollutants (HAPs) as candidates for regulation. Should regulations be imposed on HAP emissions from coal-fired power plants, a sound understanding of the fundamental principles controlling the formation and partitioning of toxic species during coal combustion will be needed. With support from the Federal Energy Technology Center (FETC), the Electric Power Research Institute, the Lignite Research Council, and VTT (Finland), Physical Sciences Inc. (PSI) has teamed with researchers from USGS, MIT, the University of Arizona (UA), the University of Kentucky (UK), the University of Connecticut (UC), the University of Utah (UU) and the University of North Dakota Energy and Environmental Research Center (EERC) to develop a broadly applicable emissions model useful to regulators and utility planners. The new Toxics Partitioning Engineering Model (ToPEM) will be applicable to all combustion conditions including new fuels and coal blends, low-NO combustion systems, and new power generation x plants. Development of ToPEM will be based on PSI's existing Engineering Model for Ash Formation (EMAF). This report covers the reporting period from 1 July 1998 through 30 September 1998. During this period distribution of all three Phase II coals was completed. Standard analyses for the whole coal samples were also completed. Mössbauer analysis of all project coals and fractions received to date has been completed in order to obtain details of the iron mineralogy. The analyses of arsenic XAFS data for two of the project coals and for some high arsenic coals have been completed. Duplicate splits of the Ohio 5,6,7 and North Dakota lignite samples were taken through all four steps of the selective leaching procedure. Leaching analysis of the Wyodak coal has recently commenced. Preparation of polished coal/epoxy pellets for probe/SEM studies is underway. Some exploratory mercury LIII XAFS work was carried

  8. Combustion Technology Outreach

    NASA Technical Reports Server (NTRS)

    1995-01-01

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

  9. Combustion at reduced gravitational conditions

    NASA Technical Reports Server (NTRS)

    Berlad, A. L.; Wang, L. S.; Joshi, N.; Pai, C. I.

    1980-01-01

    The theoretical structures needed for the predictive analyses and interpretations for flame propagation and extinction for clouds of porous particulates are presented. Related combustion theories of significance to reduced gravitational studies of combustible media are presented. Nonadiabatic boundaries are required for both autoignition theory and for extinction theory. Processes that were considered include, pyrolysis and vaporization of particulates, heterogeneous and homogeneous chemical kinetics, molecular transport of heat and mass, radiative coupling of the medium to its environment, and radiative coupling among particles and volume elements of the combustible medium.

  10. Experimental and Modeling Studies of the Characteristics of Liquid Biofuels for Enhanced Combustion

    SciTech Connect

    Meeks, E.; Modak, A. U.; Naik, C. V.; Puduppakkam, K. V.; Westbrook, C.; Egolfopoulos, F. N.; Tsotsis, T.; Roby, S. H.

    2009-07-01

    The objectives of this project have been to develop a comprehensive set of fundamental data regarding the combustion behavior of biodiesel fuels and appropriately associated model fuels that may represent biodiesels in automotive engineering simulation. Based on the fundamental study results, an auxiliary objective was to identify differentiating characteristics of molecular fuel components that can be used to explain different fuel behavior and that may ultimately be used in the planning and design of optimal fuel-production processes. The fuels studied in this project were BQ-9000 certified biodiesel fuels that are certified for use in automotive engine applications. Prior to this project, there were no systematic experimental flame data available for such fuels. One of the key goals has been to generate such data, and to use this data in developing and verifying effective kinetic models. The models have then been reduced through automated means to enable multi-dimensional simulation of the combustion characteristics of such fuels in reciprocating engines. Such reliable kinetics models, validated against fundamental data derived from laminar flames using idealized flow models, are key to the development and design of optimal engines, engine operation and fuels. The models provide direct information about the relative contribution of different molecular constituents to the fuel performance and can be used to assess both combustion and emissions characteristics. During this project, we completed a major and thorough validation of a set of biodiesel surrogate components, allowing us to begin to evaluate the fundamental combustion characteristics for B100 fuels.

  11. Simulating Combustion

    NASA Astrophysics Data System (ADS)

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

    The content spans from simple thermodynamics of the combustion engine to complex models for the description of the air/fuel mixture, ignition, combustion and pollutant formation considering the engine periphery of petrol and diesel engines. Thus the emphasis of the book is on the simulation models and how they are applicable for the development of modern combustion engines. Computers can be used as the engineers testbench following the rules and recommendations described here.

  12. Environmentally conscious coal combustion

    SciTech Connect

    Hickmott, D.D.; Brown, L.F.; Currier, R.P.

    1997-08-01

    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.

  13. Determination of Kinetic and Thermodynamic Parameters that Describe Isothermal Seed Germination: A Student Research Project.

    ERIC Educational Resources Information Center

    Hageseth, Gaylord T.

