WorldWideScience

Sample records for combustion chemistry activities

  1. Combustion chemistry - activities in the CHEK research programme

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-10-01

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

  2. Combustion chemistry. Activities in the CHEC research programme

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-12-01

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

  3. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  4. Alcohol combustion chemistry

    KAUST Repository

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

    2014-01-01

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

  5. Alcohol combustion chemistry

    KAUST Repository

    Sarathy, Mani

    2014-10-01

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

  6. Sulfur Chemistry in Combustion I

    DEFF Research Database (Denmark)

    Johnsson, Jan Erik; Glarborg, Peter

    2000-01-01

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

  7. Modeling nitrogen chemistry in combustion

    DEFF Research Database (Denmark)

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

    2018-01-01

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

  8. Sulfur Chemistry in Combustion II

    DEFF Research Database (Denmark)

    Johnsson, Jan Erik; Kiil, Søren

    2000-01-01

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

  9. Ab initio quantum chemistry for combustion

    International Nuclear Information System (INIS)

    Page, M.; Lengsfield, B.H.

    1991-01-01

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

  10. Chemistry and radiation in oxy-fuel combustion

    DEFF Research Database (Denmark)

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

    2011-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-12-31

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

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

    CERN Document Server

    Liberman, Michael A

    2008-01-01

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

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

    DEFF Research Database (Denmark)

    Løj, Lusi Hindiyarti

    2007-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-24

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

  15. Ash chemistry and behavior in advanced co-combustion

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-10-01

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

  16. Novel Active Combustion Control Valve

    Science.gov (United States)

    Caspermeyer, Matt

    2014-01-01

    This project presents an innovative solution for active combustion control. Relative to the state of the art, this concept provides frequency modulation (greater than 1,000 Hz) in combination with high-amplitude modulation (in excess of 30 percent flow) and can be adapted to a large range of fuel injector sizes. Existing valves often have low flow modulation strength. To achieve higher flow modulation requires excessively large valves or too much electrical power to be practical. This active combustion control valve (ACCV) has high-frequency and -amplitude modulation, consumes low electrical power, is closely coupled with the fuel injector for modulation strength, and is practical in size and weight. By mitigating combustion instabilities at higher frequencies than have been previously achieved (approximately 1,000 Hz), this new technology enables gas turbines to run at operating points that produce lower emissions and higher performance.

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

    National Research Council Canada - National Science Library

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

    2007-01-01

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

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

    Science.gov (United States)

    Abdul Sater, Hassan A.

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

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

    International Nuclear Information System (INIS)

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

    2009-01-01

    In parallel calculations of combustion processes with realistic chemistry, the serial in situ adaptive tabulation (ISAT) algorithm [S.B. Pope, Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation, Combustion Theory and Modelling, 1 (1997) 41-63; L. Lu, S.B. Pope, An improved algorithm for in situ adaptive tabulation, Journal of Computational Physics 228 (2009) 361-386] substantially speeds up the chemistry calculations on each processor. To improve the parallel efficiency of large ensembles of such calculations in parallel computations, in this work, the ISAT algorithm is extended to the multi-processor environment, with the aim of minimizing the wall clock time required for the whole ensemble. Parallel ISAT strategies are developed by combining the existing serial ISAT algorithm with different distribution strategies, namely purely local processing (PLP), uniformly random distribution (URAN), and preferential distribution (PREF). The distribution strategies enable the queued load redistribution of chemistry calculations among processors using message passing. They are implemented in the software x2f m pi, which is a Fortran 95 library for facilitating many parallel evaluations of a general vector function. The relative performance of the parallel ISAT strategies is investigated in different computational regimes via the PDF calculations of multiple partially stirred reactors burning methane/air mixtures. The results show that the performance of ISAT with a fixed distribution strategy strongly depends on certain computational regimes, based on how much memory is available and how much overlap exists between tabulated information on different processors. No one fixed strategy consistently achieves good performance in all the regimes. Therefore, an adaptive distribution strategy, which blends PLP, URAN and PREF, is devised and implemented. It yields consistently good performance in all regimes. In the adaptive parallel

  20. Non-thermally activated chemistry

    International Nuclear Information System (INIS)

    Stiller, W.

    1987-01-01

    The subject is covered under the following headings: state-of-the art of non-thermally activated chemical processes; basic phenomena in non-thermal chemistry including mechanochemistry, photochemistry, laser chemistry, electrochemistry, photo-electro chemistry, high-field chemistry, magneto chemistry, plasma chemistry, radiation chemistry, hot-atom chemistry, and positronium and muonium chemistry; elementary processes in non-thermal chemistry including nuclear chemistry, interactions of electromagnetic radiations, electrons and heavy particles with matter, ionic elementary processes, elementary processes with excited species, radicalic elementary processes, and energy-induced elementary processes on surfaces and interfaces; and comparative considerations. An appendix with historical data and a subject index is given. 44 figs., 41 tabs., and 544 refs

  1. Combustion

    CERN Document Server

    Glassman, Irvin

    2008-01-01

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

  2. Study of mechanically activated coal combustion

    Directory of Open Access Journals (Sweden)

    Burdukov Anatolij P.

    2009-01-01

    Full Text Available Combustion and air gasification of mechanically activated micro-ground coals in the flux have been studied. Influence of mechanically activated methods at coals grinding on their chemical activeness at combustion and gasification has been determined. Intense mechanical activation of coals increases their chemical activeness that enables development of new highly boosted processing methods for coals with various levels of metamorphism.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-11-15

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

  4. Combustion

    CERN Document Server

    Glassman, Irvin

    1997-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-10-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-10-15

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

  7. Activation analysis in water chemistry

    International Nuclear Information System (INIS)

    Szabo, A.; Toth, A.

    1978-01-01

    The potential applications of activation analysis in water chemistry are discussed. The principle, unit operations, the radiation sources and measuring instruments of activation analysis are described. The sensitivity of activation analysis is given in tabulated form for some elements of major importance in water chemistry and the elements readily accessible to determination by measurement of the spontaneous gamma radiation are listed. A few papers selected from the recent international professional literature are finally reviewed, in which the authors report on the results obtained by activation analysis applied to water chemistry. (author)

  8. Flame Dynamics and Chemistry in LRE Combustion Instability

    Science.gov (United States)

    2016-12-22

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

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

    KAUST Repository

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

    2014-01-01

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

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

    KAUST Repository

    Lucassen, Arnas

    2014-06-14

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

  11. Nitrogen Chemistry in Fluidized Bed Combustion of Coal

    DEFF Research Database (Denmark)

    Jensen, Anker Degn

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

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

    Science.gov (United States)

    Hunt, C. B.

    1979-01-01

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

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

    OpenAIRE

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

    2016-01-01

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

  14. Ammonia chemistry in oxy-fuel combustion of methane

    DEFF Research Database (Denmark)

    Mendiara, Teresa; Glarborg, Peter

    2009-01-01

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

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

    Science.gov (United States)

    Rothamer, David A; Donohue, Timothy J

    2013-06-01

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

  16. New approaches for description of nitrogen chemistry in combustion

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-12-01

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

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

    International Nuclear Information System (INIS)

    Kilpinen, P.; Hupa, M.

    1998-01-01

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

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

    KAUST Repository

    Sarathy, Mani

    2014-06-01

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

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

    KAUST Repository

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

    2014-01-01

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

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

    DEFF Research Database (Denmark)

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

    2011-01-01

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

  1. Nitrogen Chemistry During Burnout in Fuel-Staged Combustion

    DEFF Research Database (Denmark)

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

    1996-01-01

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

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

    International Nuclear Information System (INIS)

    Lindqvist, O.

    1995-01-01

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

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

    KAUST Repository

    Rachidi, Mariam El

    2017-06-23

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

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

    KAUST Repository

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

    2017-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

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

    CERN Document Server

    2000-01-01

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

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

    Science.gov (United States)

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

    2010-04-15

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

  8. Microemulsions in the Preparation of Highly Active Combustion Catalysts

    Czech Academy of Sciences Publication Activity Database

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

    2002-01-01

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

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

    Science.gov (United States)

    Pratt, D. T.

    1984-01-01

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

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

    Science.gov (United States)

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

  11. Combustion

    CERN Document Server

    Glassman, Irvin

    1987-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-06-09

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

  13. AFRL Combustion Science Branch Research Activities and Capabilities

    Science.gov (United States)

    2003-03-01

    a wide variety of partners that include other DoD organizations, NASA, DoE, . engine companies , universities, small businesses, and on-site...Dynamics with Chemistry (CFDC) code (Katta et aI., 1994) known as UNICORN (UNsteady Ignition and COmbustion with ReactioNs). UNICORN is a time- dependent...simulate a variety of dynamic flames (Roquemore and Katta, 1998). From its conception, the development of UNICORN has been strongly coupled with

  14. Elemental analysis of combustion products by neutron activation

    International Nuclear Information System (INIS)

    Heft, R.E.; Koszykowski, R.F.

    1980-01-01

    This paper gives a brief description of the neutron activation analysis method, which is being used to determine the elemental profile of combustion products from coal-fired power plants, oil shale retorting, and underground coal gasification

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

    OpenAIRE

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

    2018-01-01

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

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

    International Nuclear Information System (INIS)

    Weibring, G.; Zellner, R.

    1993-01-01

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

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

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

    Science.gov (United States)

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

    2017-10-01

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

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

    International Nuclear Information System (INIS)

    Rosas G, N.

    2008-01-01

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

  20. Water chemistry-related activities at the IAEA

    International Nuclear Information System (INIS)

    Cheng, H.; Onufriev, V.

    2005-01-01

    Water chemistry activities and publications in the past are listed. IAEA Coordinated Research Programmes, WWER-1000 SG water chemistry database, materials issues TM in Vienna, TC workshops and attendance of international meetings, publications. There is a list of IAEA publications related to water chemistry and corrosion. Finally water chemistry activities planned for 2006-2008 are detailed. (N.T.)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-12-12

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

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

    Science.gov (United States)

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

    2017-12-01

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

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

    Science.gov (United States)

    Omidvarborna, Hamid

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

  4. Activation analysis for food chemistry Pt. 3

    International Nuclear Information System (INIS)

    Szabo, S.A.; Gundorin, A.N.

    1982-01-01

    The nondestructive determination of K, Na, Ca, Mg, Cl and P content of animal tissues was reported. The IBR-30 (Dubna) reactor was used as the thermal neutron source for all the (n,ν) reactions needed for the analyses (tabulated), and as the source of fast neutrons for the (n,α) reaction of the P determination, too. Results and errors of the analyses (5-15%) were discussed comparing the reproducibility of the methods in case of different animal tissues, liver, bones, blood, etc. The nondestructive neutron activation multielemental analysis for food chemistry can be recommended in the case of a large scale monitoring program of food samples. (Sz.J.)

  5. Genus Pouteria: chemistry and biological activity

    Directory of Open Access Journals (Sweden)

    Cíntia A. M. Silva

    Full Text Available The genus Pouteria belongs to the family Sapotaceae and can be widely found around the World. These plants have been used as building material, as food, because the eatable fruits, as well as remedies in folk medicine. Some biological activities have been reported to species of this genus such as antioxidant, anti-inflammatory, antibacterial and antifungal. However, the real potential of this genus as source of new drugs or phytomedicines remains unknown. Therefore, a review of the so far known chemical composition and biological activities of this genus is presented to stimulate new studies about the species already reported moreover that species have no reference about chemistry or biological activities could be found until now.

  6. Studies in combustion dynamics

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  7. Effect of combustion condition on cytotoxic and inflammatory activity of residential wood combustion particles

    Science.gov (United States)

    Jalava, Pasi I.; Salonen, Raimo O.; Nuutinen, Kati; Pennanen, Arto S.; Happo, Mikko S.; Tissari, Jarkko; Frey, Anna; Hillamo, Risto; Jokiniemi, Jorma; Hirvonen, Maija-Riitta

    2010-05-01

    Residential heating is an important local source of fine particles and may cause significant exposure and health effects in populations. We investigated the cytotoxic and inflammatory activity of particulate emissions from normal (NC) and smouldering (SC) combustion in one masonry heater. The PM 1-0.2 and PM 0.2 samples were collected from the dilution tunnel with a high-volume cascade impactor (HVCI). Mouse RAW 264.7 macrophages were exposed to the PM-samples for 24 h. Inflammatory mediators, (IL-6, TNFα and MIP-2), and cytotoxicity (MTT-test), were measured. Furthermore, apoptosis and cell cycle of macrophages were analyzed. The HVCI particulate samples were characterized for ions, elements and PAH compounds. Assays of elemental and organic carbon were conducted from parallel low volume samples. All the samples displayed mostly dose-dependent inflammatory and cytotoxic activity. SC samples were more potent than NC samples at inducing cytotoxicity and MIP-2 production, while the order of potency was reversed in TNFα production. SC-PM 1-0.2 sample was a significantly more potent inducer of apoptosis than the respective NC sample. After adjustment for the relative toxicity with emission factor (mg MJ -1), the SC-PM emissions had clearly higher inflammatory and cytotoxic potential than the NC-PM emissions. Thus, operational practice in batch burning of wood and the resultant combustion condition clearly affect the toxic potential of particulate emissions.

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

    Energy Technology Data Exchange (ETDEWEB)

    Baxter, Larry L.

    2008-06-09

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-11-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-04-15

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

  11. Using Computational Chemistry Activities to Promote Learning and Retention in a Secondary School General Chemistry Setting

    Science.gov (United States)

    Ochterski, Joseph W.

    2014-01-01

    This article describes the results of using state-of-the-art, research-quality software as a learning tool in a general chemistry secondary school classroom setting. I present three activities designed to introduce fundamental chemical concepts regarding molecular shape and atomic orbitals to students with little background in chemistry, such as…

  12. Writing Chemistry Jingles as an Introductory Activity in a High School Chemistry Class

    Science.gov (United States)

    Heid, Peter F.

    2011-01-01

    Starting the school year in an introductory high school chemistry class can be a challenge. The topic and approach is new to the students; many of the early chapters in the texts can be a bit tedious; and for many students the activities are uninspiring. My goal in the first few weeks of school is to hook the students on chemistry by getting them…

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

    Science.gov (United States)

    Dagan, Yuval; Ghoniem, Ahmed

    2017-11-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-09-05

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-02-02

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-08-13

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

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

    NARCIS (Netherlands)

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

    2009-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-12-31

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-31

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-11-13

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

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

    International Nuclear Information System (INIS)

    Osborn, David L.

    2017-01-01

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

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

    Science.gov (United States)

    Osborn, David L.

    2017-05-01

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

  3. PDF Modeling of Turbulent Combustion

    National Research Council Canada - National Science Library

    Pope, Stephen B

    2006-01-01

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

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

    Science.gov (United States)

    Robertson, Amy D.; Shaffer, Peter S.

    2014-01-01

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

  5. Combustion characteristics and influential factors of isooctane active-thermal atmosphere combustion assisted by two-stage reaction of n-heptane

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Xingcai; Ji, Libin; Ma, Junjun; Zhou, Xiaoxin; Huang, Zhen [Key Lab. for Power Machinery and Engineering of MOE, Shanghai Jiao Tong University, 200240 Shanghai (China)

    2011-02-15

    This paper presents an experimental study on the isooctane active-thermal atmosphere combustion (ATAC) which is assisted by two-stage reaction of n-heptane. The active-thermal atmosphere is created by low- and high-temperature reactions of n-heptane which is injected at intake port, and isooctane is directly injected into combustion chamber near the top dead center. The effects of isooctane injection timing, active-thermal atmosphere intensity, overall equivalence ratio, and premixed ratio on combustion characteristics and emissions are investigated. The experimental results reveal that, the isooctane ignition and combustion can be classified to thermal atmosphere combustion, active atmosphere combustion, and active-thermal atmosphere combustion respectively according to the extent of n-heptane oxidation as well as effects of isooctane quenching and charge cooling. n-Heptane equivalence ratio, isooctane equivalence ratio and isooctane delivery advance angle are major control parameters. In one combustion cycle, the isooctane ignited and burned after those of n-heptane, and then this combustion phenomenon can also be named as dual-fuel sequential combustion (DFSC). The ignition timing of the overall combustion event is mainly determined by n-heptane equivalence ratio and can be controlled in flexibility by simultaneously adjusting isooctane equivalence ratio. The isooctane ignition regime, overall thermal efficiency, and NO{sub x} emissions show strong sensitivity to the fuel delivery advance angle between 20 CA BTDC and 25 CA BTDC. (author)

  6. DEVELOPMENT OF ACTIVATED CARBONS FROM COAL COMBUSTION BY-PRODUCTS

    Energy Technology Data Exchange (ETDEWEB)

    Harold H. Schobert; M. Mercedes Maroto-Valer; Zhe Lu

    2003-09-30

    The increasing role of coal as a source of energy in the 21st century will demand environmental and cost-effective strategies for the use of coal combustion by-products (CCBPs), mainly unburned carbon in fly ash. Unburned carbon is nowadays regarded as a waste product and its fate is mainly disposal, due to the present lack of efficient routes for its utilization. However, unburned carbon is a potential precursor for the production of adsorbent carbons, since it has gone through a devolatilization process while in the combustor, and therefore, only requires to be activated. Accordingly, the principal objective of this work was to characterize and utilize the unburned carbon in fly ash for the production of activated carbons. The unburned carbon samples were collected from different combustion systems, including pulverized utility boilers, a utility cyclone, a stoker, and a fluidized bed combustor. LOI (loss-on-ignition), proximate, ultimate, and petrographic analyses were conducted, and the surface areas of the samples were characterized by N2 adsorption isotherms at 77K. The LOIs of the unburned carbon samples varied between 21.79-84.52%. The proximate analyses showed that all the samples had very low moisture contents (0.17 to 3.39 wt %), while the volatile matter contents varied between 0.45 to 24.82 wt%. The elemental analyses show that all the unburned carbon samples consist mainly of carbon with very little hydrogen, nitrogen, sulfur and oxygen In addition, the potential use of unburned carbon as precursor for activated carbon (AC) was investigated. Activated carbons with specific surface area up to 1075m{sup 2}/g were produced from the unburned carbon. The porosity of the resultant activated carbons was related to the properties of the unburned carbon feedstock and the activation conditions used. It was found that not all the unburned carbon samples are equally suited for activation, and furthermore, their potential as activated carbons precursors could be

  7. On the concepts of carrier and specific activity in nuclear chemistry, radioanalytical chemistry and radiopharmaceutical chemistry

    International Nuclear Information System (INIS)

    Bonardi, Mauro L.

    2011-01-01

    At present a IUPAC Project regarding 'Terminology, Quantities and Units concerning Production and Applications of Radionuclides in Radiopharmaceutical and Radioanalytical Chemistry' states that: 'CARRIER is a chemical species - already present in the preparation or intentionally added - which will carry a given radionuclide in its associated species through the radiochemical procedure and/or prevents the radionuclide in its associated species from undergoing non-specific processes due to its low concentration'

  8. Method and apparatus for active control of combustion rate through modulation of heat transfer from the combustion chamber wall

    Science.gov (United States)

    Roberts, Jr., Charles E.; Chadwell, Christopher J.

    2004-09-21

    The flame propagation rate resulting from a combustion event in the combustion chamber of an internal combustion engine is controlled by modulation of the heat transfer from the combustion flame to the combustion chamber walls. In one embodiment, heat transfer from the combustion flame to the combustion chamber walls is mechanically modulated by a movable member that is inserted into, or withdrawn from, the combustion chamber thereby changing the shape of the combustion chamber and the combustion chamber wall surface area. In another embodiment, heat transfer from the combustion flame to the combustion chamber walls is modulated by cooling the surface of a portion of the combustion chamber wall that is in close proximity to the area of the combustion chamber where flame speed control is desired.

  9. Fire, Climate, and Human Activity: A Combustive Combination

    Science.gov (United States)

    Kehrwald, N. M.; Battistel, D.; Argiriadis, E.; Barbante, C.; Barber, L. B.; Fortner, S. K.; Jasmann, J.; Kirchgeorg, T.; Zennaro, P.

    2017-12-01

    Ice and lake core records demonstrate that fires caused by human activity can dominate regional biomass burning records in the Common Era. These major increases in fires are often associated with extensive land use change such as an expansion in agriculture. Regions with few humans, relatively stable human populations and/or unvarying land use often have fire histories that are dominated by climate parameters such as temperature and precipitation. Here, we examine biomass burning recorded in ice cores from northern Greenland (NEEM, (77°27'N; 51°3.6'W), Alaska (Juneau Icefield, 58° 35' N; 134° 29'W) and East Antarctica (EPICA DOME C; 75°06'S; 123°21'E), along with New Zealand lake cores to investigate interactions between climate, fire and human activity. Biomarkers such as levoglucosan, and its isomers mannosan and galactosan, can only be produced by cellulose combustion and therefore are specific indicators of past fire activity archived in ice and lake cores. These fire histories add another factor to climate proxies from the same core, and provide a comparison to regional fire syntheses from charcoal records and climate models. For example, fire data from the JSBACH-Spitfire model for the past 2000 years demonstrates that a climate-only scenario would not increase biomass burning in high northern latitudes for the past 2000 years, while NEEM ice core and regional pollen records demonstrate both increased fire activity and land use change that may be ascribed to human activity. Additional biomarkers such as fecal sterols in lake sediments can determine when people were in an area, and can help establish if an increased human presence in an area corresponds with intensified fire activity. This combination of specific biomarkers, other proxy data, and model output can help determine the relative impact of humans versus climate factors on regional fire activity.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-12-01

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

  11. Modeling and simulation of combustion chamber and propellant dynamics and issues in active control of combustion instabilities

    Science.gov (United States)

    Isella, Giorgio Carlo

    A method for a comprehensive approach to analysis of the dynamics of an actively controlled combustion chamber, with detailed analysis of the combustion models for the case of a solid rocket propellant, is presented here. The objective is to model the system as interconnected blocks describing the dynamics of the chamber, combustion and control. The analytical framework for the analysis of the dynamics of a combustion chamber is based on spatial averaging, as introduced by Culick. Combustion dynamics are analyzed for the case of a solid propellant. Quasi-steady theory is extended to include the dynamics of the gas-phase and also of a surface layer. The models are constructed so that they produce a combustion response function for the solid propellant that can be immediately introduced in the our analytical framework. The principal objective mechanisms responsible for the large sensitivity, observed experimentally, of propellant response to small variations. We show that velocity coupling, and not pressure coupling, has the potential to be the mechanism responsible for that high sensitivity. We also discuss the effect of particulate modeling on the global dynamics of the chamber and revisit the interpretation of the intrinsic stability limit for burning of solid propellants. Active control is also considered. Particular attention is devoted to the effect of time delay (between sensing and actuation); several methods to compensate for it are discussed, with numerical examples based on the approximate analysis produced by our framework. Experimental results are presented for the case of a Dump Combustor. The combustor exhibits an unstable burning mode, defined through the measurement of the pressure trace and shadowgraph imaging. The transition between stable and unstable modes of operation is characterized by the presence of hysteresis, also observed in other experimental works, and hence not a special characteristic of this combustor. Control is introduced in the

  12. USSR Report Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Dryer, Frederick L.

    2009-04-10

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

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

    KAUST Repository

    Selim, Hatem

    2015-04-16

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

  15. Novel Active Combustion Control Concept for High-Frequency Modulation of Atomized Fuel Flow, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposal by Jansen's Aircraft Systems Controls, Inc presents an innovative solution for Active Combustion Control. Relative to the state of the art, this...

  16. Effects of Noise and Time Delay Upon Active Control of Combustion Instabilities

    National Research Council Canada - National Science Library

    Zinn, Ben

    2001-01-01

    To improve the performance of practical active control system (ACS) for unstable combustors, the effects of system noise and ACS time delay upon combustion instabilities and the ACS performance were studied...

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

    Science.gov (United States)

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

    2018-02-19

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

  18. Sandia Combustion Research Program

    Energy Technology Data Exchange (ETDEWEB)

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

    1988-01-01

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

  19. Empowering Girls with Chemistry, Exercise and Physical Activity

    Science.gov (United States)

    Clapham, Emily D.; Ciccomascolo, Lori E.; Clapham, Andrew J.

    2015-01-01

    Research suggests that a girl's career interests in the areas of science, technology, engineering and mathematics (STEM) declines between grades 6 and 8. Similarly, in middle school, there is a decrease in physical activity among girls. Researchers at the University of Rhode Island (URI) conducted a chemistry-based science camp that took place…

  20. Marine natural flavonoids: chemistry and biological activities.

    Science.gov (United States)

    Martins, Beatriz T; Correia da Silva, Marta; Pinto, Madalena; Cidade, Honorina; Kijjoa, Anake

    2018-05-04

    As more than 70% of the world's surface is covered by oceans, marine organisms offer a rich and unlimited resource of structurally diverse bioactive compounds. These organisms have developed unique properties and bioactive compounds that are, in majority of them, unparalleled by their terrestrial counterparts due to the different surrounding ecological systems. Marine flavonoids have been extensively studied in the last decades due to a growing interest concerning their promising biological/pharmacological activities. The most common classes of marine flavonoids are flavones and flavonols, which are mostly isolated from marine plants. Although most of flavonoids are hydroxylated and methoxylated, some marine flavonoids possess an unusual substitution pattern, not commonly found in terrestrial organisms, namely the presence of sulphate, chlorine, and amino groups. This review presents, for the first time in a systematic way, the structure, natural occurrence, and biological activities of marine flavonoids.

  1. Neutron activation analysis in archaeological chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Harbottle, G [Brookhaven National Lab., Upton, NY (United States)

    1990-01-01

    There is a long history of the application of chemical analysis to archaeological problems, extending to the last years of the 18th century. The nuclear-age technique of neutron activation analysis, permitting the simultaneous, sensitive, non-destructive estimation of many elements in an archaeological specimen, has found wide application. Important advances have been made, using this technique, in locating the origins of archaeological artifacts such as ceramics, metals, obsidian and semiprecious stones, among other articles of ancient ritual and commerce. In addition, the technique of neutron activation analysis has proved to be almost ideal in studies tracing the development of ancient technologies such as glass-making and smelting. In the future, the development of data banks of analyses of archaeological materials should provide an excellent new tool in studies of prehistory.

  2. Neutron activation analysis in archaeological chemistry

    International Nuclear Information System (INIS)

    Harbottle, G.

    1990-01-01

    There is a long history of the application of chemical analysis to archaeological problems, extending to the last years of the 18th century. The nuclear-age technique of neutron activation analysis, permitting the simultaneous, sensitive, non-destructive estimation of many elements in an archaeological specimen, has found wide application. Important advantages have been made, using this technique, in locating the origins of archaeological artifacts such as ceramics, metals, obsidian and semiprecious stones, among other articles of ancient ritual and commerce. In addition, the technique of neutron activation analysis has proved to be almost ideal in studies tracing the development of ancient technologies such as glass-making and smelting. In the future, the development of data banks of analyses of archaeological materials should provide an excellent new tool in studies of prehistory. (orig.)

  3. 40 CFR 60.1370 - What records must I keep for municipal waste combustion units that use activated carbon?

    Science.gov (United States)

    2010-07-01

    ... waste combustion unit at your plant. Include supporting calculations. (b) Records of low carbon feed... waste combustion units that use activated carbon? 60.1370 Section 60.1370 Protection of Environment... SOURCES Standards of Performance for Small Municipal Waste Combustion Units for Which Construction is...

  4. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

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

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-10-01

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

  7. Indoor Chemistry: Materials, Ventilation Systems, and Occupant Activities

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, G.C.; Corsi, R.L.; Destaillats, H.; Nazaroff, W.W.; Wells, J.R.

    2006-05-01

    Chemical processes taking place in indoor environments can significantly alter the nature and concentrations of pollutants. Exposure to secondary contaminants generated in these reactions needs to be evaluated in association with many aspects of buildings to minimize their impact on occupant health and well-being. Focusing on indoor ozone chemistry, we describe alternatives for improving indoor air quality by controlling chemical changes related to building materials, ventilation systems, and occupant activities.

  8. Nuclear activation analysis work at Analytical Chemistry Division: an overview

    International Nuclear Information System (INIS)

    Verma, R.; Swain, K.K.; Remya Devi, P.S.; Dalvi, Aditi A.; Ajith, Nicy; Ghosh, M.; Chowdhury, D.P.; Datta, J.; Dasgupta, S.

    2016-04-01

    Nuclear activation analysis using neutron and charged particles is used routinely for analysis and research at Analytical Chemistry Division (ACD), Bhabha Atomic Research Centre (BARC). Neutron activation analysis at ACD, BARC, Mumbai, India has been pursued since late fifties using Apsara, CIRUS, Dhruva and Critical facility Research reactors, 239 Pu-Be neutron source and neutron generator. Instrumental, Radiochemical, Chemical and Derivative neutron activation analysis approaches are adopted depending on the analyte and the matrix. Large sample neutron activation analysis as well as k 0 -based internal monostandard neutron activation analysis is also used. Charged particle activation analysis at ACD, Variable Energy Cyclotron Centre (VECC), Kolkata started in late eighties and is being used for industrial applications and research. Proton, alpha, deuteron and heavy ion beams from 224 cm room temperature Variable Energy Cyclotron are used for determination of trace elements, measurement of excitation function, thin layer activation and preparation of endohedral fullerenes encapsulated with radioactive isotopes. Analytical Chemistry Division regularly participates in Inter and Intra laboratory comparison exercises conducted by various organizations including International Atomic Energy Agency (IAEA) and the results invariably include values obtained by neutron activation analysis. (author)

  9. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

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

  10. Bioorthogonal chemistry: applications in activity-based protein profiling.

    Science.gov (United States)

    Willems, Lianne I; van der Linden, Wouter A; Li, Nan; Li, Kah-Yee; Liu, Nora; Hoogendoorn, Sascha; van der Marel, Gijs A; Florea, Bogdan I; Overkleeft, Herman S

    2011-09-20

    of chemical biology research include contributions from many areas of the multifaceted discipline of chemistry, and particularly from organic chemistry. Researchers apply knowledge inherent to organic chemistry, such as reactivity and selectivity, to the manipulation of specific biomolecules in biological samples (cell extracts, living cells, and sometimes even animal models) to gain insight into the biological phenomena in which these molecules participate. In this Account, we highlight some of the recent developments in chemical biology research driven by organic chemistry, with a focus on bioorthogonal chemistry in relation to activity-based protein profiling. The rigorous demands of bioorthogonality have not yet been realized in a truly bioorthogonal reagent pair, but remarkable progress has afforded a range of tangible contributions to chemical biology research. Activity-based protein profiling, which aims to obtain information on the workings of a protein (or protein family) within the larger context of the full biological system, has in particular benefited from these advances. Both activity-based protein profiling and bioorthogonal chemistry have been around for approximately 15 years, and about 8 years ago the two fields very profitably intersected. We expect that each discipline, both separately and in concert, will continue to make important contributions to chemical biology research. © 2011 American Chemical Society

  11. Sandia Combustion Research: Technical review

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-07-01

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

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

    Science.gov (United States)

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

    2013-01-01

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

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

    Science.gov (United States)

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

    2014-03-01

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

  14. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1976-01-01

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

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

    Science.gov (United States)

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

    2014-03-01

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

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

    Science.gov (United States)

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

    2013-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-07-01

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

  18. Forensic Chemistry

    Science.gov (United States)

    Bell, Suzanne

    2009-07-01

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

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

    Science.gov (United States)

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

    2014-03-01

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

  20. Performance Evaluation of a High Bandwidth Liquid Fuel Modulation Valve for Active Combustion Control

    Science.gov (United States)

    Saus, Joseph R.; DeLaat, John C.; Chang, Clarence T.; Vrnak, Daniel R.

    2012-01-01

    At the NASA Glenn Research Center, a characterization rig was designed and constructed for the purpose of evaluating high bandwidth liquid fuel modulation devices to determine their suitability for active combustion control research. Incorporated into the rig s design are features that approximate conditions similar to those that would be encountered by a candidate device if it were installed on an actual combustion research rig. The characterized dynamic performance measures obtained through testing in the rig are planned to be accurate indicators of expected performance in an actual combustion testing environment. To evaluate how well the characterization rig predicts fuel modulator dynamic performance, characterization rig data was compared with performance data for a fuel modulator candidate when the candidate was in operation during combustion testing. Specifically, the nominal and off-nominal performance data for a magnetostrictive-actuated proportional fuel modulation valve is described. Valve performance data were collected with the characterization rig configured to emulate two different combustion rig fuel feed systems. Fuel mass flows and pressures, fuel feed line lengths, and fuel injector orifice size was approximated in the characterization rig. Valve performance data were also collected with the valve modulating the fuel into the two combustor rigs. Comparison of the predicted and actual valve performance data show that when the valve is operated near its design condition the characterization rig can appropriately predict the installed performance of the valve. Improvements to the characterization rig and accompanying modeling activities are underway to more accurately predict performance, especially for the devices under development to modulate fuel into the much smaller fuel injectors anticipated in future lean-burning low-emissions aircraft engine combustors.

  1. Test Plan for Measuring Ventilation Rates and Combustible Gas Levels in TWRS Active Catch Tanks

    Energy Technology Data Exchange (ETDEWEB)

    NGUYEN, D.M.

    1999-10-25

    The purpose of this sampling activity is to obtain data to support an initial evaluation of potential hazards due to the presence of combustible gas in catch tanks that are currently operated by the River Protection Project (RPP). Results of the hazard analysis will be used to support closure of the flammable gas unreviewed safety question for these facilities. The data collection will be conducted in accordance with the Tank Safety Screening Data Quality Objective (Dukelow et al. 1995). Combustible gas, ammonia, and organic vapor levels in the headspace of the catch tanks will be field-measured using hand-held instruments. If a combustible gas level measurement in a tank exceeds an established threshold, gas samples will he collected in SUMMA' canisters for more extensive laboratory analysis. In addition, ventilation rates of some catch tanks will be measured to evaluate removal of flammable gas by air flowing through the tanks. This test plan identifies the sample collection, laboratory analysis, quality assurance, and reporting objectives for this data collection effort. The plan also provides the procedures for field measurement of combustible gas concentrations and ventilation rates.

  2. A review of active control approaches in stabilizing combustion systems in aerospace industry

    Science.gov (United States)

    Zhao, Dan; Lu, Zhengli; Zhao, He; Li, X. Y.; Wang, Bing; Liu, Peijin

    2018-02-01

    Self-sustained combustion instabilities are one of the most plaguing challenges and problems in lean-conditioned propulsion and land-based engine systems, such as rocket motors, gas turbines, industrial furnace and boilers, and turbo-jet thrust augmenters. Either passive or active control in open- or closed-loop configurations can be implemented to mitigate such instabilities. One of the classical disadvantages of passive control is that it is only implementable to a designed combustor over a limited frequency range and can not respond to the changes in operating conditions. Compared with passive control approaches, active control, especially in closed-loop configuration is more adaptive and has inherent capacity to be implemented in practice. The key components in closed-loop active control are 1) sensor, 2) controller (optimization algorithm) and 3) dynamic actuator. The present work is to outline the current status, technical challenges and development progress of the active control approaches (in open- or closed-loop configurations). A brief description of feedback control, adaptive control, model-based control and sliding mode control are provided first by introducing a simplified Rijke-type combustion system. The modelled combustion system provides an invaluable platform to evaluate the performance of these feedback controllers and a transient growth controller. The performance of these controllers are compared and discussed. An outline of theoretical, numerical and experimental investigations are then provided to overview the research and development progress made during the last 4 decades. Finally, potential, challenges and issues involved with the design, application and implementation of active combustion control strategies on a practical engine system are highlighted.

  3. Activated Carbon Textile via Chemistry of Metal Extraction for Supercapacitors.

    Science.gov (United States)

    Lam, Do Van; Jo, Kyungmin; Kim, Chang-Hyun; Kim, Jae-Hyun; Lee, Hak-Joo; Lee, Seung-Mo

    2016-12-27

    Carbothermic reduction in the chemistry of metal extraction (MO(s) + C(s) → M(s) + CO(g)) using carbon as a sacrificial agent has been used to smelt metals from diverse oxide ores since ancient times. Here, we paid attention to another aspect of the carbothermic reduction to prepare an activated carbon textile for high-rate-performance supercapacitors. On the basis of thermodynamic reducibility of metal oxides reported by Ellingham, we employed not carbon, but metal oxide as a sacrificial agent in order to prepare an activated carbon textile. We conformally coated ZnO on a bare cotton textile using atomic layer deposition, followed by pyrolysis at high temperature (C(s) + ZnO(s) → C'(s) + Zn(g) + CO(g)). We figured out that it leads to concurrent carbonization and activation in a chemical as well as mechanical way. Particularly, the combined effects of mechanical buckling and fracture that occurred between ZnO and cotton turned out to play an important role in carbonizing and activating the cotton textile, thereby significantly increasing surface area (nearly 10 times) compared with the cotton textile prepared without ZnO. The carbon textiles prepared by carbothermic reduction showed impressive combination properties of high power and energy densities (over 20-fold increase) together with high cyclic stability.