    1982-01-01

    Describes a project for students to collect and fit data to a theoretical mathematical model that describes the rate of isothermal seed germination, including activation energy for substrate and produce and the autocatalytic reaction, and changes in enthalpy, entropy, and the Gibb's free energy. (Author/SK)

  14. The Diesel Combustion Collaboratory: Combustion Researchers Collaborating over the Internet

    SciTech Connect

    C. M. Pancerella; L. A. Rahn; C. Yang

    2000-02-01

    The Diesel Combustion Collaborator (DCC) is a pilot project to develop and deploy collaborative technologies to combustion researchers distributed throughout the DOE national laboratories, academia, and industry. The result is a problem-solving environment for combustion research. Researchers collaborate over the Internet using DCC tools, which include: a distributed execution management system for running combustion models on widely distributed computers, including supercomputers; web-accessible data archiving capabilities for sharing graphical experimental or modeling data; electronic notebooks and shared workspaces for facilitating collaboration; visualization of combustion data; and video-conferencing and data-conferencing among researchers at remote sites. Security is a key aspect of the collaborative tools. In many cases, the authors have integrated these tools to allow data, including large combustion data sets, to flow seamlessly, for example, from modeling tools to data archives. In this paper the authors describe the work of a larger collaborative effort to design, implement and deploy the DCC.

  15. A model for premixed combustion oscillations

    SciTech Connect

    Janus, M.C.; Richards, G.A.

    1996-09-01

    This paper describes a simulation based on a time dependent, nonlinear control volume analysis. The combustion is modeled as a well-stirred reactor having finite kinetics. Flow properties and species in the nozzle, combustion, and tailpipe regions are determined using a control volume formulation of the conservation equation.

  16. EMISSIONS ASSESSMENT OF CONVENTIONAL STATIONARY COMBUSTION SYSTEMS: VOLUME IV. COMMERCIAL/INSTITUTIONAL COMBUSTION SOURCES

    EPA Science Inventory

    The report characterizes air emissions from commercial/institutional external combustion sources and reciprocating engines and is the fourth of a series of five project reports characterizing emissions from conventional combustion sources. This characterization was based on a cri...

  17. Combustion technologies

    SciTech Connect

    Barsin, J.A.

    1994-12-31

    The presentation will cover the highlights of sludge, providing information as to where it comes from, projection of how much more is expected, what is sludge, what can be done with them, and finally focus in one combustion technology that can be utilized and applied to recycle sludge. The author is with Gotaverken Energy Systems Inc. where for the past 100 years they have been involved in the recovery of chemicals in chemical pulp mills. One week ago, our name was changed to Kvaerner Pulping Inc. to better reflect our present make-up which is a combination of Kamyr AB (suppliers of proprietary highly engineered totally chlorine free chemical pulp manufacturing systems, including digesters, O{sub 2} delignification systems, and bleach plant systems) and Goetaverken. Sludges that we are concerned with derive from several sources within chemical pulp mills such as: such as primary clarifier sludges, secondary clarifier sludges, and most recently those sludges derived from post consumer paper and board recycle efforts including de-inking and those from the thermal mechanical pulping processes. These sludges have been classified as non-hazardous therefore, residue can be landfilled, but the volumes involved are growing at an alarming rate.

  18. Sandia Combustion Research Program

    SciTech Connect

    Johnston, S.C.; Palmer, R.E.; Montana, C.A.

    1988-01-01

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

  19. Manifold methods for methane combustion

    SciTech Connect

    Yang, B.; Pope, S.B.

    1995-10-01

    Great progresses have been made in combustion research, especially, the computation of laminar flames and the probability density function (PDF) method in turbulent combustion. For one-dimensional laminar flames, by considering the transport mechanism, the detailed chemical kinetic mechanism and the interactions between these two basic processes, today it is a routine matter to calculate flame velocities, extinction, ignition, temperature, and species distributions from the governing equations. Results are in good agreement with those obtained for experiments. However, for turbulent combustion, because of the complexities of turbulent flow, chemical reactions, and the interaction between them, in the foreseeable future, it is impossible to calculate the combustion flow field by directly integrating the basic governing equations. So averaging and modeling are necessary in turbulent combustion studies. Averaging, on one hand, simplifies turbulent combustion calculations, on the other hand, it introduces the infamous closure problems, especially the closure problem with chemical reaction terms. Since in PDF calculations of turbulent combustion, the averages of the chemical reaction terms can be calculated, PDF methods overcome the closure problem with the reaction terms. It has been shown that the PDF method is a most promising method to calculate turbulent combustion. PDF methods have been successfully employed to calculate laboratory turbulent flames: they can predict phenomena such as super equilibrium radical levels, and local extinction. Because of these advantages, PDF methods are becoming used increasingly in industry combustor codes.