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

    KAUST Repository

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

    2017-01-01

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

  5. Ethnobotany, chemistry, and biological activities of the genus Tithonia (Asteraceae).

    Science.gov (United States)

    Chagas-Paula, Daniela A; Oliveira, Rejane B; Rocha, Bruno A; Da Costa, Fernando B

    2012-02-01

    The genus Tithonia is an important source of diverse natural products, particularly sesquiterpene lactones, diterpenes, and flavonoids. The collected information in this review attempts to summarize the recent developments in the ethnobotany, biological activities, and secondary metabolite chemistry of this genus. More than 100 structures of natural products from Tithonia are reported in this review. The species that has been most investigated in this genus is T. diversifolia, from which ca. 150 compounds were isolated. Biological studies are described to evaluate the anti-inflammatory, analgesic, antimalarial, antiviral, antidiabetic, antidiarrhoeal, antimicrobial, antispasmodic, vasorelaxant, cancer-chemopreventive, cytotoxic, toxicological, bioinsecticide, and repellent activities. A few of these studies have been carried out with isolated compounds from Tithonia species, but the majority has been conducted with different extracts. The relationship between the biological activity and the toxicity of compounds isolated from the plants of this genus as well as T. diversifolia extracts still remains unclear, and mechanisms of action remain to be determined. Copyright © 2012 Verlag Helvetica Chimica Acta AG, Zürich.

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

    Directory of Open Access Journals (Sweden)

    Bordet N.

    2011-11-01

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

  7. Study of the catalytic activity of ceramic nano fibers in the methane combustion

    International Nuclear Information System (INIS)

    Reolon, R.P.; Berutti, F.A.; Alves, A.K.; Bergmann, C.P.

    2009-01-01

    In this work titanium oxide fibers, doped with cerium and copper, were synthesized using the electro spinning process. Titanium propoxide was used as a precursor in the electro spinning synthesis. The obtained fibers were heat treated after receive a spray with an alcoholic solution of cerium acetate and copper nitrate. The non-tissue material obtained was characterized by X-ray diffraction to determine the phase and crystallite size, X-ray photoelectron spectroscopy (XPS), BET method to determine the surface and SEM to analyze the microstructure of the fibers. The catalytic activity was evaluated by methane and air combustion under different temperatures. The amount of combustion gases such as NO x , C x H y , CO e CO 2 , were analyzed. (author)

  8. Combustion synthesis and catalytic activity of LaCoO{sub 3} for HMX thermal decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Zhi-Xian; Chi, Ying-Nan [Department of Chemistry, Institute for Chemical Physics, Beijing Institute of Technology (China); Hu, Chang-Wen [State Key Laboratory of Explosion Science, Technology Beijing Institute of Technology, Beijing (China); Liu, Hai-Yan [Department of Chemistry, Science Institute, North China University, Taiyuan, Shanxi (China)

    2009-10-15

    Perovskite-type LaCoO{sub 3} was prepared by stearic acid solution combustion method and characterized by XRD, DSC-TG, and XPS techniques. The catalytic activities of LaCoO{sub 3} for HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) thermal decomposition were investigated. The as-prepared LaCoO{sub 3} shows higher activity than the calcined one. This could be due to higher concentration of surface-adsorbed oxygen and hydroxyl species as well as higher BET surface area of the as-prepared LaCoO{sub 3}. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  9. The Effect of Chemistry Laboratory Activities on Students' Chemistry Perception and Laboratory Anxiety Levels

    Science.gov (United States)

    Aydogdu, Cemil

    2017-01-01

    Chemistry lesson should be supported with experiments to understand the lecture effectively. For safety laboratory environment and to prevent laboratory accidents; chemical substances' properties, working principles for chemical substances' usage should be learnt. Aim of the present study was to analyze the effect of experiments which depend on…

  10. Evaluation of Potential Impacts of Microbial Activity on Drift Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Y. Wang

    2004-11-18

    ''Evaluation of Potential Impacts of Microbial Activity on Drift Chemistry'' focuses on the potential for microbial communities that could be active in repository emplacement drifts to influence the in-drift bulk chemical environment. This report feeds analyses to support the inclusion or exclusion of features, events, and processes (FEPs) in the total system performance assessment (TSPA) for the license application (LA), but this work is not expected to generate direct feeds to the TSPA-LA. The purpose was specified by, and the evaluation was performed and is documented in accordance with, ''Technical Work Plan For: Near-Field Environment and Transport In-Drift Geochemistry Analyses'' (BSC 2004 [DIRS 172402], Section 2.1). This report addresses all of the FEPs assigned by the technical work plan (TWP), including the development of exclusion arguments for FEPs that are not carried forward to the TSPA-LA. Except for an editorial correction noted in Section 6.2, there were no other deviations from the TWP. This report documents the completion of all assigned tasks, as follows (BSC 2004 DIRS 172402, Section 1.2.1): (1) Perform analyses to evaluate the potential for microbial activity in the waste emplacement drift under the constraints of anticipated physical and chemical conditions. (2) Evaluate uncertainties associated with these analyses. (3) Determine whether the potential for microbes warrants a feed to TSPA-LA to account for predicted effects on repository performance. (4) Provide information to address the ''Yucca Mountain Review Plan, Final Report'' (NUREG-1804) (NRC 2003 [DIRS 163274]) and Key Technical Issues and agreements, as appropriate. (5) Develop information for inclusion or exclusion of FEPs.

  11. Evaluation of Potential Impacts of Microbial Activity on Drift Chemistry

    International Nuclear Information System (INIS)

    Y. Wang

    2004-01-01

    ''Evaluation of Potential Impacts of Microbial Activity on Drift Chemistry'' focuses on the potential for microbial communities that could be active in repository emplacement drifts to influence the in-drift bulk chemical environment. This report feeds analyses to support the inclusion or exclusion of features, events, and processes (FEPs) in the total system performance assessment (TSPA) for the license application (LA), but this work is not expected to generate direct feeds to the TSPA-LA. The purpose was specified by, and the evaluation was performed and is documented in accordance with, ''Technical Work Plan For: Near-Field Environment and Transport In-Drift Geochemistry Analyses'' (BSC 2004 [DIRS 172402], Section 2.1). This report addresses all of the FEPs assigned by the technical work plan (TWP), including the development of exclusion arguments for FEPs that are not carried forward to the TSPA-LA. Except for an editorial correction noted in Section 6.2, there were no other deviations from the TWP. This report documents the completion of all assigned tasks, as follows (BSC 2004 DIRS 172402, Section 1.2.1): (1) Perform analyses to evaluate the potential for microbial activity in the waste emplacement drift under the constraints of anticipated physical and chemical conditions. (2) Evaluate uncertainties associated with these analyses. (3) Determine whether the potential for microbes warrants a feed to TSPA-LA to account for predicted effects on repository performance. (4) Provide information to address the ''Yucca Mountain Review Plan, Final Report'' (NUREG-1804) (NRC 2003 [DIRS 163274]) and Key Technical Issues and agreements, as appropriate. (5) Develop information for inclusion or exclusion of FEPs

  12. On the effects of organic matter and sulphur-containing compounds on the CCN activation of combustion particles

    Directory of Open Access Journals (Sweden)

    A. Petzold

    2005-01-01

    Full Text Available The European PartEmis project (Measurement and prediction of emissions of aerosols and gaseous precursors from gas turbine engines was focussed on the characterisation and quantification of exhaust emissions from a gas turbine engine. The combustion aerosol characterisation included on-line measurements of mass and number concentration, size distribution, mixing state, thermal stability of internally mixed particles, hygroscopicity, cloud condensation nuclei (CCN activation potential, and off-line analysis of chemical composition. Based on this extensive data set, the role of sulphuric acid coating and of the organic fraction of the combustion particles for the CCN activation was investigated. Modelling of CCN activation was conducted using microphysical and chemical properties obtained from the measurements as input data. Coating the combustion particles with water-soluble sulphuric acid, increases the potential CCN activation, or lowers the activation diameter, respectively. The adaptation of a Köhler model to the experimental data yielded coatings from 0.1 to 3 vol-% of water-soluble matter, which corresponds to an increase in the fraction of CCN-activated combustion particles from ≤10−4 to ≌10−2 at a water vapour saturation ratio Sw=1.006. Additional particle coating by coagulation of combustion particles and aqueous sulphuric acid particles formed by nucleation further reduces the CCN activation diameter. In contrast, particles containing a large fraction of non-volatile organic compounds grow significantly less at high relative humidity than particles with a lower content of non-volatile OC. The resulting reduction in the potential CCN activation with an increasing fraction of non-volatile OC becomes visible as a trend in the experimental data. While a coating of water-soluble sulphuric acid increases the potential CCN activation, or lowers the activation diameter, respectively, the non-volatile organic compounds, mainly found at

  13. Current status of neutron activation analysis and applied nuclear chemistry

    International Nuclear Information System (INIS)

    Lyon, W.S.

    1990-01-01

    A review of recent scientometric studies of citations and publication data shows the present state of NAA and applied nuclear chemistry as compared to other analytical techniques. (author) 9 refs.; 7 tabs

  14. Fuels and Combustion | Transportation Research | NREL

    Science.gov (United States)

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

  15. Active lubrication applied to internal combustion engines - evaluation of control strategies

    DEFF Research Database (Denmark)

    Estupinan, Edgar Alberto; Santos, Ilmar

    2009-01-01

    surface. The behaviour of a main bearing of a medium size combustion engine, operating with radial oil injection and with four different control strategies is analyzed, giving some insights into the minimum fluid film thickness, maximum fluid film pressure, friction losses and maximum vibration levels...... of reducing friction losses and vibrations between the crankshaft and the bearings. The conventional hydrodynamic lubrication is combined with hydrostatic lubrication which is actively modified by radially injecting oil at controllable pressures, through orifices circumferentially located around the bearing...

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

    Science.gov (United States)

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

    2014-03-01

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

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

    Science.gov (United States)

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

    2013-01-01

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

  18. Main Group Element Chemistry in Service of Hydrogen Storage and Activation. Final report

    International Nuclear Information System (INIS)

    Dixon, David A.; Arduengo, Anthony J. III

    2010-01-01

    Replacing combustion of carbon-based fuels with alternative energy sources that have minimal environmental impact is one of the grand scientific and technological challenges of the early 21st century. Not only is it critical to capture energy from new, renewable sources, it is also necessary to store the captured energy efficiently and effectively for use at the point of service when and where it is needed, which may not be collocated with the collection site. There are many potential storage media but we focus on the storage of energy in chemical bonds. It is more efficient to store energy on a per weight basis in chemical bonds. This is because it is hard to pack electrons into small volumes with low weight without the use of chemical bonds. The focus of the project was the development of new chemistries to enable DOE to meet its technical objectives for hydrogen storage using chemical hydrogen storage systems. We provided computational chemistry support in terms of thermodynamics, kinetics, and properties prediction in support of the experimental efforts of the DOE Center of Excellence for Chemical Hydrogen Storage. The goal of the Center is to store energy in chemical bonds involving hydrogen atoms. Once the hydrogen is stored in a set of X-H/Y-H bonds, the hydrogen has to be easily released and the depleted fuel regenerated very efficiently. This differs substantially from our current use of fossil fuel energy sources where the reactant is converted to energy plus CO 2 (coal) or CO 2 and H 2 O (gasoline, natural gas), which are released into the atmosphere. In future energy storage scenarios, the spent fuel will be captured and the energy storage medium regenerated. This places substantial additional constraints on the chemistry. The goal of the computational chemistry work was to reduce the time to design new materials and develop materials that meet the 2010 and 2015 DOE objectives in terms of weight percent, volume, release time, and regeneration ability

  19. Final Report: Main Group Element Chemistry in Service of Hydrogen Storage and Activation

    Energy Technology Data Exchange (ETDEWEB)

    David A. Dixon; Anthony J. Arduengo, III

    2010-09-30

    Replacing combustion of carbon-based fuels with alternative energy sources that have minimal environmental impact is one of the grand scientific and technological challenges of the early 21st century. Not only is it critical to capture energy from new, renewable sources, it is also necessary to store the captured energy efficiently and effectively for use at the point of service when and where it is needed, which may not be collocated with the collection site. There are many potential storage media but we focus on the storage of energy in chemical bonds. It is more efficient to store energy on a per weight basis in chemical bonds. This is because it is hard to pack electrons into small volumes with low weight without the use of chemical bonds. The focus of the project was the development of new chemistries to enable DOE to meet its technical objectives for hydrogen storage using chemical hydrogen storage systems. We provided computational chemistry support in terms of thermodynamics, kinetics, and properties prediction in support of the experimental efforts of the DOE Center of Excellence for Chemical Hydrogen Storage. The goal of the Center is to store energy in chemical bonds involving hydrogen atoms. Once the hydrogen is stored in a set of X-H/Y-H bonds, the hydrogen has to be easily released and the depleted fuel regenerated very efficiently. This differs substantially from our current use of fossil fuel energy sources where the reactant is converted to energy plus CO2 (coal) or CO2 and H2O (gasoline, natural gas), which are released into the atmosphere. In future energy storage scenarios, the spent fuel will be captured and the energy storage medium regenerated. This places substantial additional constraints on the chemistry. The goal of the computational chemistry work was to reduce the time to design new materials and develop materials that meet the 2010 and 2015 DOE objectives in terms of weight percent, volume, release time, and regeneration ability. This

  20. How to Organise the Chemistry Classroom in a Student-Active Mode

    NARCIS (Netherlands)

    Eilks, I.; Prins, G.T.; Lazarowitz, R.

    2013-01-01

    Everyday, chemistry teachers all over the world are challenged by the question: Should I explain the chemistry content in a frontal mode using the blackboard, or am I able to apply methods to activate the students learning on their own terms? This chapter is based on the premise that learning

  1. Robust active combustion control for the optimization of environmental performance and energy efficiency

    Science.gov (United States)

    Demayo, Trevor Nat

    Criteria pollutant regulations, climate change concerns, and energy conservation efforts are placing strict constraints in the design and operation of advanced, stationary combustion systems. To ensure minimal pollutant emissions and maximal efficiency at every instant of operation while preventing reaction blowout, combustion systems need to react and adapt in real-time to external changes. This study describes the development, demonstration, and evaluation of a multivariable feedback control system, designed to maximize the performance of natural gas-fired combustion systems. A feedback sensor array was developed to monitor reaction stability and measure combustion performance as a function of NOx, CO, and O, emissions. Acoustic and UV chemiluminescent emissions were investigated for use as stability indicators. Modulated signals of CH* and CO2* chemiluminescence were found to correlate well with the onset of lean blowout. A variety of emissions sensors were tested and evaluated, including conventional CEMS', micro-fuel cells, a zirconia NOx transducer, and a rapid response predictive NOx sensor based on UV flame chemiluminescence. A dual time-scale controller was designed to actively optimize operating conditions by maximizing a multivariable performance function J using a linear direction set search algorithm. The controller evaluated J under slow, quasi steady-state conditions, while dynamically monitoring the reaction zone at high speed for pre-blowout instabilities or boundary condition violations. To establish the input control parameters, two burner systems were selected: a 30 kW air-swirl, generic research burner, and a 120 kW scaled, fuel-staged, industrial boiler burner. The parameters, chosen to most affect burner performance, consisted of air swirl intensity and excess air for the generic burner, and fuel-staging and excess air for the boiler burner. A set of optimization parameters was also established to ensure efficient and deterministic

  2. Comparative Analysis of Click Chemistry Mediated Activity-Based Protein Profiling in Cell Lysates

    Directory of Open Access Journals (Sweden)

    Yinliang Yang

    2013-10-01

    Full Text Available Activity-based protein profiling uses chemical probes that covalently attach to active enzyme targets. Probes with conventional tags have disadvantages, such as limited cell permeability or steric hindrance around the reactive group. A tandem labeling strategy with click chemistry is now widely used to study enzyme targets in situ and in vivo. Herein, the probes are reacted in live cells, whereas the ensuing detection by click chemistry takes place in cell lysates. We here make a comparison of the efficiency of the activity-based tandem labeling strategy by using Cu(I-catalyzed and strain-promoted click chemistry, different ligands and different lysis conditions.

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

    Directory of Open Access Journals (Sweden)

    De Soete G.

    2006-11-01

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

  4. Experimental and numerical study of the active control of jets inside combustion chambers; Etude experimentale et numerique du controle actif de jets dans des chambres de combustion

    Energy Technology Data Exchange (ETDEWEB)

    Faivre, V

    2003-12-15

    Combustion instabilities occur when the flame heat release couples with the acoustic waves propagating in the combustion chamber. This phenomenon can lead to strong vibrations and noise but also, sometimes, to the complete combustion device failure. That is the reason why so many studies focus on the control of those instabilities. The method chosen in this study consists in an active control device (or set of actuators) having a strong effect on the mixing of the burner exhaust flow with the ambient fluid. The model configuration studied consists in a non reactive jet of air controlled by four small tangential secondary jets. Experiments have been carried out to optimize the control device geometry. The configuration identified as the most efficient, in terms of mixing enhancement, has been simulated through Large Eddy Simulations (LES). The objective of the numerical part of the present work is double. First, the numerical simulations provide a better understanding of the phenomena occurring when the control is on. Then, it is shown that LES can be considered as a tool to predict the effects of a control device on a flow. (author)

  5. Energy efficiency analyses of active flow aftertreatment systems for lean burn internal combustion engines

    International Nuclear Information System (INIS)

    Zheng Ming; Reader, Graham T.

    2004-01-01

    The use of three way catalytic converters in stoichiometric burn reciprocating internal combustion engine systems has proved to be an effective and efficient method for reducing the level of criteria pollutants. However, such passive systems have not been as successful in emission amelioration when combined with lean burn engines. This is because of the thermochemical nature of the exhaust gases generated by such engines. The high content of exhaust oxygen largely negates the effectiveness of three way catalytic converters, and the comparatively low temperature of the combusted gases means that supplemental energy has to be added to these gases to enable the converter to function correctly. This requirement severely reduces the energy efficiency of conventional passive aftertreatment systems. However, initial empirical studies have indicated that a possible means of improving the performance of aftertreatment devices when used with lean burn engine systems is to use active flow control of the exhaust gases. These results are reported in this paper. This concept has been further investigated by developing an energy efficiency analysis that enables the effects on aftertreatment performance of different gas flow rates, flow reversal frequencies and monolith solid properties to be investigated. Simulation results indicate that through active thermal management, the supplemental energy consumption can be drastically reduced

  6. Solar Energy Education. Renewable energy activities for chemistry and physics

    Energy Technology Data Exchange (ETDEWEB)

    1985-01-01

    Information on renewable energy sources is provided for students in this teachers' guide. With the chemistry and physics student in mind, solar energy topics such as absorber plate coatings for solar collectors and energy collection and storage methods are studied. (BCS)

  7. Characterization of Activated Cu/Mg/Al Hydrotalcites and Their Catalytic Activity in Toluene Combustion

    Czech Academy of Sciences Publication Activity Database

    Kovanda, F.; Jirátová, Květa; Rymeš, Jan; Koloušek, D.

    2001-01-01

    Roč. 18, - (2001), s. 71-80 ISSN 0169-1317 Institutional research plan: CEZ:AV0Z4072921 Keywords : hyrotalcites * layered double hydroxides * thermal decomposition Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.095, year: 2001

  8. Recent progress in understanding activity cliffs and their utility in medicinal chemistry.

    Science.gov (United States)

    Stumpfe, Dagmar; Hu, Ye; Dimova, Dilyana; Bajorath, Jürgen

    2014-01-09

    The activity cliff concept is of high relevance for medicinal chemistry. Recent studies are discussed that have further refined our understanding of activity cliffs and suggested different ways of exploiting activity cliff information. These include alternative approaches to define and classify activity cliffs in two and three dimensions, data mining investigations to systematically detect all possible activity cliffs, the introduction of computational methods to predict activity cliffs, and studies designed to explore activity cliff progression in medicinal chemistry. The discussion of these studies is complemented with new findings revealing the frequency of activity cliff formation when different molecular representations are used and the distribution of activity cliffs across different targets. Taken together, the results have a number of implications for the practice of medicinal chemistry.

  9. Manufacturing of Porous Al-Cr Preforms for Composite Reinforcing Using Microwave Activated Combustion Synthesis

    Directory of Open Access Journals (Sweden)

    Naplocha K.

    2014-10-01

    Full Text Available The combustion synthesis of porous skeletons (preforms of intermetallic Al–Cr compounds intended for metal matrix composite MMC reinforcing was developed. Mixture of Al and Cr powders with granularity of −10, −44, −74mm were cold isostatic pressed and next ignited and synthetized in a microwave reactor under argon atmosphere (microwave-activated combustion synthesis MACS. In order to ignite the synthesis, microwave energy was focused by a tuner on the specimen. The analysis of reaction temperature diagrams revealed that the synthesis proceeded through the following peritectic transformations: L(liquidus+Al7Cr→L+Al11Cr2→L+Al4Cr. Moreover, EDS and XRD examinations showed that the reaction proceeded between a solid Cr and a liquid Al to create a distinct envelope of Al9Cr4 on Cr particle which next extended and spreaded over the entire structure. The produced preforms with uniform structure and interconnected porosity were infiltrated with liquid Cu and Al alloy. The obtained composite materials exhibited high hardness, wear and distinct temperature oxidation resistance.

  10. Analysis of the Chemistry activities in 1st level of Spanish Bachelor Physics and Chemistry textbooks from a «Chemistry in context» approach

    Directory of Open Access Journals (Sweden)

    Andrea MARTÍNEZ DÍAZ

    2017-12-01

    Full Text Available In the last few years there are two worrying phenomenon happening in the science teaching environment, on one hand there are fewer students who choose science subjects at the time they’re optional and on the other hand the decreasing number of university students enrolled in science careers, if we add those two facts the results of the latest pisa tests, which show that students who choose these materials do not get satisfactory results, we have a hopeless outlook. One way of analysing the situation is exploring what happens in the classroom and in this context we find that the textbook is a resource used extensively in the teaching of Chemistry; one essential element for learning are planned activities in the classroom, so it seems essential to make a full review of them. The objectives in this study are: Analysing and classifying the activities contextualized of chemistry textbooks currently used in eleventh grade and comparing books from different educational laws based on their contextualized activities. For the review and classification of activities it uses a methodology of analysis for qualitative content. The results demonstrate the anecdotic presence of this kind of activities in textbooks; 8308 activities were reviewed of which only 6,46% corresponded to contextualized activities. In addition when comparing the different books, whether they are currently used or the ones from previous educational laws, we see that there is not a turnaround in what refers to the contextualized activities, as a significant variation is not observed in the percentages and therefore do not adapt well to curriculum changes. 

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

    International Nuclear Information System (INIS)

    Khan, Atika; Phillips, C.R.

    1988-01-01

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

  12. Effect of support on the catalytic activity of manganese oxide catalyts for toluene combustion

    International Nuclear Information System (INIS)

    Pozan, Gulin Selda

    2012-01-01

    Highlights: ► α-Al 2 O 3 , obtained from Bohmite, as a support for enhancing of the activity. ► The support material for catalytic oxidation. ► The manganese state and oxygen species effect on the catalytic combustion reaction. - Abstract: The aim of this work was to study combustion of toluene (1000 ppm) over MnO 2 modified with different supports. α-Al 2 O 3 and γ-Al 2 O 3 obtained from Boehmite, γ-Al 2 O 3 (commercial), SiO 2 , TiO 2 and ZrO 2 were used as commercial support materials. In view of potential interest of this process, the influence of support material on the catalytic performance was discussed. The deposition of 9.5MnO 2 was performed by impregnation over support. The catalysts were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), temperature programmed reduction and oxidation (TPR/TPO) and thermogravimetric analysis (TGA). The catalytic tests were carried out at atmospheric pressure in a fixed-bed flow reactor. 9.5MnO 2 /α-Al 2 O 3 (B) (synthesized from Boehmite) catalyst exhibits the highest catalytic activity, over which the toluene conversion was up to 90% at a temperature of 289 °C. Considering all the characterization and reaction data reported in this study, it was concluded that the manganese state and oxygen species played an important role in the catalytic activity.

  13. Post-combustion CO2 capture with activated carbons using fixed bed adsorption

    Science.gov (United States)

    Al Mesfer, Mohammed K.; Danish, Mohd; Fahmy, Yasser M.; Rashid, Md. Mamoon

    2018-03-01

    In the current work, the capturing of carbon dioxide from flue gases of post combustion emission using fixed bed adsorption has been carried out. Two grades of commercial activated carbon (sorbent-1 and sorbent-2) were used as adsorbent. Feed consisting of CO2 and N2 mixture was used for carrying out the adsorption. The influence of bed temperature, feed rate, equilibrium partial pressure and initial % CO2 in feed were considered for analyzing adsorption-desorption process. It was found that the total adsorption-desorption cycle time decreases with increased column temperature and feed rates. The time required to achieve the condition of bed saturation decreases with increased bed temperature and feed rates. The amount of CO2 adsorbed/Kg of the adsorbent declines with increased bed temperature with in studied range for sorbent-1 and sorbent-2. It was suggested that the adsorption capacity of the both the sorbents increases with increased partial pressure of the gas.

  14. Passive active neutron radioassay measurement uncertainty for combustible and glass waste matrices

    International Nuclear Information System (INIS)

    Blackwood, L.G.; Harker, Y.D.; Meachum, T.R.; Yoon, Woo Y.

    1997-01-01

    Using a modified statistical sampling and verification approach, total uncertainty of INEL's Passive Active Neutron (PAN) radioassay system was evaluated for combustible and glass content codes. Waste structure and content of 100 randomly selected drums in each the waste categories were computer modeled based on review of real-time radiography video tapes. Specific quantities of Pu were added to the drum models according to an experimental design. These drum models were then submitted to the Monte Carlo Neutron Photon code processing and subsequent calculations to produce simulated PAN system measurements. The reported Pu masses from the simulation runs were compared with the corresponding input masses. Analysis of the measurement errors produced uncertainty estimates. This paper presents results of the uncertainty calculations and compares them to previous reported results obtained for graphite waste

  15. Mechanically activated combustion synthesis of molybdenum borosilicides for ultrahigh-temperature structural applications

    Energy Technology Data Exchange (ETDEWEB)

    Esparza, Alan A.; Shafirovich, Evgeny, E-mail: eshafirovich2@utep.edu

    2016-06-15

    The thermal efficiency of gas-turbine power plants could be dramatically increased by the development of new structural materials based on molybdenum silicides and borosilicides, which can operate at temperatures higher than 1300 °C with no need for cooling. A major challenge, however, is to simultaneously achieve high oxidation resistance and acceptable mechanical properties at high temperatures. Materials based on Mo{sub 5}SiB{sub 2} (called T{sub 2}) phase are promising materials that offer favorable combinations of high temperature mechanical properties and oxidation resistance. In the present paper, T{sub 2} phase based materials have been obtained using mechanically activated self-propagating high-temperature synthesis (MASHS). Upon ignition, Mo/Si/B/Ti mixtures exhibited a self-sustained propagation of a spinning combustion wave, but the products were porous, contained undesired secondary phases, and had low oxidation resistance. The “chemical oven” technique has been successfully employed to fabricate denser and stronger Mo{sub 5}SiB{sub 2}–TiC, Mo{sub 5}SiB{sub 2}–TiB{sub 2}, and Mo–Mo{sub 5}SiB{sub 2}–Mo{sub 3}Si materials. Among them, Mo{sub 5}SiB{sub 2}–TiB{sub 2} material exhibits the best oxidation resistance at temperatures up to 1500 °C. - Highlights: • Mechanical activation has enabled combustion synthesis of Mo{sub 5}SiB{sub 2} based materials. • For the first time, the fabrication of Mo{sub 5}SiB{sub 2}–TiB{sub 2} material has been reported. • Among the obtained materials, Mo{sub 5}SiB{sub 2}–TiB{sub 2} exhibits the best oxidation resistance.

  16. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1976

    1976-01-01

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

  17. Liaison activities with the Institute of Physical Chemistry, Russian Academy of Sciences: FY 1997

    International Nuclear Information System (INIS)

    Delegard, C.H.; Elovich, R.J.

    1997-09-01

    The Institute of Physical Chemistry of the Russian Academy of Sciences is conducting a program of fundamental and applied research into the chemistry of the actinides and technetium in alkaline media such as are present in the Hanford Site underground waste storage tanks. This work is being coordinated and the results disseminated through a technical liaison maintained at the Pacific Northwest National Laboratory. The technical liaison is performing laboratory studies on plutonium chemistry in alkaline media. The activities at the Institute of Physical Chemistry and through the liaison are pursued to improve understanding of the chemical behavior of key long-lived radioactive elements under current operating and proposed tank waste processing conditions. Both activities are supported by the Efficient Separations and Processing Crosscutting Program under the Office of Science and Technology of the U.S. Department of Energy

  18. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John

    1994-01-01

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

  19. Research activities at nuclear research institute in water chemistry and corrosion

    International Nuclear Information System (INIS)

    Kysela, Jan

    2000-01-01

    Research activities at Nuclear Research Institute Rez (NRI) are presented. They are based on former heavy water reactor program and now on pressurized reactors VVER types which are operated on Czech republic. There is LVR-15 research reactor operated in NRI. The reactor and its experimental facilities is utilized for water chemistry and corrosion studies. NRI services for power plants involve water chemistry optimalization, radioactivity build-up, fuel corrosion and structural materials corrosion tests. (author)

  20. Active Combustion Control for Aircraft Gas-Turbine Engines-Experimental Results for an Advanced, Low-Emissions Combustor Prototype

    Science.gov (United States)

    DeLaat, John C.; Kopasakis, George; Saus, Joseph R.; Chang, Clarence T.; Wey, Changlie

    2012-01-01

    Lean combustion concepts for aircraft engine combustors are prone to combustion instabilities. Mitigation of instabilities is an enabling technology for these low-emissions combustors. NASA Glenn Research Center s prior activity has demonstrated active control to suppress a high-frequency combustion instability in a combustor rig designed to emulate an actual aircraft engine instability experience with a conventional, rich-front-end combustor. The current effort is developing further understanding of the problem specifically as applied to future lean-burning, very low-emissions combustors. A prototype advanced, low-emissions aircraft engine combustor with a combustion instability has been identified and previous work has characterized the dynamic behavior of that combustor prototype. The combustor exhibits thermoacoustic instabilities that are related to increasing fuel flow and that potentially prevent full-power operation. A simplified, non-linear oscillator model and a more physics-based sectored 1-D dynamic model have been developed to capture the combustor prototype s instability behavior. Utilizing these models, the NASA Adaptive Sliding Phasor Average Control (ASPAC) instability control method has been updated for the low-emissions combustor prototype. Active combustion instability suppression using the ASPAC control method has been demonstrated experimentally with this combustor prototype in a NASA combustion test cell operating at engine pressures, temperatures, and flows. A high-frequency fuel valve was utilized to perturb the combustor fuel flow. Successful instability suppression was shown using a dynamic pressure sensor in the combustor for controller feedback. Instability control was also shown with a pressure feedback sensor in the lower temperature region upstream of the combustor. It was also demonstrated that the controller can prevent the instability from occurring while combustor operation was transitioning from a stable, low-power condition to

  1. Impact of oxy-fuel combustion gases on mercury retention in activated carbons from a macroalgae waste: effect of water.

    Science.gov (United States)

    Lopez-Anton, M A; Ferrera-Lorenzo, N; Fuente, E; Díaz-Somoano, M; Suarez-Ruíz, I; Martínez-Tarazona, M R; Ruiz, B

    2015-04-01

    The aim of this study is to understand the different sorption behaviors of mercury species on activated carbons in the oxy-fuel combustion of coal and the effect of high quantities of water vapor on the retention process. The work evaluates the interactions between the mercury species and a series of activated carbons prepared from a macroalgae waste (algae meal) from the agar-agar industry in oxy-combustion atmospheres, focussing on the role that the high concentration of water in the flue gases plays in mercury retention. Two novel aspects are considered in this work (i) the impact of oxy-combustion gases on the retention of mercury by activated carbons and (ii) the performance of activated carbons prepared from biomass algae wastes for this application. The results obtained at laboratory scale indicate that the effect of the chemical and textural characteristics of the activated carbons on mercury capture is not as important as that of reactive gases, such as the SOx and water vapor present in the flue gas. Mercury retention was found to be much lower in the oxy-combustion atmosphere than in the O2+N2 (12.6% O2) atmosphere. However, the oxidation of elemental mercury (Hg0) to form oxidized mercury (Hg2+) amounted to 60%, resulting in an enhancement of mercury retention in the flue gas desulfurization units and a reduction in the amalgamation of Hg0 in the CO2 compression unit. This result is of considerable importance for the development of technologies based on activated carbon sorbents for mercury control in oxy-combustion processes. Copyright © 2015 Elsevier Ltd. All rights reserved.

  2. CASE METHOD. ACTIVE LEARNING METHODOLOGY TO ACQUIRE SIGNIFICANT IN CHEMISTRY

    Directory of Open Access Journals (Sweden)

    Clotilde Pizarro

    2015-09-01

    Full Text Available In this paper the methodology of cases in first year students of the Engineering Risk Prevention and Environment is applied. For this purpose a real case of contamination occurred at a school in the region of Valparaiso called "La Greda" is presented. If the application starts delivering an extract of the information collected from the media and they made a brief induction on the methodology to be applied. A plenary session, which is debate about possible solutions to the problem and establishing a relationship between the case and drives the chemistry program is then performed. Is concluded that the application of the case method, was a fruitful tool in yields obtained by students, since the percentage of approval was 75%, which is considerably higher than previous years.

  3. Fusing a Reversed and Informal Learning Scheme and Space: Student Perceptions of Active Learning in Physical Chemistry

    Science.gov (United States)

    Donnelly, Julie; Hernández, Florencio E.

    2018-01-01

    Physical chemistry students often have negative perceptions and low expectations for success in physical chemistry, attitudes that likely affect their performance in the course. Despite the results of several studies indicating increased positive perception of physical chemistry when active learning strategies are used, a recent survey of faculty…

  4. Advanced Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Holcomb, Gordon R. [NETL

    2013-03-11

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

  5. Mechanically Activated Combustion Synthesis of MoSi2-Based Composites

    Energy Technology Data Exchange (ETDEWEB)

    Shafirovich, Evgeny [Univ. of Texas, El Paso, TX (United States)

    2015-09-30

    The thermal efficiency of gas-turbine power plants could be dramatically increased by the development of new structural materials based on molybdenum silicides and borosilicides, which can operate at temperatures higher than 1300 °C with no need for cooling. A major challenge, however, is to simultaneously achieve high oxidation resistance and acceptable mechanical properties at high temperatures. One approach is based on the fabrication of MoSi2-Mo5Si3 composites that combine high oxidation resistance of MoSi2 and good mechanical properties of Mo5Si3. Another approach involves the addition of boron to Mo-rich silicides for improving their oxidation resistance through the formation of a borosilicate surface layer. In particular, materials based on Mo5SiB2 phase are promising materials that offer favorable combinations of high temperature mechanical properties and oxidation resistance. However, the synthesis of Mo-Si-B multi-phase alloys is difficult because of their extremely high melting temperatures. Mechanical alloying has been considered as a promising method, but it requires long milling times, leading to large energy consumption and contamination of the product by grinding media. In the reported work, MoSi2-Mo5Si3 composites and several materials based on Mo5SiB2 phase have been obtained by mechanically activated self-propagating high-temperature synthesis (MASHS). Short-term milling of Mo/Si mixture in a planetary mill has enabled a self-sustained propagation of the combustion front over the mixture pellet, leading to the formation of MoSi2-T1 composites. Combustion of Mo/Si/B mixtures for the formation of T2 phase becomes possible if the composition is designed for the addition of more exothermic reactions leading to the formation of MoB, TiC, or TiB2. Upon ignition, Mo/Si/B and Mo/Si/B/Ti mixtures exhibited spin combustion, but the products were porous, contained undesired secondary phases, and had low oxidation resistance. It has been shown that use of

  6. Pollution active control: a strategy for a clean and efficient combustion; Le controle actif des polluants: une strategie pour une combustion propre et efficace

    Energy Technology Data Exchange (ETDEWEB)

    Lacas, F. [CNRS Ecole Centrale de Paris, 75 (France). Laboratoire E.M2.C

    1996-12-31

    The active control NOx reduction concept has been applied on two burners (20 kW and 840 kW), using a rotary valve enabling an excitation in the 100 to 1000 Hz band, that can be mounted on existing appliances such as domestic or industrial boilers. NOx level reduction may reach 15 pc for the 20 kW burner, 25 pc for the 840 kW burner with domestic fuel oil and 35 pc for the 840 kW burner using pyridine doped domestic fuel oil. Mechanisms are detailed through flow visualization, and consist mainly in an annular vortex inducing a fuel/air pre-mixing favourable to a large decrease in NOx generation level and establishing a staged process such as in re-burning processes. The pulsed combustion process may be also combined to other pollution control systems

  7. Effect of support on the catalytic activity of manganese oxide catalyts for toluene combustion.

    Science.gov (United States)

    Pozan, Gulin Selda

    2012-06-30

    The aim of this work was to study combustion of toluene (1000ppm) over MnO(2) modified with different supports. α-Al(2)O(3) and γ-Al(2)O(3) obtained from Boehmite, γ-Al(2)O(3) (commercial), SiO(2), TiO(2) and ZrO(2) were used as commercial support materials. In view of potential interest of this process, the influence of support material on the catalytic performance was discussed. The deposition of 9.5MnO(2) was performed by impregnation over support. The catalysts were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), temperature programmed reduction and oxidation (TPR/TPO) and thermogravimetric analysis (TGA). The catalytic tests were carried out at atmospheric pressure in a fixed-bed flow reactor. 9.5MnO(2)/α-Al(2)O(3)(B) (synthesized from Boehmite) catalyst exhibits the highest catalytic activity, over which the toluene conversion was up to 90% at a temperature of 289°C. Considering all the characterization and reaction data reported in this study, it was concluded that the manganese state and oxygen species played an important role in the catalytic activity. Copyright © 2012 Elsevier B.V. All rights reserved.