  20. Microgravity Combustion Diagnostics Workshop

    NASA Technical Reports Server (NTRS)

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

    1988-01-01

    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.

  1. Major research topics in combustion

    SciTech Connect

    Hussaini, M.Y.; Kumar, A.; Voigt, R.G.

    1992-01-01

    The Institute for Computer Applications in Science and Engineering (ICASE) and NASA Langley Research Center (LaRC) hosted a workshop on October 2--4, 1989 to discuss some combustion problems of technological interest to LaRC and to foster interaction with the academic community in these research areas. The topics chosen for this purpose were flame structure, flame holding/extinction, chemical kinetics, turbulence-kinetics interaction, transition to detonation, and reacting free shear layers. This document contains the papers and edited versions of general discussions on these topics. The lead paper set the stage for the meeting by discussing the status and issues of supersonic combustion relevant to the scramjet engine. Experts were then called upon to review the current knowledge in the aforementioned areas, to focus on how this knowledge can be extended and applied to high-speed combustion, and to suggest future directions of research in these areas.

  2. FUNDAMENTAL INVESTIGATION OF FUEL TRANSFORMATIONS IN PULVERIZED COAL COMBUSTION AND GASIFICATION TECHNOLOGIES

    SciTech Connect

    Robert Hurt; Joseph Calo; Thomas H. Fletcher; Alan Sayre

    2005-04-29

    The goal of this project was to carry out the necessary experiments and analyses to extend current capabilities for modeling fuel transformations to the new conditions anticipated in next-generation coal-based, fuel-flexible combustion and gasification processes. This multi-organization, multi-investigator project has produced data, correlations, and submodels that extend present capabilities in pressure, temperature, and fuel type. The combined experimental and theoretical/computational results are documented in detail in Chapters 1-8 of this report, with Chapter 9 serving as a brief summary of the main conclusions. Chapters 1-3 deal with the effect of elevated pressure on devolatilization, char formation, and char properties. Chapters 4 and 5 deal with advanced combustion kinetic models needed to cover the extended ranges of pressure and temperature expected in next-generation furnaces. Chapter 6 deals with the extension of kinetic data to a variety of alternative solid fuels. Chapter 7 focuses on the kinetics of gasification (rather than combustion) at elevated pressure. Finally, Chapter 8 describes the integration, testing, and use of new fuel transformation submodels into a comprehensive CFD framework. Overall, the effects of elevated pressure, temperature, heating rate, and alternative fuel use are all complex and much more work could be further undertaken in this area. Nevertheless, the current project with its new data, correlations, and computer models provides a much improved basis for model-based design of next generation systems operating under these new conditions.

  3. Study of the H + O + M reaction forming OH{sup *}: Kinetics of OH{sup *} chemiluminescence in hydrogen combustion systems

    SciTech Connect

    Kathrotia, T.; Riedel, U.; Fikri, M.; Bozkurt, M.; Hartmann, M.; Schulz, C.

    2010-07-15

    The temporal variation of OH{sup *} (A{sup 2}{sigma}{sup +}) chemiluminescence in hydrogen oxidation chemistry has been studied in a shock tube behind reflected shock waves at temperatures of 1400-3300 K and at a pressure of 1 bar. The aim of the present work is to obtain a validated reaction scheme to describe OH{sup *} formation in the H{sub 2}/O{sub 2} system. Temporal OH{sup *} emission profiles and ignition delay times for lean and stoichiometric H{sub 2}/O{sub 2} mixtures diluted in 97-98% argon were obtained from the shock-tube experiments. Based on a literature review for the hydrogen combustion system, the key reaction considered was H + O + M = OH{sup *} + M. The temperature dependence of the measured peak OH{sup *} emission from the shock tube and the peak OH{sup *} concentration from a homogeneous closed reactor model are compared. Based on these results a reaction rate coefficient of k{sub 1} = (1.5 {+-} 0.4) x 10{sup 13} exp(-25 kJ mol{sup -1}/RT) cm{sup 6} mol{sup -2} s{sup -1} was found for the forward reaction which is slightly higher than the rate coefficient suggested by Hidaka et al. (1982). The comparison of measured and simulated absolute concentrations shows good agreement. Additionally, a one-dimensional laminar premixed low-pressure flame calculation was performed for where absolute OH{sup *} concentration measurements have been reported by Smith et al. (2005). The absolute peak OH{sup *} concentration is fairly well reproduced if the above mentioned rate coefficient is used in the simulation. (author)

  4. Combustion detector

    NASA Technical Reports Server (NTRS)

    Trimpi, R. L.; Nealy, J. E.; Grose, W. L. (Inventor)

    1973-01-01

    A device has been developed for generating a rapid response signal upon the radiation-emitting combustion reaction of certain gases in order to provide a means for the detection and identification of such reaction and concurrently discriminate against spurious signals. This combustion might be the first stage of a coal mine explosion process, and thereby this device could provide a warning of the impending explosion in time to initiate quenching action. This device has the capability of distinguishing between the light emitted from a combustion reaction and the light emitted by miners' lamps, electric lamps, welding sparks or other spurious events so that the quenching mechanism is triggered only when an explosion-initiating combustion occurs.