  8. Enhanced activity and stability of La-doped CeO2 monolithic catalysts for lean-oxygen methane combustion.

    Science.gov (United States)

    Zhu, Wenjun; Jin, Jianhui; Chen, Xiao; Li, Chuang; Wang, Tonghua; Tsang, Chi-Wing; Liang, Changhai

    2018-02-01

    Effective utilization of coal bed methane is very significant for energy utilization and environment protection. Catalytic combustion of methane is a promising way to eliminate trace amounts of oxygen in the coal bed methane and the key to this technology is the development of high-efficiency catalysts. Herein, we report a series of Ce 1-x La x O 2-δ (x = 0-0.8) monolithic catalysts for the catalytic combustion of methane, which are prepared by citric acid method. The structural characterization shows that the substitution of La enhance the oxygen vacancy concentration and reducibility of the supports and promote the migration of the surface oxygen, as a result improve the catalytic activity of CeO 2 . M-Ce 0.8 La 0.2 O 2-δ (monolithic catalyst, Ce 0.8 La 0.2 O 2-δ coated on cordierite honeycomb) exhibits outstanding activity for methane combustion, and the temperature for 10 and 90% methane conversion are 495 and 580 °C, respectively. Additionally, Ce 0.8 La 0.2 O 2-δ monolithic catalyst presents excellent stability at high temperature. These Ce 1-x La x O 2-δ monolithic materials with a small amount of La incorporation therefore show promises as highly efficient solid solution catalysts for lean-oxygen methane combustion. Graphical abstract ᅟ.

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

    Science.gov (United States)

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

    2009-04-01

    It is shown that contamination of leached chernozems by combustion products of petroleum gas favors changes in the biological activity of the soil: the number of hydrocarbon-oxidizing bacteria and micromycetes has increased, as well as the activity of catalase and lipase and phytotoxicity. Bromopsis inermis Leys used as a phytoameliorant has accelerated the destruction of hydrocarbons in the rhizosphere. The benzpyrene concentration in plants on contaminated soils considerably exceeds its background concentration.

  10. Evaluation of coal combustion byproducts as soil liming materials - their influence on soil pH and enzyme activities

    Energy Technology Data Exchange (ETDEWEB)

    McCarty, G W; Siddaramappa, R; Wright, R J; Codling, E E; Gao, G

    1994-03-01

    To evaluate coal combustion byproducts as liming materials and address issues related to soil quality, the authors compared the influence of different amounts of four combustion byproducts (fly ash and bed ash from a fluidized bed combustion furnace, lime-injected multistage burner residue, and spray dryer residue) and CaCO[sub 3] on soil pH and activities of urease, phosphatase, arylsulfatase, and dehydrogenase in an acidic soil. Studies comparing the influence of the combustion byproducts and CaCO[sub 3] on soil pH showed that on weight basis of application, substantial differences were observed in the ability of these materials to influence soil pH but that such differences decreased markedly after the data were transformed to a CaCO[sub 3] equivalent basis of application. Analysis of covariance for these transformed data indicated that whereas the liming abilities of fly ash and CaCO[sub 3] were not significantly different when compared on the CaCO[sub 3] equivalent basis, those of bed ash, multistage burner residue, and spray dryer residue were less than that of CaCO[sub 3]. Studies comparing the influence of the byproducts and CaCO[sub 3] on soil enzyme activities showed that the effect of these liming materials on the enzyme activities studied was largely due to their influence on soil pH. These studies showed that the combustion byproducts tested functioned as soil liming materials in a manner similar to that of CaCO[sub 3] and seemed to have little adverse effect on soil quality.

  11. Plume-exit modeling to determine cloud condensation nuclei activity of aerosols from residential biofuel combustion

    Science.gov (United States)

    Mena, Francisco; Bond, Tami C.; Riemer, Nicole

    2017-08-01

    Residential biofuel combustion is an important source of aerosols and gases in the atmosphere. The change in cloud characteristics due to biofuel burning aerosols is uncertain, in part, due to the uncertainty in the added number of cloud condensation nuclei (CCN) from biofuel burning. We provide estimates of the CCN activity of biofuel burning aerosols by explicitly modeling plume dynamics (coagulation, condensation, chemical reactions, and dilution) in a young biofuel burning plume from emission until plume exit, defined here as the condition when the plume reaches ambient temperature and specific humidity through entrainment. We found that aerosol-scale dynamics affect CCN activity only during the first few seconds of evolution, after which the CCN efficiency reaches a constant value. Homogenizing factors in a plume are co-emission of semi-volatile organic compounds (SVOCs) or emission at small particle sizes; SVOC co-emission can be the main factor determining plume-exit CCN for hydrophobic or small particles. Coagulation limits emission of CCN to about 1016 per kilogram of fuel. Depending on emission factor, particle size, and composition, some of these particles may not activate at low supersaturation (ssat). Hygroscopic Aitken-mode particles can contribute to CCN through self-coagulation but have a small effect on the CCN activity of accumulation-mode particles, regardless of composition differences. Simple models (monodisperse coagulation and average hygroscopicity) can be used to estimate plume-exit CCN within about 20 % if particles are unimodal and have homogeneous composition, or when particles are emitted in the Aitken mode even if they are not homogeneous. On the other hand, if externally mixed particles are emitted in the accumulation mode without SVOCs, an average hygroscopicity overestimates emitted CCN by up to a factor of 2. This work has identified conditions under which particle populations become more homogeneous during plume processes. This

  12. Active control of combustion instabilities in low NO{sub x} gas turbines

    Energy Technology Data Exchange (ETDEWEB)

    Zinn, B.T.; Neumeier, Y. [Georgia Institute of Technology, Atlanta, GA (United States)

    1995-10-01

    This 3-year research program was initiated in September, 1995, to investigate active control of detrimental combustion instabilities in low NO{sub x} gas turbines (LNGT), which burn natural gas in a lean premixed mode to reduce NO{sub x} emissions. The program will investigate the mechanisms that drive these instabilities. Furthermore, it will study active control systems (ACS) that can effectively prevent the onset of such instabilities and/or reduce their amplitudes to acceptable levels. An understanding of the driving mechanisms will not only guide the development of effective ACS for LNGT but may also lead to combustor design changes (i.e., passive control) that will fully or partially resolve the problem. Initial attempts to stabilize combustors (i.e., chemical rockets) by ACS were reported more than 40 years ago, but were unsuccessful due to lack of adequate sensors, electronics, and actuators for performing the needed control actions. Progress made in recent years in sensor and actuator technology, electronics, and control theory has rekindled interest in developing ACS for unstable combustors. While initial efforts in this area, which focused on active control of instabilities in air breathing combustors, have demonstrated the considerable potential of active control, they have also indicated that more effective observers, controllers, and actuators are needed for practical applications. Considerable progress has been made in the observer and actuator areas by the principal investigators of this program during the past 2 years under an AFOSR program. The developed observer is based upon wavelets theory, and can identify the amplitudes, frequencies, and phases of the five most dominant combustor modes in (virtually) real time. The developed actuator is a fuel injector that uses a novel magneto-strictive material to modulate the fuel flow rate into the combustor.

  13. Laboratory Activity Worksheet to Train High Order Thinking Skill of Student on Surface Chemistry Lecture

    Science.gov (United States)

    Yonata, B.; Nasrudin, H.

    2018-01-01

    A worksheet has to be a set with activity which is help students to arrange their own experiments. For this reason, this research is focused on how to train students’ higher order thinking skills in laboratory activity by developing laboratory activity worksheet on surface chemistry lecture. To ensure that the laboratory activity worksheet already contains aspects of the higher order thinking skill, it requires theoretical and empirical validation. From the data analysis results, it shows that the developed worksheet worth to use. The worksheet is worthy of theoretical and empirical feasibility. This conclusion is based on the findings: 1) Assessment from the validators about the theoretical feasibility aspects in the category is very feasible with an assessment range of 95.24% to 97.92%. 2) students’ higher thinking skill from N Gain values ranges from 0.50 (enough) to 1.00 (high) so it can be concluded that the laboratory activity worksheet on surface chemistry lecture is empirical in terms of worth. The empirical feasibility is supported by the responses of the students in very reasonable categories. It is expected that the laboratory activity worksheet on surface chemistry lecture can train students’ high order thinking skills for students who program surface chemistry lecture.

  14. Effluents of toxic and corrosion-active components at coke-oven gas combustion

    International Nuclear Information System (INIS)

    Mikhajlov, G.S.; Afanas'ev, Yu.O.; Plotnikov, V.A.; Iskhakov, Kh.A.; Tikhov, S.D.; Gaus, A.I.; Nagibin, P.D.

    1996-01-01

    Various modes of coke-coal gas combustion are studied and dependence of concentration of nitrogen sulfur oxides and carbon monoxides originating in smoke gases on the air excess delivered to the combustion chamber is determined. The lowest summary releases of hazardous substances are achieved by the excess air coefficients α > 1.2 relative to modes of coke-coal gas combustion with smoke gases recirculation. The quantity of sulfur does not depend on the mode of fuel combustion and is determined by the total sulfur content in the fuel. To prevent the corrosion of low-temperature heat exchange surfaces it is necessary to heat up the feed-water up to the temperature exceeding the temperature of the coal gases dew point by 10-15 deg C. 10 refs

  15. Mathematical Modeling in Combustion Science

    CERN Document Server

    Takeno, Tadao

    1988-01-01

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

  16. Contribution to the Chemistry of Plasma-Activated Water

    Science.gov (United States)

    Julák, J.; Hujacová, A.; Scholtz, V.; Khun, J.; Holada, K.

    2018-01-01

    Plasma-activated water (PAW) was prepared by exposure to nonthermal plasma produced by a positive dc corona discharge in a transient spark regime. The activation of water was performed in atmosphere of various surrounding gases (air, nitrogen, carbon dioxide, and argon). This PAW retains its biological activity, measured on the mouse neuroblastoma cells culture, even after storage for more than one year. The highest hydrogen peroxide content was found for PAWs prepared in the atmospheres of argon or carbon dioxide, whereas the PAWs prepared in air and nitrogen exhibited lower hydrogen peroxide content. The acidity of PAWs mediated by nitric and nitrous acid formation displayed an opposite trend. It is concluded that the long-lasting biological effect of PAW is mediated by hydrogen peroxide in acid milieu only, whereas other possible active components decompose rapidly.

  17. Simple glycolipids of microbes: Chemistry, biological activity and metabolic engineering

    Directory of Open Access Journals (Sweden)

    Ahmad Mohammad Abdel-Mawgoud

    2018-03-01

    Full Text Available Glycosylated lipids (GLs are added-value lipid derivatives of great potential. Besides their interesting surface activities that qualify many of them to act as excellent ecological detergents, they have diverse biological activities with promising biomedical and cosmeceutical applications. Glycolipids, especially those of microbial origin, have interesting antimicrobial, anticancer, antiparasitic as well as immunomodulatory activities. Nonetheless, GLs are hardly accessing the market because of their high cost of production. We believe that experience of metabolic engineering (ME of microbial lipids for biofuel production can now be harnessed towards a successful synthesis of microbial GLs for biomedical and other applications. This review presents chemical groups of bacterial and fungal GLs, their biological activities, their general biosynthetic pathways and an insight on ME strategies for their production.

  18. Chemistry Technology

    Data.gov (United States)

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Rullaud, M

    2004-06-01

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

  20. Chemistry and Structure-Activity Relationships of Psychedelics.

    Science.gov (United States)

    Nichols, David E

    2018-01-01

    This chapter will summarize structure-activity relationships (SAR) that are known for the classic serotonergic hallucinogens (aka psychedelics), focusing on the three chemical types: tryptamines, ergolines, and phenethylamines. In the brain, the serotonin 5-HT 2A receptor plays a key role in regulation of cortical function and cognition, and also appears to be the principal target for hallucinogenic/psychedelic drugs such as LSD. It is one of the most extensively studied of the 14 known types of serotonin receptors. Important structural features will be identified for activity and, where possible, those that the psychedelics have in common will be discussed. Because activation of the 5-HT 2A receptor is the principal mechanism of action for psychedelics, compounds with 5-HT 2A agonist activity generally are quickly discarded by the pharmaceutical industry. Thus, most of the research on psychedelics can be related to activation of 5-HT 2A receptors. Therefore, much of the discussion will include not only clinical or anecdotal studies, but also will consider data from animal models as well as a certain amount of molecular pharmacology where it is known.

  1. Students' Perceptions of Teaching in Context-based and Traditional Chemistry Classrooms: Comparing content, learning activities, and interpersonal perspectives

    Science.gov (United States)

    Overman, Michelle; Vermunt, Jan D.; Meijer, Paulien C.; Bulte, Astrid M. W.; Brekelmans, Mieke

    2014-07-01

    Context-based curriculum reforms in chemistry education are thought to bring greater diversity to the ways in which chemistry teachers organize their teaching. First and foremost, students are expected to perceive this diversity. However, empirical research on how students perceive their teacher's teaching in context-based chemistry classrooms, and whether this teaching differs from traditional chemistry lessons, is scarce. This study aims to develop our understanding of what teaching looks like, according to students, in context-based chemistry classrooms compared with traditional chemistry classrooms. As such, it might also provide a better understanding of whether teachers implement and attain the intentions of curriculum developers. To study teacher behaviour we used three theoretical perspectives deemed to be important for student learning: a content perspective, a learning activities perspective, and an interpersonal perspective. Data were collected from 480 students in 24 secondary chemistry classes in the Netherlands. Our findings suggest that, according to the students, the changes in teaching in context-based chemistry classrooms imply a lessening of the emphasis on fundamental chemistry and the use of a teacher-centred approach, compared with traditional chemistry classrooms. However, teachers in context-based chemistry classrooms seem not to display more 'context-based' teaching behaviour, such as emphasizing the relation between chemistry, technology, and society and using a student-centred approach. Furthermore, students in context-based chemistry classrooms perceive their teachers as having less interpersonal control and showing less affiliation than teachers in traditional chemistry classrooms. Our findings should be interpreted in the context of former and daily experiences of both teachers and students. As only chemistry is reformed in the schools in which context-based chemistry is implemented, it is challenging for both students and teachers to

  2. The Effects of 5E Inquiry Learning Activities on Achievement and Attitude toward Chemistry

    Science.gov (United States)

    Sen, Senol; Oskay, Ozge Ozyalcin

    2017-01-01

    The purpose of this study was to investigate the effects of 5E inquiry learning activities on students' achievement, attitude toward chemistry. A non-equivalent control group design was used to the quasi-experimental research in this study. A total of 34 (8 males and 26 females) undergraduates in Turkey voluntarily participated in the study. The…

  3. Structure activity study on the quinone/quinone methide chemistry of flavonoids

    NARCIS (Netherlands)

    Awad, H.M.; Boersma, M.G.; Boeren, S.; Bladeren, van P.J.; Vervoort, J.; Rietjens, I.M.C.M.

    2001-01-01

    A structure-activity study on the quinone/quinone methide chemistry of a series of 3',4'-dihydroxyflavonoids was performed. Using the glutathione trapping method followed by HPLC, 1H NMR, MALDI-TOF, and LC/MS analysis to identify the glutathionyl adducts, the chemical behavior of the

  4. Transforming the Organic Chemistry Lab Experience: Design, Implementation, and Evaluation of Reformed Experimental Activities--REActivities

    Science.gov (United States)

    Collison, Christina G.; Kim, Thomas; Cody, Jeremy; Anderson, Jason; Edelbach, Brian; Marmor, William; Kipsang, Rodgers; Ayotte, Charles; Saviola, Daniel; Niziol, Justin

    2018-01-01

    Reformed experimental activities (REActivities) are an innovative approach to the delivery of the traditional material in an undergraduate organic chemistry laboratory. A description of the design and implementation of REActivities at both a four- and two-year institution is discussed. The results obtained using a reformed teaching observational…

  5. Chemistry and Biological Activities of Flavonoids: An Overview

    Science.gov (United States)

    Kumar, Shashank; Pandey, Abhay K.

    2013-01-01

    There has been increasing interest in the research on flavonoids from plant sources because of their versatile health benefits reported in various epidemiological studies. Since flavonoids are directly associated with human dietary ingredients and health, there is need to evaluate structure and function relationship. The bioavailability, metabolism, and biological activity of flavonoids depend upon the configuration, total number of hydroxyl groups, and substitution of functional groups about their nuclear structure. Fruits and vegetables are the main dietary sources of flavonoids for humans, along with tea and wine. Most recent researches have focused on the health aspects of flavonoids for humans. Many flavonoids are shown to have antioxidative activity, free radical scavenging capacity, coronary heart disease prevention, hepatoprotective, anti-inflammatory, and anticancer activities, while some flavonoids exhibit potential antiviral activities. In plant systems, flavonoids help in combating oxidative stress and act as growth regulators. For pharmaceutical purposes cost-effective bulk production of different types of flavonoids has been made possible with the help of microbial biotechnology. This review highlights the structural features of flavonoids, their beneficial roles in human health, and significance in plants as well as their microbial production. PMID:24470791

  6. Chemistry and Biological Activities of Flavonoids: An Overview

    Directory of Open Access Journals (Sweden)

    Shashank Kumar

    2013-01-01

    Full Text Available There has been increasing interest in the research on flavonoids from plant sources because of their versatile health benefits reported in various epidemiological studies. Since flavonoids are directly associated with human dietary ingredients and health, there is need to evaluate structure and function relationship. The bioavailability, metabolism, and biological activity of flavonoids depend upon the configuration, total number of hydroxyl groups, and substitution of functional groups about their nuclear structure. Fruits and vegetables are the main dietary sources of flavonoids for humans, along with tea and wine. Most recent researches have focused on the health aspects of flavonoids for humans. Many flavonoids are shown to have antioxidative activity, free radical scavenging capacity, coronary heart disease prevention, hepatoprotective, anti-inflammatory, and anticancer activities, while some flavonoids exhibit potential antiviral activities. In plant systems, flavonoids help in combating oxidative stress and act as growth regulators. For pharmaceutical purposes cost-effective bulk production of different types of flavonoids has been made possible with the help of microbial biotechnology. This review highlights the structural features of flavonoids, their beneficial roles in human health, and significance in plants as well as their microbial production.