  5. The combustion chemistry of a fuel tracer: Measured flame speeds and ignition delays and a detailed chemical kinetic model for the oxidation of acetone

    SciTech Connect

    Pichon, S.; Black, G.; Simmie, J.M.; Curran, H.J.; Chaumeix, N.; Yahyaoui, M.; Donohue, R.

    2009-02-15

    Acetone ignition delay and stretch-free laminar flame speed measurements have been carried out and a kinetic model has been developed to simulate these and literature data for acetone and for ketene, which was found to be an important intermediate in its oxidation. The mechanism has been based on one originally devised for dimethyl ether and modified through validation of the hydrogen, carbon monoxide and methane sub-mechanisms. Acetone oxidation in argon was studied behind reflected shock waves in the temperature range 1340-1930 K, at 1 atm and at equivalence ratios of 0.5, 1 and 2; it is also shown that the addition of up to 15% acetone to a stoichiometric n-heptane mixture has no effect on the measured ignition delay times. Flame speeds at 298 K and 1 atm of pure acetone in air were measured in a spherical bomb; a maximum flame speed of {proportional_to}35 cm s{sup -1} at {phi}=1.15 is indicated. (author)

  6. Method for in situ combustion

    DOEpatents

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

    1977-01-01

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

  7. Combustion physics

    NASA Astrophysics Data System (ADS)

    Jones, A. R.

    1985-11-01

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

  8. Characteristics of non-premixed oxygen-enhanced combustion: II. Flame structure effects on soot precursor kinetics resulting in soot-free flames

    SciTech Connect

    Skeen, S.A.; Axelbaum, R.L.; Yablonsky, G.

    2010-09-15

    A detailed computational study was performed to understand the effects of the flame structure on the formation and destruction of soot precursors during ethylene combustion. Using the USC Mech Version II mechanism the contributions of different pathways to the formation of benzene and phenyl were determined in a wide domain of Z{sub st} values via a reverse-pathway analysis. It was shown that for conventional ethylene-air flames two sequential reversible reactions play primary roles in the propargyl (C{sub 3}H{sub 3}) chemistry, namely (1) C{sub 2}H{sub 2}+CH{sub 3}= pC{sub 3} H{sub 4}+H, (2) pC{sub 3} H{sub 4}= C{sub 3} H{sub 3}+ H with the corresponding overall endothermic reaction of propargyl formation (3) C{sub 2} H{sub 2}+CH{sub 3}= C{sub 3} H{sub 3}+2H. The contributions of these reactions to propyne (pC{sub 3}H{sub 4}) and propargyl formation and propargyl self-combination leading to benzene and phenyl were studied as a function of physical position, temperature, Z{sub st}, and H concentration. In particular, the role of H radicals on soot precursor destruction was studied in detail. At low Z{sub st}, Reactions 1 and 2 contribute significantly to propyne and propargyl formation on the fuel side of the radical pool at temperatures greater than approx. 1600 K. At higher local temperatures near the radical pool where the concentration of H is significant, the reverse reactions begin to dominate resulting in soot precursor destruction. As Z{sub st} is increased, these regions merge and only net propargyl consumption is observed. Based on the equilibrium constant of Reaction 3, a Z{sub st} value was estimated above which the rate of propargyl formation as a soot precursor is greatly reduced (Z{sub st} = 0.3). This condition compares well with the experimental results for permanently blue counterflow flames in the literature. (author)

  9. Projections of air toxic emissions from coal-fired utility combustion: Input for hazardous air pollutant regulators

    SciTech Connect

    Szpunar, C.B.

    1993-08-01

    The US Environmental Protection Agency (EPA) is required by the 1990 CAAA to promulgate rules for all ``major`` sources of any of these HAPs. According to the HAPs section of the new Title III, any stationary source emitting 10 tons per year (TPY) of one HAP or 25 TPY of a combination of HAPs will be considered and designated a major source. In contrast to the original National Emission Standards for Hazardous Air Pollutants (NESHAP), which were designed to protect public health to ``an ample margin of safety,`` the new Title III, in its first phase, will regulate by industrial category those sources emitting HAPs in excess of the 10/25-TPY threshold levels, regardless of health risks. The trace elements normally associated with coal mineral matter and the various compounds formed during coal combustion have the potential to produce hazardous air toxic emissions from coal-fired electric utilities. Under Title III, the EPA is required to perform certain studies, prior to any regulation of electric utilities; these studies are currently underway. Also, the US Department of Energy (DOE) maintains a vested interest in addressing those energy policy questions affecting electric utility generation, coal mining, and steel producing critical to this country`s economic well-being, where balancing the costs to the producers and users of energy with the benefits of environmental protection to the workers and the general populace remains of significant concern.

  10. Spherical combustion clouds in explosions

    NASA Astrophysics Data System (ADS)

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

    2013-05-01

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

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

    NASA Technical Reports Server (NTRS)

    1985-01-01

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

  12. Survey of Hydrogen Combustion Properties

    NASA Technical Reports Server (NTRS)

    Drell, Isadore L; Belles, Frank E

    1958-01-01

    This literature digest of hydrogen-air combustion fundamentals presents data on flame temperature, burning velocity, quenching distance, flammability limits, ignition energy, flame stability, detonation, spontaneous ignition, and explosion limits. The data are assessed, recommended values are given, and relations among various combustion properties are discussed. New material presented includes: theoretical treatment of variation in spontaneous ignition lag with temperature, pressure, and composition, based on reaction kinetics of hydrogen-air composition range for 0.01 to 100 atmospheres and initial temperatures of 0 degrees to 1400 degrees k.

  13. Biofuels combustion*

    DOE PAGESBeta

    Westbrook, Charles K.

    2013-01-04

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

  14. Biofuels Combustion

    NASA Astrophysics Data System (ADS)

    Westbrook, Charles K.

    2013-04-01

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

  15. Biofuels combustion*

    SciTech Connect

    Westbrook, Charles K.

    2013-01-04

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

  16. STRUCTURE-BASED PREDICTIVE MODEL FOR COAL CHAR COMBUSTION

    SciTech Connect

    CHRISTOPHER M. HADAD; JOSEPH M. CALO; ROBERT H. ESSENHIGH; ROBERT H. HURT

    1998-09-11

    Progress was made this period on a number of tasks. A significant advance was made in the incorporation of macrostructural ideas into high temperature combustion models. Work at OSU by R. Essenhigh in collaboration with the University of Stuttgart has led to a theory that the zone I / II transition in char combustion lies within the range of conditions of interest for pulverized char combustion. The group has presented evidence that some combustion data, previously interpreted with zone II models, in fact takes place in the transition from zone II to zone 1. This idea was used at Brown to make modifications to the CBK model (a char kinetics package specially designed for carbon burnout prediction, currently used by a number of research and furnace modeling groups in academia and industry). The resulting new model version, CBK8, shows improved ability to predict extinction behavior in the late stages of combustion, especially for particles with low ash content. The full development and release of CBK8, along with detailed descriptions of the role of the zone 1/2 transition will be reported on in subsequent reports. ABB-CE is currently implementing CBK7 into a special version of the CFD code Fluent for use in the modeling and design of their boilers. They have been appraised of the development, and have expressed interest in incorporating the new feature, realizing full CBK8 capabilities into their combustion codes. The computational chemistry task at OSU continued to study oxidative pathways for PAH, with emphasis this period on heteroatom containing ring compounds. Preliminary XPS studies were also carried out. Combustion experiments were also carried out at OSU this period, leading to the acquisition of samples at various residence times and the measurement of their oxidation reactivity by nonisothermal TGA techniques. Several members of the project team attended the Carbon Conference this period and made contacts with representatives from the new FETC Consortium

  17. Final report on the project entitled: Highly Preheated Combustion Air System with/without Oxygen Enrichment for Metal Processing Furnaces

    SciTech Connect

    Arvind Atreya

    2007-02-16

    This work develops and demonstrates a laboratory-scale high temperature natural gas furnace that can operate with/without oxygen enrichment to significantly improve energy efficiency and reduce emissions. The laboratory-scale is 5ft in diameter & 8ft tall. This furnace was constructed and tested. This report demonstrates the efficiency and pollutant prevention capabilities of this test furnace. The project also developed optical detection technology to control the furnace output.