  7. Applications of neutron activation analysis in chemistry and pollution fields

    International Nuclear Information System (INIS)

    May, S.

    1978-01-01

    Some examples of applications of activation analysis are given such as: chemical analysis of precious metals, nuclear graphite and hydrocarbons; control of pollution of water and seawater, analysis of food and seafood, atmospheric, dust and hair for determination of impurities [fr

  8. Fuel Combustion and Engine Performance | Transportation Research | NREL

    Science.gov (United States)

    Fuel Combustion and Engine Performance Fuel Combustion and Engine Performance Photo of a gasoline emissions in advanced engine technologies. Photo by Dennis Schroeder, NREL NREL's combustion research and combustion and engine research activities include: Developing experimental and simulation research platforms

  9. Study the active site of flavonoid applying radiation chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Wu Jilan; Sun Gang; Zhang Fugen; He Yongke; Li Jiuqiang [Department of Technical Physics, Peking Univ., Beijing (China)

    2000-03-01

    Flavonoid are a large and important class of naturally occurring, low molecular weight benzo-{gamma}-pyrone derivatives which are reported to have a myriad of biological activities, but the study on the active sites of flavonoids is still ambiguous. In this paper, rutin, quercetin and baicalin have been selected as model compounds. It is well known that rutin is used in inhibiting arteriosclerosis and baicalin is antibacterial and antiviral. They have similar basic structure, but their medicinal properties are so different, why? As most flavonoids contain carbonyl group, which can capture electron effectively, we predict that flavonoids can capture electron to form radical anion. The formation of anion radical may have influence on the mitochondrial electron transport chain. The difference in the ability of forming anion radical may cause the difference in their medicinal effects. (author)

  10. Study the active site of flavonoid applying radiation chemistry

    International Nuclear Information System (INIS)

    Wu Jilan; Sun Gang; Zhang Fugen; He Yongke; Li Jiuqiang

    2000-01-01

    Flavonoid are a large and important class of naturally occurring, low molecular weight benzo-γ-pyrone derivatives which are reported to have a myriad of biological activities, but the study on the active sites of flavonoids is still ambiguous. In this paper, rutin, quercetin and baicalin have been selected as model compounds. It is well known that rutin is used in inhibiting arteriosclerosis and baicalin is antibacterial and antiviral. They have similar basic structure, but their medicinal properties are so different, why? As most flavonoids contain carbonyl group, which can capture electron effectively, we predict that flavonoids can capture electron to form radical anion. The formation of anion radical may have influence on the mitochondrial electron transport chain. The difference in the ability of forming anion radical may cause the difference in their medicinal effects. (author)

  11. The synthesis of active pharmaceutical ingredients (APIs using continuous flow chemistry

    Directory of Open Access Journals (Sweden)

    Marcus Baumann

    2015-07-01

    Full Text Available The implementation of continuous flow processing as a key enabling technology has transformed the way we conduct chemistry and has expanded our synthetic capabilities. As a result many new preparative routes have been designed towards commercially relevant drug compounds achieving more efficient and reproducible manufacture. This review article aims to illustrate the holistic systems approach and diverse applications of flow chemistry to the preparation of pharmaceutically active molecules, demonstrating the value of this strategy towards every aspect ranging from synthesis, in-line analysis and purification to final formulation and tableting. Although this review will primarily concentrate on large scale continuous processing, additional selected syntheses using micro or meso-scaled flow reactors will be exemplified for key transformations and process control. It is hoped that the reader will gain an appreciation of the innovative technology and transformational nature that flow chemistry can leverage to an overall process.

  12. The synthesis of active pharmaceutical ingredients (APIs) using continuous flow chemistry.

    Science.gov (United States)

    Baumann, Marcus; Baxendale, Ian R

    2015-01-01

    The implementation of continuous flow processing as a key enabling technology has transformed the way we conduct chemistry and has expanded our synthetic capabilities. As a result many new preparative routes have been designed towards commercially relevant drug compounds achieving more efficient and reproducible manufacture. This review article aims to illustrate the holistic systems approach and diverse applications of flow chemistry to the preparation of pharmaceutically active molecules, demonstrating the value of this strategy towards every aspect ranging from synthesis, in-line analysis and purification to final formulation and tableting. Although this review will primarily concentrate on large scale continuous processing, additional selected syntheses using micro or meso-scaled flow reactors will be exemplified for key transformations and process control. It is hoped that the reader will gain an appreciation of the innovative technology and transformational nature that flow chemistry can leverage to an overall process.

  13. Investigation of combustion and gasification mechanically activated coal fuel of various degrees of metamorphism on the 5-MW heat setup

    Directory of Open Access Journals (Sweden)

    Butakov Evgenii

    2017-01-01

    Full Text Available The technology of mechanochemical activation of combustion and gasification of coals is of unquestionable scientific and technical interest; an increase in chemical activity of coals at their mechanically activated grinding is associated with an increase in the rate of reaction of the coal substance. To study the combustion and gasification process, the reactor model with tangential scroll input of coal-air suspension and cylindrical reaction chamber was used at the 5-MW thermal power plant. The experiments were carried out with coals of G and SS grades of the Kuznetsk deposit. Coal, ground after the boiler’s standard mill, is fed by a feeder to the disintegrator; then, it enters the scroll inlet of the reactor burner with transport air. The suspension is ignited by a gas igniting device with the power of 50 kW. In experiments on combustion and gasification of fine coal performed at the temperature in the reaction chamber of 1000-1300°C and air excess α = 0.5-0.7, the data on concentrations of CO and H2 were obtained: for coal of grade G, concentration of H2 was 6.3% and concentration of CO was 15.3%; for coal of SS grade, concentration of H2 was 9.5% and concentration of CO was 15.6%.

  14. Thapsigargin, origin, chemistry, structure-activity relationships and prodrug development

    DEFF Research Database (Denmark)

    Doan, Thi Quynh Nhu; Christensen, Søren Brøgger

    2015-01-01

    Thapsigargin was originally isolated from the roots of the Mediterranean umbelliferous plant Thapsia garganica in order to characterize the skin irritant principle. The biological activity was related to the subnanomolar affinity for the sarco-endoplasmic reticulum calcium ATPase. Prolonged......) targeted against prostate cancer. Conjugation to a peptide, which only is a substrate for prostate specific membrane antigen enabled development of a prodrug (G202), which is targeted towards a number of cancer diseases including hepatocellular carcinoma. G202 has under the name of mipsagargin in clinical...

  15. Coriander (Coriandrum sativum L.) essential oil: Chemistry and biological activity

    OpenAIRE

    Mandal, Shyamapada; Mandal, Manisha

    2015-01-01

    Coriandrum sativum L. (C. sativum) is one of the most useful essential oil bearing spices as well as medicinal plants, belonging to the family Umbelliferae/Apiaceae. The leaves and seeds of the plant are widely used in folk medicine in addition to its use as a seasoning in food preparation. The C. sativum essential oil and extracts possess promising antibacterial, antifungal and anti-oxidative activities as various chemical components in different parts of the plant, which thus play a great r...

  16. Test plan for measuring ventilation rates and combustible gas levels in TWRS active catch tanks

    Energy Technology Data Exchange (ETDEWEB)

    NGUYEN, D.M.

    1999-05-20

    The purpose of this test is to provide an initial screening of combustible gas concentrations in catch tanks that currently are operated by Tank Waste Remediation System (TWRS). The data will be used to determine whether or not additional data will be needed for closure of the flammable gas unreviewed safety question for these facilities. This test will involve field measurements of ammonia, organic vapor, and total combustible gas levels in the headspace of the catch tanks. If combustible gas level in a tank exceeds an established threshold, gas samples will be collected in SUMMA canisters for more extensive laboratory analysis. In addition, ventilation rates of some catch tanks will be measured to evaluate removal of flammable gas by air flow through the tanks.

  17. Test plan for measuring ventilation rates and combustible gas levels in RPP active catch tanks

    Energy Technology Data Exchange (ETDEWEB)

    NGUYEN, D.M.

    1999-06-03

    The purpose of this test is to provide an initial screening of combustible gas concentrations in catch tanks that currently are operated by River Protection Project (RPP). The data will be used to determine whether or not additional data will be needed for closure of the flammable gas unreviewed safety question for these facilities. This test will involve field measurements of ammonia, organic vapor, and total combustible gas levels in the headspace of the catch tanks. If combustible gas level in a tank exceeds an established threshold, gas samples will be collected in SUMMA canisters for more extensive laboratory analysis. In addition, ventilation rates of some catch tanks will be measured to evaluate removal of flammable gas by air flow through the tanks.

  18. Coriander (Coriandrum sativum L. essential oil: Chemistry and biological activity

    Directory of Open Access Journals (Sweden)

    Shyamapada Mandal

    2015-06-01

    Full Text Available Coriandrum sativum L. (C. sativum is one of the most useful essential oil bearing spices as well as medicinal plants, belonging to the family Umbelliferae/Apiaceae. The leaves and seeds of the plant are widely used in folk medicine in addition to its use as a seasoning in food preparation. The C. sativum essential oil and extracts possess promising antibacterial, antifungal and anti-oxidative activities as various chemical components in different parts of the plant, which thus play a great role in maintaining the shelf-life of foods by preventing their spoilage. This edible plant is non-toxic to humans, and the C. sativum essential oil is thus used in different ways, viz., in foods (like flavouring and preservatives and in pharmaceutical products (therapeutic action as well as in perfumes (fragancias and lotions. The current updates on the usefulness of the plant C. sativum are due to scientific research published in different web-based journals.

  19. Determination of iodine in diverse botanical and dietary matrices by pre-irradiation combustion followed by neutron activation analysis

    International Nuclear Information System (INIS)

    Norman, B.R.; Iyengar, G.V.

    1994-01-01

    The method chosen for determination of iodine in this investigation is an extension of an existing analytical technique to food samples which was developed for environmental samples. The method is based on pre-irradiation combustion of the sample to liberate iodine, trapping the iodine on charcoal, and quantitating the element by neutron activation analysis (NAA). Existing botanical and dietary reference materials were used to check the validity of the method. Several mixed diet samples with high fat content from the U.S. Total Diet Study and composites of cereals with both low and high iodine content were analyzed. This method of pre-irradiation combustion followed by NAA has been shown to be a viable technique for the determination of iodine in dietary samples. However, with a detection limit of about 50 ng of iodine, large amounts of sample (> 1 g) are typically required for each determination. (orig.)

  20. Design performances and chemistry program supporting the FA3 /UKEPRTM activity management: experience and modeling balance

    International Nuclear Information System (INIS)

    Tigeras, Arancha; Clinard, Marie-Helene; Chahma, Farah; Jolivet, Patrick; Bremnes, Oystein; Bachet, Martin

    2012-09-01

    EPR TM reactor accounts with an evolutionary design that provides the appropriate features to ensure the safety implementation of different chemistry and radiochemistry options. ALARP considerations have been taken into account by EDF-AREVA for making decisions relating to the activity management in the primary circuit of Flamanville 3-EPR TM and UK-EPR TM reactors. The water chemistry and radiochemistry concept implemented in FA3-EPR TM and UK-EPR TM reactors is the result of an exhaustive selection process based on the balance between the theoretical developments, the laboratory tests and the NPP experience concerning the diverse areas associated with: - The source term identification and characterization: The understanding of the origin and behavior of fission products/actinides, corrosion products and activation products constitutes the essential support for the selection of suitable parameters and criteria to monitor the system integrity, the tramp-uranium and radiation build-up and the discharges to the environment. - The source term quantification: The balance between the baseline data from PWR forerunner reactors and the assessments performed by modeling constitutes the major demonstration of the source term accuracy. This approach ensures that activity risks are understood and can be managed with the EPR TM design options. - The EPR TM design options evaluation: The sensitivity analysis results show the influence of the fuel management, the material choice and the chemistry conditioning on several domains such as the activity coolant and the fuel/ex-core crud management. EDF-AREVA demonstrates by means of this process that the design, sizing and chemistry conditioning of EPR TM reactor primary circuit are adapted to guarantee the correct activity management. The methodology developed, based on qualitative and quantitative assessments, intends to propose to the Nuclear Industry several alternatives for evaluating and/or improving the compliance with

  1. An active-learning assignment requiring pharmacy students to write medicinal chemistry examination questions.

    Science.gov (United States)

    Kolluru, Srikanth

    2012-08-10

    To implement and assess the effectiveness of an assignment requiring doctor of pharmacy (PharmD) students to write examination questions for the medicinal chemistry sections of a pharmacotherapeutics course. Students were divided into groups of 5-6 and given detailed instructions and grading rubrics for writing multiple-choice examination questions on medicinal chemistry topics. The compiled student-written questions for each examination were provided to the entire class as a study aid. Approximately 5% of the student-written questions were used in course examinations. Student appreciation of and performance in the medicinal chemistry portion of the course was significantly better than that of the previous year's class. Also, students' responses on a qualitative survey instrument indicated that the assignment provided students' guidance on which concepts to focus on, helped them retain knowledge better, and fostered personal exploration of the content, which led to better performance on examinations. Adding an active-learning assignment in which students write examination questions for the medicinal chemistry portion of a pharmacotherapeutics course was an effective means of increasing students engagement in the class and knowledge of the course material.

  2. The application of click chemistry in the synthesis of agents with anticancer activity

    Directory of Open Access Journals (Sweden)

    Ma N

    2015-03-01

    Full Text Available Nan Ma,1–3 Ying Wang,3 Bing-Xin Zhao,3 Wen-Cai Ye,1,3 Sheng Jiang2 1Department of Natural Medicinal Chemistry, China Pharmaceutical University, Nanjing, 2Laboratory of Medicinal Chemistry, Guangzhou Institute of Biomedicine and Health, Chinese Academy of Sciences, 3Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy, Jinan University, Guangzhou, People’s Republic of China Abstract: The copper(I-catalyzed 1,3-dipolar cycloaddition between alkynes and azides (click chemistry to form 1,2,3-triazoles is the most popular reaction due to its reliability, specificity, and biocompatibility. This reaction has the potential to shorten procedures, and render more efficient lead identification and optimization procedures in medicinal chemistry, which is a powerful modular synthetic approach toward the assembly of new molecular entities and has been applied in anticancer drugs discovery increasingly. The present review focuses mainly on the applications of this reaction in the field of synthesis of agents with anticancer activity, which are divided into four groups: topoisomerase II inhibitors, histone deacetylase inhibitors, protein tyrosine kinase inhibitors, and antimicrotubule agents. Keywords: topoisomerase II inhibitors, histone deacetylase inhibitors, protein tyrosine kinase inhibitors, antimicrotubule agents

  3. S.E.A. Lab. Science Experiments and Activities. Marine Science for High School Students in Chemistry, Biology and Physics.

    Science.gov (United States)

    Hart, Kathy, Ed.

    A series of science experiments and activities designed for secondary school students taking biology, chemistry, physics, physical science or marine science courses are outlined. Each of the three major sections--chemistry, biology, and physics--addresses concepts that are generally covered in those courses but incorporates aspects of marine…

  4. Hot Chemistry Laboratory decommissioning activities at IPEN/CNEN-SP, Brazil

    International Nuclear Information System (INIS)

    Camilo, Ruth L.; Lainetti, Paulo E.O.

    2009-01-01

    IPEN's fuel cycle activities were accomplished in laboratory and pilot plant scale and most facilities were built in the 70-80 years. Nevertheless, radical changes of the Brazilian nuclear policy in the beginning of 90's determined the interruption of several fuel cycle activities and facilities shutdown. Since then, IPEN has faced the problem of the pilot plants decommissioning considering that there was no experience/expertise in this field at all. In spite of this, some laboratory and pilot plant decommissioning activities have been performed in IPEN in the last years, even without previous experience and training support. One of the first decommissioning activities accomplished in IPEN involved the Hot Chemistry Laboratory. This facility was built in the beginning of the 80's with the proposal of supporting research and development in the nuclear chemistry area. It was decided to settle a new laboratory in the place where the Hot Chemistry Laboratory was installed, being necessary its total releasing from the radioactive contamination point of view. The previous work in the laboratory involved the manipulation of samples of irradiated nuclear fuel, besides plutonium-239 and uranium-233 standard solutions. There were 5 glove-boxes in the facility but only 3 were used with radioactive material. The glove-boxes contained several devices and materials, besides the radioactive compounds, such as: electric and electronic equipment, metallic and plastic pieces, chemical reagents, liquid and solid radioactive wastes, etc. The laboratory's decommissioning process was divided in 12 steps. This paper describes the procedures, problems faced and results related to the Hot Chemistry Laboratory decommissioning operations and its reintegration as a new laboratory of the Chemical and Environmental Technology Center (CQMA) - IPEN-CNEN/SP. (author)

  5. Diversity of Secondary Metabolites from Marine Bacillus Species: Chemistry and Biological Activity

    Science.gov (United States)

    Mondol, Muhammad Abdul Mojid; Shin, Hee Jae; Islam, Mohammad Tofazzal

    2013-01-01

    Marine Bacillus species produce versatile secondary metabolites including lipopeptides, polypeptides, macrolactones, fatty acids, polyketides, and isocoumarins. These structurally diverse compounds exhibit a wide range of biological activities, such as antimicrobial, anticancer, and antialgal activities. Some marine Bacillus strains can detoxify heavy metals through reduction processes and have the ability to produce carotenoids. The present article reviews the chemistry and biological activities of secondary metabolites from marine isolates. Side by side, the potential for application of these novel natural products from marine Bacillus strains as drugs, pesticides, carotenoids, and tools for the bioremediation of heavy metal toxicity are also discussed. PMID:23941823

  6. Manifestations of metacognitive activity during the collaborative planning of chemistry practical investigations

    Science.gov (United States)

    Mathabathe, Kgadi Clarrie; Potgieter, Marietjie

    2017-07-01

    This paper elaborates a process followed to characterise manifestations of cognitive regulation during the collaborative planning of chemistry practical investigations. Metacognitive activity was defined as the demonstration of planning, monitoring, control and evaluation of cognitive activities by students while carrying out the chemistry task. Inherent in collaborative learning is the social aspect of metacognition, which in this study was evidenced in social cognitive regulation (notably of intra- and interpersonal metacognitive regulations) as groups of students went about planning their practical investigations. Discussions of two of the learning groups (n = 4; n = 3) as they planned the extended practical investigation were recorded, transcribed and analysed for indicators of any inherent metacognitive activity. The process of characterising the manifestations of metacognition resulted in the development of a coding system which specifies not only the regulatory strategies at play but the type of regulation (self or other), the area of regulation (cognition, task performance or behaviour) as well as the depth of regulatory contributions (high or low). The fine-grained coding system allowed for a finer theoretical elucidation of the social nature of metacognition. The implications of this study for metacognition and chemistry education research are highlighted.