  18. Control Strategies for HCCI Mixed-Mode Combustion

    SciTech Connect

    Wagner, Robert M; Edwards, Kevin Dean

    2010-03-01

    Delphi Automotive Systems and ORNL established this CRADA to expand the operational range of Homogenous Charge Compression Ignition (HCCI) mixed-mode combustion for gasoline en-gines. ORNL has extensive experience in the analysis, interpretation, and control of dynamic engine phenomena, and Delphi has extensive knowledge and experience in powertrain compo-nents and subsystems. The partnership of these knowledge bases was important to address criti-cal barriers associated with the realistic implementation of HCCI and enabling clean, efficient operation for the next generation of transportation engines. The foundation of this CRADA was established through the analysis of spark-assisted HCCI data from a single-cylinder research engine. This data was used to (1) establish a conceptual kinetic model to better understand and predict the development of combustion instabilities, (2) develop a low-order model framework suitable for real-time controls, and (3) provide guidance in the initial definition of engine valve strategies for achieving HCCI operation. The next phase focused on the development of a new combustion metric for real-time characterization of the combustion process. Rapid feedback on the state of the combustion process is critical to high-speed decision making for predictive control. Simultaneous to the modeling/analysis studies, Delphi was focused on the development of engine hardware and the engine management system. This included custom Delphi hardware and control systems allowing for flexible control of the valvetrain sys-tem to enable HCCI operation. The final phase of this CRADA included the demonstration of conventional and spark assisted HCCI on the multi-cylinder engine as well as the characterization of combustion instabilities, which govern the operational boundaries of this mode of combustion. ORNL and Delphi maintained strong collaboration throughout this project. Meetings were held on a bi-weekly basis with additional reports, presentation, and

  19. THERMOCHEMISTRY AND KINETICS OF SULFUR CONTAINING MOLECULES AND RADICALS

    EPA Science Inventory

    The relevant thermochemistry of sulfur oxides is discussed, and selected 'best' thermochemical values for use in kinetic systems are presented. Although the kinetics of air pollution and combustion involve mostly homogeneous gas phase reactions, the data taken from condensed phas...

  20. Droplet Combustion Experiment (DCE)

    NASA Technical Reports Server (NTRS)

    Haggard, John B., Jr.; Nayagan, Vedha; Dryer, Frederick L.; Williams, Forman A.

    1998-01-01

    The first space-based experiments were performed on the combustion of free, individual liquid fuel droplets in oxidizing atmospheres. The fuel was heptane, with initial droplet diameters ranging about from 1 mm to 4 mm. The atmospheres were mixtures of helium and oxygen, at pressures of 1.00, 0.50 and 0.25 bar, with oxygen mole fractions between 20% and 40%, as well as normal Spacelab cabin air. The temperatures of the atmospheres and of the initial liquid fuel were nominally 300 K. A total of 44 droplets were burned successfully on the two flights, 8 on the shortened STS-83 mission and 36 on STS-94. The results spanned the full range of heptane droplet combustion behavior, from radiative flame extinction at larger droplet diameters in the more dilute atmospheres to diffusive extinction in the less dilute atmospheres, with the droplet disappearing prior to flame extinction at the highest oxygen concentrations. Quasisteady histories of droplet diameters were observed along with unsteady histories of flame diameters. New and detailed information was obtained on burning rates, flame characteristics and soot behavior. The results have motivated new computational and theoretical investigations of droplet combustion, improving knowledge of the chemical kinetics, fluid mechanics and heat and mass transfer processes involved in burning liquid fuels.

  1. Combustion characterization of beneficiated coal-based fuels. Quarterly report No. 8, January--March 1991

    SciTech Connect

    Chow, O.K.; Nsakala, N.Y.

    1991-07-01

    The Pittsburgh Energy Technology Center of the US Department of Energy has contracted with Combustion Engineering, Inc. (CE) to perform a five-year project on ``Combustion Characterization of Beneficiated Coal-Based Fuels.`` The beneficiated coals are produced by other contractors under the DOE Coal Preparation Program. Several contractor-developed advanced coal cleaning processes are run at pilot-scale cleaning facilities to produce 20-ton batches of fuels for shipment to CE`s laboratory in Windsor, Connecticut. CE then processes the products into either a coal-water fuel (CWF) or a dry microfine pulverized coa1 (DMPC) form for combustion testing. The objectives of this project include: (1) the development of an engineering data base which will provide detailed information on the properties of BCFs influencing combustion, ash deposition, ash erosion, particulate collection, and emissions; and (2) the application of this technical data base to predict the performance and economic impacts of firing the BCFs in various commercial boiler designs. During the third quarter of 1991, the following technical progress was made: Calculated the kinetic characteristics of chars from the combustion of spherical oil agglomeration beneficiated products; continued drop tube devolatilization tests of the spherical oil agglomeration beneficiated products; continued analyses of the data and samples from the CE pilot-scale tests of nine fuels; and started writing a summary topical report to include all results on the nine fuels tested.

  2. Spray combustion stability

    NASA Technical Reports Server (NTRS)

    Liang, Pak-Yan; Jeng, S. M.; Litchford, Ronald

    1995-01-01

    The central purpose of this project is the improvement of liquid-fueled rocket motor design technology in order to assist the establishment of economical commercial access to space through the development of engines with enhanced performance and reliability. Specific research effort in the project is focused on spray physics and associated combustion instability phenomena. Results garnered from this work will contribute to the development of new computational tools for design of stable liquid propellant rocket engines. The specific objectives of the research effort include identifying and evaluating physical submodels which pertain to spray combustion stability with the idea of enhancing or refining existing submodels with a more comprehensive approach. In particular, any refinements to the spray combustion physical submodels which are achieved during the project will be channeled back to Rocketdyne for incorporation in their ARICC liquid rocket combustor code as second generation improvements. Also, as the ARICC code forms the basis or future CFD development, some effort is devoted to an evaluation of the code's capability for modeling oscillating pressure waves within the combustor.

  3. Turbulent combustion

    SciTech Connect

    Talbot, L.; Cheng, R.K.

    1993-12-01

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

  4. Advanced Control Methodology for Biomass Combustion

    NASA Astrophysics Data System (ADS)

    Bjornsson, Stefan

    This thesis presents a feasibility study for a low cost sensor-based combustion control system using a predictive chemical kinetic model that captures efficiencies and pollution emissions during biomass combustion. Low cost sensor module was developed, the sensors were calibrated to measure carbon monoxide and particulate matter (PM) in combustion exhaust. Major combustion species in the exhaust of a commercial biomass furnace, operating with white oak, were measured. The species concentrations were measured using the low cost sensors and commercially available diagnostics. The low cost sensor outputs compare well with the reference instruments and the sensors can be employed to measure varying concentration of CO and particulate matter in combustion exhaust. A predictive chemical kinetic model was generated to simulate biomass processes. The model uses a four element chemical reactor network (CRN) and successfully simulates smoldering, ignition and flaming combustion events. The model agrees with concentration of CO and particulate matter from experiments. The sensors and CRN model can be integrated in a control system for biomass combustion that can potentially improve combustion efficiency and reduce emissions of particulate matter, CO and unburned hydrocarbons that have been linked to urban and rural air pollution resulting in adverse health effects.

  5. NASA Glenn's Advanced Subsonic Combustion Rig Supported the Ultra-Efficient Engine Technology Project's Emissions Reduction Test

    NASA Technical Reports Server (NTRS)

    Beltran, Luis R.

    2004-01-01

    The Advanced Subsonic Combustor Rig (ASCR) is NASA Glenn Research Center's unique high-pressure, high-temperature combustor facility supporting the emissions reduction element of the Ultra-Efficient Engine Technology (UEET) Project. The facility can simulate combustor inlet test conditions up to a pressure of 900 psig and a temperature of 1200 F (non-vitiated). ASCR completed three sector tests in fiscal year 2003 for General Electric, Pratt & Whitney, and Rolls-Royce North America. This will provide NASA and U.S. engine manufacturers the information necessary to develop future low-emission combustors and will help them to better understand durability and operability at these high pressures and temperatures.

  6. Computer-Aided Construction of Chemical Kinetic Models

    SciTech Connect

    Green, William H.

    2014-12-31

    The combustion chemistry of even simple fuels can be extremely complex, involving hundreds or thousands of kinetically significant species. The most reasonable way to deal with this complexity is to use a computer not only to numerically solve the kinetic model, but also to construct the kinetic model in the first place. Because these large models contain so many numerical parameters (e.g. rate coefficients, thermochemistry) one never has sufficient data to uniquely determine them all experimentally. Instead one must work in “predictive” mode, using theoretical rather than experimental values for many of the numbers in the model, and as appropriate refining the most sensitive numbers through experiments. Predictive chemical kinetics is exactly what is needed for computer-aided design of combustion systems based on proposed alternative fuels, particularly for early assessment of the value and viability of proposed new fuels before those fuels are commercially available. This project was aimed at making accurate predictive chemical kinetics practical; this is a challenging goal which requires a range of science advances. The project spanned a wide range from quantum chemical calculations on individual molecules and elementary-step reactions, through the development of improved rate/thermo calculation procedures, the creation of algorithms and software for constructing and solving kinetic simulations, the invention of methods for model-reduction while maintaining error control, and finally comparisons with experiment. Many of the parameters in the models were derived from quantum chemistry calculations, and the models were compared with experimental data measured in our lab or in collaboration with others.

  7. Symposium (International) on Combustion, 19th, Technion Israel Institute of Technology, Haifa, Israel, August 8-13, 1982, Proceedings

    NASA Technical Reports Server (NTRS)

    1982-01-01

    Topics discussed are related to elementary reactions, reaction mechanisms and modeling, laminar flames, flame chemistry, turbulent reacting shear flows, turbulent premixed flames, turbulent combustion measurements, continuous combustors, detonation, detonation and explosion, heterogeneous detonation, propellant combustion, fire-ignition and thermal degradation, fire-flame spread and burning, fire-modeling, spray combustion, and droplet combustion. Coal combustion kinetics and mechanisms are considered along with coal combustion mechanisms and pyrolysis, coal combustion techniques, NOx in coal combustion, gaseous pollutants, soot and PAH, soot and inorganic pollutants, I.C. engine combustion, and ignition and extinction. Attention is given to intricate paths and simple steps in chemical kinetics and combustion, the formation of polycyclic aromatic hydrocarbons by combustion, turbulent flame structure and speed in spark ignition engines, and unresolved problems in SOx, NOx, and soot control in combustion.