  7. Electrochemical Sensing, Photocatalytic and Biological Activities of ZnO Nanoparticles: Synthesis via Green Chemistry Route

    Science.gov (United States)

    Yadav, L. S. Reddy; Archana, B.; Lingaraju, K.; Kavitha, C.; Suresh, D.; Nagabhushana, H.; Nagaraju, G.

    2016-05-01

    In this paper, we have successfully synthesized ZnO nanoparticles (Nps) via solution combustion method using sugarcane juice as the novel fuel. The structure and morphology of the synthesized ZnO Nps have been analyzed using various analytical tools. The synthesized ZnO Nps exhibit excellent photocatalytic activity for the degradation of methylene blue dye, indicating that the ZnO Nps are potential photocatalytic semiconductor materials. The synthesized ZnO Nps also show good electrochemical sensing of dopamine. ZnO Nps exhibit significant bactericidal activity against Klebsiella aerogenes, Pseudomonas aeruginosa, Eschesichia coli and Staphylococcus aureus using agar well diffusion method. Furthermore, the ZnO Nps show good antioxidant activity by potentially scavenging 1-diphenyl-2-picrylhydrazyl (DPPH) radicals. The above studies clearly demonstrate versatile applications of ZnO synthesized by simple eco-friendly route.

  8. New Concept of C–H and C–C Bond Activation via Surface Organometallic Chemistry

    KAUST Repository

    Samantaray, Manoja

    2015-08-18

    In this chapter we describe the recent applications of well-defined oxidesupported metal alkyls/alkylidenes/alkylidynes and hydrides of group IV, V, and VI transition metals in the field of C–H and C–C bond activation. The activation of ubiquitous C–H and C–C bonds of paraffin is a long-standing challenge because of intrinsic low reactivity. There are many concepts derived from surface organometallic chemistry (SOMC): surface organometallic fragments are always intermediates in heterogeneous catalysis. The study of their synthesis and reactivity is a way to rationalize mechanism of heterogeneous catalysis and to achieve structure activity relationship. By surface organometallic chemistry one can enter any catalytic center by a reaction intermediate leading in fine to single site catalysts. With surface organometallic chemistry one can coordinate to the metal which can play a role in different elementary steps leading for example to C–H activation and Olefin metathesis. Because of the development of SOMC there is a lot of space for the improvement of homogeneous catalysis. After the 1997 discovery of alkane metathesis using silica-supported tantalum hydride by Basset et al. at low temperature (150ºC) the focus in this area was shifted to the discovery of more and more challenging surface complexes active in the application of C–H and C–C bond activation. Here we describe the evolution of well-defined metathesis catalyst with time as well as the effect of support on catalysis. We also describe here which metal–ligand combinations are responsible for a variety of C–H and C–C bond activation.

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

    Science.gov (United States)

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

    2016-01-01

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

  10. Inquiry-based Laboratory Activities on Drugs Analysis for High School Chemistry Learning

    Science.gov (United States)

    Rahmawati, I.; Sholichin, H.; Arifin, M.

    2017-09-01

    Laboratory activity is an important part of chemistry learning, but cookbook instructions is still commonly used. However, the activity with that way do not improve students thinking skill, especially students creativity. This study aims to improve high school students creativity through inquiry-based laboratory on drugs analysis activity. Acid-base titration is used to be method for drugs analysis involving a color changing indicator. The following tools were used to assess the activity achievement: creative thinking test on acid base titration, creative attitude and action observation sheets, questionnaire of inquiry-based lab activities, and interviews. The results showed that the inquiry-based laboratory activity improving students creative thinking, creative attitude and creative action. The students reacted positively to this teaching strategy as demonstrated by results from questionnaire responses and interviews. This result is expected to help teachers to overcome the shortcomings in other laboratory learning.

  11. The role of human activity and land use change in atmospheric chemistry and air quality

    International Nuclear Information System (INIS)

    Penner, J.E.

    1992-07-01

    In the this paper, I review the importance of a mineral of fossil fuel emissions atmospheric chemistry, air quality, and climate. I then review current estimates of the sources for each specie, deriving the fraction of each source that is due to specific land use practices or land cover categories. Understanding the current trends of those species with known increasing abundances and projecting increases into the future is possible if the estimated sources from human activity and land use change can be projected and if the known atmospheric sinks and the interactions in atmospheric chemistry and climate change are appropriately taken into account. Regional trends in the short-lived species can be projected as well, assuming the estimated sources and sinks are correct. However, significant uncertainties continue to surround the estimated budgets for most of these species. Uncertainties and the estimated ranges in different source strength estimates for each are also discussed

  12. Annual report 1985 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1986-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. All particles and reports published and lectures given in 1985 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general. (author)

  13. Annual report 1984 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1985-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry , environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general. (author)

  14. DOE fundamentals handbook: Chemistry

    International Nuclear Information System (INIS)

    1993-01-01

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

  15. Factors Influencing NO2 Adsorption/Reduction on Microporous Activated Carbon: Porosity vs. Surface Chemistry

    Directory of Open Access Journals (Sweden)

    Imen Ghouma

    2018-04-01

    Full Text Available The textural properties and surface chemistry of different activated carbons, prepared by the chemical activation of olive stones, have been investigated in order to gain insight on the NO2 adsorption mechanism. The parent chemical activated carbon was prepared by the impregnation of olive stones in phosphoric acid followed by thermal carbonization. Then, the textural properties and surface chemistry were modified by chemical treatments including nitric acid, sodium hydroxide and/or a thermal treatment at 900 °C. The main properties of the parent and modified activated carbons were analyzed by N2-adsorption, scanning electron microscopy (SEM, and Fourier transform infrared spectroscopy (FTIR techniques, in order to enlighten the modifications issued from the chemical and thermal treatments. The NO2 adsorption capacities of the different activated carbons were measured in fixed bed experiments under 500 ppmv NO2 concentrations at room temperature. Temperature programmed desorption (TPD was applied after adsorption tests in order to quantify the amount of the physisorbed and chemisorbed NO2. The obtained results showed that the development of microporosity, the presence of oxygen-free sites, and the presence of basic surface groups are key factors for the efficient adsorption of NO2.

  16. Combustion engineering

    CERN Document Server

    Ragland, Kenneth W

    2011-01-01

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

  17. Instrumental neutron activation analysis of coal and its combustion residues from a power plant

    International Nuclear Information System (INIS)

    Lim, J.M.; Jeong, J.H.; Lee, J.H.

    2013-01-01

    A growing demand of electrical energy derived from coal combustion led to a significant increase of coal ash as residues. Approximately 70 % of the fly ashes are recycled, while most of the bottom ashes have been land-filled in the ash pond in Korea. In this work, to evaluate the potential impacts of the residues from a coal power plant on the environment, its inorganic elemental components were determined by INAA and PGAA. Coal ash samples were collected from the biggest power plant complex in Korea. These samples were analyzed by using the NAA facilities in the HANARO research reactor of the Korea Atomic Energy Research Institute. A total of 31 elements were analyzed in the samples, and certified reference materials were used for the analytical quality control. The enrichment status of a given metal in fuel coal and ashes was investigated by its concentration ratio. In order to assess the impact of the coal combustion residues on ecosystem, their concentrations determined for each respective type of the samples were compared to both reference data and nearby beach sand samples. (author)

  18. Third millenium ideal gas and condensed phase thermochemical database for combustion (with update from active thermochemical tables).

    Energy Technology Data Exchange (ETDEWEB)

    Burcat, A.; Ruscic, B.; Chemistry; Technion - Israel Inst. of Tech.

    2005-07-29

    The thermochemical database of species involved in combustion processes is and has been available for free use for over 25 years. It was first published in print in 1984, approximately 8 years after it was first assembled, and contained 215 species at the time. This is the 7th printed edition and most likely will be the last one in print in the present format, which involves substantial manual labor. The database currently contains more than 1300 species, specifically organic molecules and radicals, but also inorganic species connected to combustion and air pollution. Since 1991 this database is freely available on the internet, at the Technion-IIT ftp server, and it is continuously expanded and corrected. The database is mirrored daily at an official mirror site, and at random at about a dozen unofficial mirror and 'finger' sites. The present edition contains numerous corrections and many recalculations of data of provisory type by the G3//B3LYP method, a high-accuracy composite ab initio calculation. About 300 species are newly calculated and are not yet published elsewhere. In anticipation of the full coupling, which is under development, the database started incorporating the available (as yet unpublished) values from Active Thermochemical Tables. The electronic version now also contains an XML file of the main database to allow transfer to other formats and ease finding specific information of interest. The database is used by scientists, educators, engineers and students at all levels, dealing primarily with combustion and air pollution, jet engines, rocket propulsion, fireworks, but also by researchers involved in upper atmosphere kinetics, astrophysics, abrasion metallurgy, etc. This introductory article contains explanations of the database and the means to use it, its sources, ways of calculation, and assessments of the accuracy of data.

  19. Effect of electrochemical treatments on the surface chemistry of activated carbon

    OpenAIRE

    Berenguer Betrián, Raúl; Marco Lozar, Juan Pablo; Quijada Tomás, César; Cazorla Amorós, Diego; Morallón Núñez, Emilia

    2008-01-01

    The effect of the electrochemical treatment (galvanostatic electrolysis in a filter-press electrochemical cell) on the surface chemistry and porous structure of a granular activated carbon (GAC) has been analyzed by means of temperature-programmed desorption and N2 (at 77 K) and CO2 (at 273 K) adsorption isotherms. The anodic and cathodic treatments, the applied current (between 0.2 and 2.0 A) and the type of electrolyte (NaOH, H2SO4 and NaCl)have been studied as electrochemical variables. Bo...

  20. Evaluation of biological activities of nanocrystalline zirconia synthesis via combustion method

    International Nuclear Information System (INIS)

    Thakare, V.G.; Omanwar, S.K.; Bhatkar, V.B.; Wadegaokar, P.A.

    2016-01-01

    The objective of the following study was synthesis of nanocrystalline zirconia by modified solution combustion synthesis method and evaluation of its structural and biological properties. The sample was characterized by powder X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) and evaluated for cytotoxicity study using 3T3 mouse fibroblast cells, the antibacterial property are investigated by spread plate method against E. coli bacterial pathogen and studied for degradation using phosphate buffered saline (PBS) solution. The XRD pattern shows that the monoclinic phase of nanocrystalline zirconia was obtained. The FESEM images showed that the prepared sample consists of particles in the range of 45 nm and homogenous particle size distribution. The sample of zirconia has excellent tissue biocompatibility and does not show any toxicity towards normal 3T3 mouse fibroblast cells. It also inhibited the bacterial growth. The sample shows stability at physiological condition and does not show degradation. (author)

  1. Review of the genus Ipomoea: traditional uses, chemistry and biological activities

    Directory of Open Access Journals (Sweden)

    Marilena Meira

    Full Text Available Approximately 600-700 species of Ipomoea, Convolvulaceae, are found throughout tropical and subtropical regions of the world. Several of those species have been used as ornamental plants, food, medicines or in religious ritual. The present work reviews the traditional uses, chemistry and biological activities of Ipomoea species and illustrates the potential of the genus as a source of therapeutic agents. These species are used in different parts of the world for the treatment of several diseases, such as, diabetes, hypertension, dysentery, constipation, fatigue, arthritis, rheumatism, hydrocephaly, meningitis, kidney ailments and inflammations. Some of these species showed antimicrobial, analgesic, spasmolitic, spasmogenic, hypoglycemic, hypotensive, anticoagulant, anti-inflammatory, psychotomimetic and anticancer activities. Alkaloids, phenolics compounds and glycolipids are the most common biologically active constituents from these plant extracts.

  2. Pulsating combustion - Combustion characteristics and reduction of emissions

    Energy Technology Data Exchange (ETDEWEB)

    Lindholm, Annika

    1999-11-01

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

  3. Active Learning and Cooperative Learning in the Organic Chemistry Lecture Class

    Science.gov (United States)

    Paulson, Donald R.

    1999-08-01

    Faculty in the physical sciences are one of the academic groups least receptive to the use of active learning strategies and cooperative learning in their classrooms. This is particularly so in traditional lecture classes. It is the objective of this paper to show how effective these techniques can be in improving student performance in classes. The use of active learning strategies and cooperative learning groups in my organic chemistry lecture classes has increased the overall pass rate in my classes by an astounding 20-30% over the traditional lecture mode. This has been accomplished without any reduction in "standards". The actual methods employed are presented as well as a discussion of how I came to radically change the way I teach my classes.

  4. Novel Concrete Chemistry Achieved with Low Dose Gamma Radiation Curing and Resistance to Neutron Activation

    Science.gov (United States)

    Burnham, Steven Robert

    As much as 50% of ageing-related problems with concrete structures can be attributed to con-struction deficiencies at the time of placement. The most influential time affecting longevity of concrete structures is the curing phase, or commonly the initial 28 days following its placement. A novel advanced atomistic analysis of novel concrete chemistry is presented in this dissertation with the objective to improve concrete structural properties and its longevity. Based on experiments and computational models, this novel concrete chemistry is discussed in two cases: (a) concrete chemistry changes when exposed to low-dose gamma radiation in its early curing stage, thus improving its strength in a shorter period of time then curing for the conventional 28 days; (b) concrete chemistry is controlled by its atomistic components to assure strength is not reduced but that its activation due to long-term exposure to neutron flux in nuclear power plants is negligible. High dose gamma radiation is well documented as a degradation mechanism that decreases concrete's compressive strength; however, the effects of low-dose gamma radiation on the initial curing phase of concrete, having never been studied before, proved its compressive strength increases. Using a 137 Cs source, concrete samples were subjected to gamma radiation during the initial curing phase for seven, 14, and 28 days. The compressive strength after seven days is improved for gamma cured concrete by 24% and after 14 days by 76%. Concrete shows no improvement in compressive strength after 28 days of exposure to gamma radiation, showing that there is a threshold effect. Scanning Electron Microscopy is used to examine the microstructure of low-dose gamma radiation where no damage to its microstructure is found, showing no difference between gamma cured and conventionally cured concrete. Molecular dynamics modeling based on the MOPAC package is used to study how gamma radiation during the curing stage improves

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

    International Nuclear Information System (INIS)

    Maroteaux, Fadila; Pommier, Pierre-Lin

    2013-01-01

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

  6. Combustion physics

    Science.gov (United States)

    Jones, A. R.

    1985-11-01

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

  7. The Importance of Computer Based Active Learning for Basic Chemistry in Vocational High Schools

    Directory of Open Access Journals (Sweden)

    Tuğçe GÜNTER

    2011-01-01

    Full Text Available Chemistry is a very comprehensive discipline that researches atoms; molecules; the structure of matter in the form of element or compound; combinations, and physical and chemical properties of matter; macroscopic and microscopic transformations of matters; the energy and entropy released or absorbed in the course of these transformations; the structures and functions of carbohydrates, lipids, proteins, enzymes, vitamins and minerals in the body. This discipline includes numerous reactions at the macroscopic, microscopic and particulate levels, abstract concepts, three-dimensional structure of molecules, mathematics, and graphics. It is important for students to be trained as scientists to internalize -with meaningful learning - chemistry having much abstract concepts. Especially for students in associate degree programs in Vocational High Schools, taking this integrated course will provide them to be more creative in their future professional work; to cope with and overcome analytical problems; to be self-learners; to fill the gaps concerning chemical analysis originated from secondary education; and to gain critical thinking and self-evaluation skills regarding chemical problems. In the age of developing science and technology, “Computer-Based Active Learning Method” emerged with the introduction of multi-media into education and training. In this context, students will learn difficult and complex mathematical operations and graphics interpretations more meaningfully with computer-based simulations and analogies.

  8. Annual report 1989 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Neve Larsen, Aa.; Larsen, E.; Nielsen, O.J.

    1990-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1989 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

  9. Annual report 1988 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Neve Larsen, Aa.; Larsen, E.; Nielsen, O.J.

    1989-05-01

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1988 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

  10. Annual report 1986 chemistry department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1987-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1986 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistral, mineral processing, and general. (author)

  11. Upscaling Self-Sustaining Treatment for Active Remediation (STAR): Experimental Study of Scaling Relationships for Smouldering Combustion to Remediate Soil

    Science.gov (United States)

    Kinsman, L.; Gerhard, J.; Torero, J.; Scholes, G.; Murray, C.

    2013-12-01

    Self-sustaining Treatment for Active Remediation (STAR) is a relatively new remediation approach for soil contaminated with organic industrial liquids. This technology uses smouldering combustion, a controlled, self-sustaining burning reaction, to destroy nonaqueous phase liquids (NAPLs) and thereby render soil clean. While STAR has been proven at the bench scale, success at industrial scales requires the process to be scaled-up significantly. The objective of this study was to conduct an experimental investigation into how liquid smouldering combustion phenomena scale. A suite of detailed forward smouldering experiments were conducted in short (16 cm dia. x 22 cm high), intermediate (16 cm dia. x 127 cm high), and large (97 cm dia. x 300 cm high; a prototype ex-situ reactor) columns; this represents scaling of up to 530 times based on the volume treated. A range of fuels were investigated, with the majority of experiments conducted using crude oil sludge as well as canola oil as a non-toxic surrogate for hazardous contaminants. To provide directly comparable data sets and to isolate changes in the smouldering reaction which occurred solely due to scaling effects, sand grain size, contaminant type, contaminant concentration and air injection rates were controlled between the experimental scales. Several processes could not be controlled and were identified to be susceptible to changes in scale, including: mobility of the contaminant, heat losses, and buoyant flow effects. For each experiment, the propagation of the smouldering front was recorded using thermocouples and analyzed by way of temperature-time and temperature-distance plots. In combination with the measurement of continuous mass loss and gaseous emissions, these results were used to evaluate the fundamental differences in the way the reaction front propagates through the mixture of sand and fuel across the various scales. Key governing parameters were compared between the small, intermediate, and large

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

    International Nuclear Information System (INIS)

    Larmi, M.

    2009-01-01

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

  13. Preparation and evaluation of coal-derived activated carbons for removal of mercury vapor from simulated coal combustion flue fases

    Science.gov (United States)

    Hsi, H.-C.; Chen, S.; Rostam-Abadi, M.; Rood, M.J.; Richardson, C.F.; Carey, T.R.; Chang, R.