  8. Experimental and Modeling Studies of the Combustion Characteristics of Conventional and Alternative Jet Fuels. Final Report

    NASA Technical Reports Server (NTRS)

    Meeks, Ellen; Naik, Chitral V.; Puduppakkam, Karthik V.; Modak, Abhijit; Egolfopoulos, Fokion N.; Tsotsis, Theo; Westbrook, Charles K.

    2011-01-01

    The objectives of this project have been to develop a comprehensive set of fundamental data regarding the combustion behavior of jet fuels and appropriately associated model fuels. Based on the fundamental study results, an auxiliary objective was to identify differentiating characteristics of molecular fuel components that can be used to explain different fuel behavior and that may ultimately be used in the planning and design of optimal fuel-production processes. The fuels studied in this project were Fischer-Tropsch (F-T) fuels and biomass-derived jet fuels that meet certain specifications of currently used jet propulsion applications. Prior to this project, there were no systematic experimental flame data available for such fuels. One of the key goals has been to generate such data, and to use this data in developing and verifying effective kinetic models. The models have then been reduced through automated means to enable multidimensional simulation of the combustion characteristics of such fuels in real combustors. Such reliable kinetic models, validated against fundamental data derived from laminar flames using idealized flow models, are key to the development and design of optimal combustors and fuels. The models provide direct information about the relative contribution of different molecular constituents to the fuel performance and can be used to assess both combustion and emissions characteristics.

  9. Demonstration of advanced combustion NO{sub X} control techniques for a wall-fired boiler. Project performance summary, Clean Coal Technology Demonstration Program

    SciTech Connect

    2001-01-01

    The project represents a landmark assessment of the potential of low-NO{sub x} burners, advanced overtire air, and neural-network control systems to reduce NO{sub x} emissions within the bounds of acceptable dry-bottom, wall-fired boiler performance. Such boilers were targeted under the Clean Air Act Amendments of 1990 (CAAA). Testing provided valuable input to the Environmental Protection Agency ruling issued in March 1994, which set NO{sub x} emission limits for ''Group 1'' wall-fired boilers at 0.5 lb/10{sup 6} Btu to be met by January 1996. The resultant comprehensive database served to assist utilities in effectively implementing CAAA compliance. The project is part of the U.S. Department of Energy's Clean Coal Technology Demonstration Program established to address energy and environmental concerns related to coal use. Five nationally competed solicitations sought cost-shared partnerships with industry to accelerate commercialization of the most advanced coal-based power generation and pollution control technologies. The Program, valued at over $5 billion, has leveraged federal funding twofold through the resultant partnerships encompassing utilities, technology developers, state governments, and research organizations. This project was one of 16 selected in May 1988 from 55 proposals submitted in response to the Program's second solicitation. Southern Company Services, Inc. (SCS) conducted a comprehensive evaluation of the effects of Foster Wheeler Energy Corporation's (FWEC) advanced overfire air (AOFA), low-NO{sub x} burners (LNB), and LNB/AOFA on wall-fired boiler NO{sub x} emissions and other combustion parameters. SCS also evaluated the effectiveness of an advanced on-line optimization system, the Generic NO{sub x} Control Intelligent System (GNOCIS). Over a six-year period, SCS carried out testing at Georgia Power Company's 500-MWe Plant Hammond Unit 4 in Coosa, Georgia. Tests proceeded in a logical sequence using rigorous statistical analyses to

  10. Thermophysics Characterization of Kerosene Combustion

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See

    2000-01-01

    A one-formula surrogate fuel formulation and its quasi-global combustion kinetics model are developed to support the design of injectors and thrust chambers of kerosene-fueled rocket engines. This surrogate fuel model depicts a fuel blend that properly represents the general physical and chemical properties of kerosene. The accompanying gaseous-phase thermodynamics of the surrogate fuel is anchored with the heat of formation of kerosene and verified by comparing a series of one-dimensional rocket thrust chamber calculations. The quasi-global combustion kinetics model consists of several global steps for parent fuel decomposition, soot formation, and soot oxidation, and a detailed wet-CO mechanism. The final thermophysics formulations are incorporated with a computational fluid dynamics model for prediction of the combustor efficiency of an uni-element, tri-propellant combustor and the radiation of a kerosene-fueled thruster plume. The model predictions agreed reasonably well with those of the tests.