    1998-01-01

    Coal-derived activated carbons (CDACs) were tested for their suitability in removing trace amounts of vapor-phase mercury from simulated flue gases generated by coal combustion. CDACs were prepared in bench-scale and pilot-scale fluidized-bed reactors with a three-step process, including coal preoxidation, carbonization, and then steam activation. CDACs from high-organicsulfur Illinois coals had a greater equilibrium Hg0 adsorption capacity than activated carbons prepared from a low-organic-sulfur Illinois coal. When a low-organic-sulfur CDAC was impregnated with elemental sulfur at 600 ??C, its equilibrium Hg0 adsorption capacity was comparable to the adsorption capacity of the activated carbon prepared from the high-organicsulfur coal. X-ray diffraction and sulfur K-edge X-ray absorption near-edge structure examinations showed that the sulfur in the CDACs was mainly in organic forms. These results suggested that a portion of the inherent organic sulfur in the starting coal, which remained in the CDACs, played an important role in adsorption of Hg0. Besides organic sulfur, the BET surface area and micropore area of the CDACs also influenced Hg0 adsorption capacity. The HgCl2 adsorption capacity was not as dependent on the surface area and concentration of sulfur in the CDACs as was adsorption of Hg0. The properties and mercury adsorption capacities of the CDACs were compared with those obtained for commercial Darco FGD carbon.

  14. Internal combustion engine using premixed combustion of stratified charges

    Science.gov (United States)

    Marriott, Craig D [Rochester Hills, MI; Reitz, Rolf D [Madison, WI

    2003-12-30

    During a combustion cycle, a first stoichiometrically lean fuel charge is injected well prior to top dead center, preferably during the intake stroke. This first fuel charge is substantially mixed with the combustion chamber air during subsequent motion of the piston towards top dead center. A subsequent fuel charge is then injected prior to top dead center to create a stratified, locally richer mixture (but still leaner than stoichiometric) within the combustion chamber. The locally rich region within the combustion chamber has sufficient fuel density to autoignite, and its self-ignition serves to activate ignition for the lean mixture existing within the remainder of the combustion chamber. Because the mixture within the combustion chamber is overall premixed and relatively lean, NO.sub.x and soot production are significantly diminished.

  15. Microwave-assisted combustion synthesis of nano iron oxide/iron-coated activated carbon, anthracite, cellulose fiber, and silica, with arsenic adsorption studies

    Science.gov (United States)

    Combustion synthesis of iron oxide/iron coated carbons such as activated carbon, anthracite, cellulose fiber and silica is described. The reactions were carried out in alumina crucibles using a Panasonic kitchen microwave with inverter technology, and the reaction process was com...

  16. Osteoinductive activity of insulin-functionalized cell culture surfaces obtained using diazonium chemistry

    Science.gov (United States)

    Mikulska, Anna; Filipowska, Joanna; Osyczka, Anna; Nowakowska, Maria; Szczubiałka, Krzysztof

    2014-12-01

    Polymeric surfaces suitable for cell culture (DR/Pec) were constructed from diazoresin (DR) and pectin (Pec) in a form of ultrathin films using the layer-by-layer (LbL) technique. The surfaces were functionalized with insulin using diazonium chemistry. Such functionalized surfaces were used to culture human mesenchymal stem cells (hMSCs) to assess their suitability for bone tissue engineering and regeneration. The activity of insulin immobilized on the surfaces (DR/Pec/Ins) was compared to that of insulin dissolved in the culture medium. Human MSC grown on insulin-immobilized DR/Pec surfaces displayed increased proliferation and higher osteogenic activity. The latter was determined by means of alkaline phosphatase (ALP) activity, which increases at early stages of osteoblasts differentiation. Insulin dissolved in the culture medium did not stimulate cell proliferation and its osteogenic activity was significantly lower. Addition of recombinant human bone morphogenetic protein 2 (rhBMP-2) to the culture medium further increased ALP activity in hMSCs indicating additive osteogenic action of immobilized insulin and rhBMP-2

  17. Osteoinductive activity of insulin-functionalized cell culture surfaces obtained using diazonium chemistry

    Directory of Open Access Journals (Sweden)

    Anna eMikulska

    2015-01-01

    Full Text Available Polymeric surfaces suitable for cell culture (DR/Pec were constructed from diazoresin (DR and pectin (Pec in a form of ultrathin films using the layer-by-layer (LbL technique. The surfaces were functionalized with insulin using diazonium chemistry. Such functionalized surfaces were used to culture human mesenchymal stem cells (hMSCs to assess their suitability for bone tissue engineering and regeneration. The activity of insulin immobilized on the surfaces (DR/Pec/Ins was compared to that of insulin dissolved in the culture medium. Human MSC grown on insulin-immobilized DR/Pec surfaces displayed increased proliferation and higher osteogenic activity. The latter was determined by means of alkaline phosphatase (ALP activity, which increases at early stages of osteoblasts differentiation. Insulin dissolved in the culture medium did not stimulate cell proliferation and its osteogenic activity was significantly lower. Addition of recombinant human bone morphogenetic protein 2 (rhBMP-2 to the culture medium further increased ALP activity in hMSCs indicating additive osteogenic action of immobilized insulin and rhBMP-2

  18. Chemical kinetics and combustion modeling

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  19. Biofuels combustion.

    Science.gov (United States)

    Westbrook, Charles K

    2013-01-01

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

  20. Annual Report 1984. Chemistry Department

    DEFF Research Database (Denmark)

    Funck, Jytte; Nielsen, Ole John

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, an......, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general.......This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry...

  1. Porous structure and surface chemistry of phosphoric acid activated carbon from corncob

    Science.gov (United States)

    Sych, N. V.; Trofymenko, S. I.; Poddubnaya, O. I.; Tsyba, M. M.; Sapsay, V. I.; Klymchuk, D. O.; Puziy, A. M.

    2012-11-01

    Active carbons have been prepared from corncob using chemical activation with phosphoric acid at 400 °C using varied ratio of impregnation (RI). Porous structure of carbons was characterized by nitrogen adsorption and scanning electron microscopy. Surface chemistry was studied by IR and potentiometric titration method. It has been shown that porosity development was peaked at RI = 1.0 (SBET = 2081 m2/g, Vtot = 1.1 cm3/g), while maximum amount of acid surface groups was observed at RI = 1.25. Acid surface groups of phosphoric acid activated carbons from corncob includes phosphate and strongly acidic carboxylic (pK = 2.0-2.6), weakly acidic carboxylic (pK = 4.7-5.0), enol/lactone (pK = 6.7-7.4; 8.8-9.4) and phenol (pK = 10.1-10.7). Corncob derived carbons showed high adsorption capacity to copper, especially at low pH. Maximum adsorption of methylene blue and iodine was observed for carbon with most developed porosity (RI = 1.0).

  2. High pressure chemistry of red phosphorus by photo-activated simple molecules

    International Nuclear Information System (INIS)

    Ceppatelli, M; Bini, R; Caporali, M; Peruzzini, M; Fanetti, S

    2014-01-01

    High pressure (HP) is very effective in reducing intermolecular distances and inducing unexpected chemical reactions. In addition the photo-activation of the reactants in HP conditions can lead to very efficient and selective processes. The chemistry of phosphorus is currently based on the white molecular form. The red polymeric allotrope, despite more stable and much less toxic, has not attracted much attention so far. However, switching from the white to the red form would benefit any industrial procedure, especially from an environmental point of view. On the other side, water and ethanol are renewable, environmental friendly and largely available molecules, usable as reactants and photo-activators in HP conditions. Here we report a study on the HP photo-induced reactivity of red phosphorus with water and ethanol, showing the possibility of very efficient and selective processes, leading to molecular hydrogen and valuable phosphorus compounds. The reactions have been studied by means of FTIR and Raman spectroscopy and pressure has been generated using membrane Diamond (DAC) and Sapphire (SAC) anvil cells. HP reactivity has been activated by the two-photon absorption of near-UV wavelengths and occurred in total absence of solvents, catalysts and radical initiators, at room T and mild pressure conditions (0.2–1.5 GPa).

  3. High pressure chemistry of red phosphorus by photo-activated simple molecules

    Science.gov (United States)

    Ceppatelli, M.; Fanetti, S.; Bini, R.; Caporali, M.; Peruzzini, M.

    2014-05-01

    High pressure (HP) is very effective in reducing intermolecular distances and inducing unexpected chemical reactions. In addition the photo-activation of the reactants in HP conditions can lead to very efficient and selective processes. The chemistry of phosphorus is currently based on the white molecular form. The red polymeric allotrope, despite more stable and much less toxic, has not attracted much attention so far. However, switching from the white to the red form would benefit any industrial procedure, especially from an environmental point of view. On the other side, water and ethanol are renewable, environmental friendly and largely available molecules, usable as reactants and photo-activators in HP conditions. Here we report a study on the HP photo-induced reactivity of red phosphorus with water and ethanol, showing the possibility of very efficient and selective processes, leading to molecular hydrogen and valuable phosphorus compounds. The reactions have been studied by means of FTIR and Raman spectroscopy and pressure has been generated using membrane Diamond (DAC) and Sapphire (SAC) anvil cells. HP reactivity has been activated by the two-photon absorption of near-UV wavelengths and occurred in total absence of solvents, catalysts and radical initiators, at room T and mild pressure conditions (0.2-1.5 GPa).

  4. AuRu/meso-Mn2O3: A Highly Active and Stable Catalyst for Methane Combustion

    Science.gov (United States)

    Han, Z.; Fang, J. Y.; Xie, S. H.; Deng, J. G.; Liu, Y. X.; Dai, H. X.

    2018-05-01

    Three-dimensionally ordered mesoporous Mn2O3 (meso-Mn2O3) and its supported Au, Ru, and AuRu alloy (0.49 wt% Au/meso-Mn2O3, 0.48 wt% Ru/meso-Mn2O3, and 0.97 wt% AuRu/meso-Mn2O3 (Au/Ru molar ratio = 0.98)) nanocatalysts were prepared using the KIT-6-templating and polyvinyl alcohol-protected reduction methods, respectively. Physicochemical properties of the samples were characterized by means of numerous techniques, and their catalytic activities were evaluated for the combustion of methane. It is found that among all of the samples, 0.48 wt% Ru/meso-Mn 2O3 and 0.97 wt% AuRu/meso-Mn2O3 performed the best (the reaction temperature (T90% ) at 90% methane conversion was 530-540°C), but the latter showed a better thermal stability than the former. The partial deactivation of 0.97 wt% AuRu/meso-Mn2O3 due to H2O or CO2 introduction was reversible. It is concluded that the good catalytic activity and thermal stability of 0.97 wt% AuRu/meso-Mn2O3 was associated with the high dispersion of AuRu alloy NPs (2-5 nm) on the surface of meso-Mn2O3 and good low-temperature reducibility.

  5. Antitubercular activity of ZnO nanoparticles prepared by solution combustion synthesis using lemon juice as bio-fuel.

    Science.gov (United States)

    Gopala Krishna, Prashanth; Paduvarahalli Ananthaswamy, Prashanth; Trivedi, Priyanka; Chaturvedi, Vinita; Bhangi Mutta, Nagabhushana; Sannaiah, Ananda; Erra, Amani; Yadavalli, Tejabhiram

    2017-06-01

    In this study, we report the synthesis, structural and morphological characteristics of zinc oxide (ZnO) nanoparticles using solution combustion synthesis method where lemon juice was used as the fuel. In vitro anti-tubercular activity of the synthesized ZnO nanoparticles and their biocompatibility studies, both in vitro and in vivo were carried out. The synthesized nanoparticles showed inhibition of Mycobacterium tuberculosis H37Ra strain at concentrations as low as 12.5μg/mL. In vitro cytotoxicity study performed with normal mammalian cells (L929, 3T3-L1) showed that ZnO nanoparticles are non-toxic with a Selectivity Index (SI) >10. Cytotoxicity performed on two human cancer cell lines DU-145 and Calu-6 indicated the anti-cancer activity of ZnO nanoparticles at varied concentrations. Results of blood hemolysis indicated the biocompatibility of ZnO nanoparticles. Furthermore, in vivo toxicity studies of ZnO nanoparticles conducted on Swiss albino mice (for 14days as per the OECD 423 guidelines) showed no evident toxicity. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Porous structure and surface chemistry of phosphoric acid activated carbon from corncob

    International Nuclear Information System (INIS)

    Sych, N.V.; Trofymenko, S.I.; Poddubnaya, O.I.; Tsyba, M.M.; Sapsay, V.I.; Klymchuk, D.O.; Puziy, A.M.

    2012-01-01

    Highlights: ► Phosphoric acid activation results in formation of carbons with acidic surface groups. ► Maximum amount of surface groups is introduced at impregnation ratio 1.25. ► Phosphoric acid activated carbons show high capacity to copper. ► Phosphoric acid activated carbons are predominantly microporous. ► Maximum surface area and pore volume achieved at impregnation ratio 1.0. - Abstract: Active carbons have been prepared from corncob using chemical activation with phosphoric acid at 400 °C using varied ratio of impregnation (RI). Porous structure of carbons was characterized by nitrogen adsorption and scanning electron microscopy. Surface chemistry was studied by IR and potentiometric titration method. It has been shown that porosity development was peaked at RI = 1.0 (S BET = 2081 m 2 /g, V tot = 1.1 cm 3 /g), while maximum amount of acid surface groups was observed at RI = 1.25. Acid surface groups of phosphoric acid activated carbons from corncob includes phosphate and strongly acidic carboxylic (pK = 2.0–2.6), weakly acidic carboxylic (pK = 4.7–5.0), enol/lactone (pK = 6.7–7.4; 8.8–9.4) and phenol (pK = 10.1–10.7). Corncob derived carbons showed high adsorption capacity to copper, especially at low pH. Maximum adsorption of methylene blue and iodine was observed for carbon with most developed porosity (RI = 1.0).

  7. Porous structure and surface chemistry of phosphoric acid activated carbon from corncob

    Energy Technology Data Exchange (ETDEWEB)

    Sych, N.V.; Trofymenko, S.I.; Poddubnaya, O.I.; Tsyba, M.M. [Institute for Sorption and Endoecology Problems, National Academy of Sciences of Ukraine, 13 General Naumov St., 03164 Kyiv (Ukraine); Sapsay, V.I.; Klymchuk, D.O. [M.G. Kholodny Institute of Botany, National Academy of Sciences of Ukraine, 2 Tereshchenkivska St., 01601 Kyiv (Ukraine); Puziy, A.M., E-mail: alexander.puziy@ispe.kiev.ua [Institute for Sorption and Endoecology Problems, National Academy of Sciences of Ukraine, 13 General Naumov St., 03164 Kyiv (Ukraine)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer Phosphoric acid activation results in formation of carbons with acidic surface groups. Black-Right-Pointing-Pointer Maximum amount of surface groups is introduced at impregnation ratio 1.25. Black-Right-Pointing-Pointer Phosphoric acid activated carbons show high capacity to copper. Black-Right-Pointing-Pointer Phosphoric acid activated carbons are predominantly microporous. Black-Right-Pointing-Pointer Maximum surface area and pore volume achieved at impregnation ratio 1.0. - Abstract: Active carbons have been prepared from corncob using chemical activation with phosphoric acid at 400 Degree-Sign C using varied ratio of impregnation (RI). Porous structure of carbons was characterized by nitrogen adsorption and scanning electron microscopy. Surface chemistry was studied by IR and potentiometric titration method. It has been shown that porosity development was peaked at RI = 1.0 (S{sub BET} = 2081 m{sup 2}/g, V{sub tot} = 1.1 cm{sup 3}/g), while maximum amount of acid surface groups was observed at RI = 1.25. Acid surface groups of phosphoric acid activated carbons from corncob includes phosphate and strongly acidic carboxylic (pK = 2.0-2.6), weakly acidic carboxylic (pK = 4.7-5.0), enol/lactone (pK = 6.7-7.4; 8.8-9.4) and phenol (pK = 10.1-10.7). Corncob derived carbons showed high adsorption capacity to copper, especially at low pH. Maximum adsorption of methylene blue and iodine was observed for carbon with most developed porosity (RI = 1.0).

  8. Challenges in simulation of chemical processes in combustion furnaces

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-12-31

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

  9. Challenges in simulation of chemical processes in combustion furnaces

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-31

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

  10. The Use of Molecular Modeling as "Pseudoexperimental" Data for Teaching VSEPR as a Hands-On General Chemistry Activity

    Science.gov (United States)

    Martin, Christopher B.; Vandehoef, Crissie; Cook, Allison

    2015-01-01

    A hands-on activity appropriate for first-semester general chemistry students is presented that combines traditional VSEPR methods of predicting molecular geometries with introductory use of molecular modeling. Students analyze a series of previously calculated output files consisting of several molecules each in various geometries. Each structure…

  11. Tracing footprints of environmental events in tree ring chemistry using neutron activation analysis

    Science.gov (United States)

    Sahin, Dagistan

    The aim of this study is to identify environmental effects on tree-ring chemistry. It is known that industrial pollution, volcanic eruptions, dust storms, acid rain and similar events can cause substantial changes in soil chemistry. Establishing whether a particular group of trees is sensitive to these changes in soil environment and registers them in the elemental chemistry of contemporary growth rings is the over-riding goal of any Dendrochemistry research. In this study, elemental concentrations were measured in tree-ring samples of absolutely dated eleven modern forest trees, grown in the Mediterranean region, Turkey, collected and dated by the Malcolm and Carolyn Wiener Laboratory for Aegean and Near Eastern Dendrochronology laboratory at Cornell University. Correlations between measured elemental concentrations in the tree-ring samples were analyzed using statistical tests to answer two questions. Does the current concentration of a particular element depend on any other element within the tree? And, are there any elements showing correlated abnormal concentration changes across the majority of the trees? Based on the detailed analysis results, the low mobility of sodium and bromine, positive correlations between calcium, zinc and manganese, positive correlations between trace elements lanthanum, samarium, antimony, and gold within tree-rings were recognized. Moreover, zinc, lanthanum, samarium and bromine showed strong, positive correlations among the trees and were identified as possible environmental signature elements. New Dendrochemistry information found in this study would be also useful in explaining tree physiology and elemental chemistry in Pinus nigra species grown in Turkey. Elemental concentrations in tree-ring samples were measured using Neutron Activation Analysis (NAA) at the Pennsylvania State University Radiation Science and Engineering Center (RSEC). Through this study, advanced methodologies for methodological, computational and

  12. Controls of Ca/Mg/Fe activity ratios in pore water chemistry models of the Callovian-Oxfordian clay formation

    Energy Technology Data Exchange (ETDEWEB)

    Lerouge, C.; Grangeon, S.; Wille, G.; Flehoc, C.; Gailhanou, H.; Gaucher, E.C.; Tournassat, C. [BRGM av. Claude Guillemin BP6009 45060 Orleans cedex 2 (France); Vinsot, A. [ANDRA Meuse/Haute-Marne Underground research Laboratory (URL), RD 960, 55290 Bure (France); Made, B.; Altmann, S. [ANDRA - Parc de la Croix Blanche, 1-7 rue Jean Monnet, 92298 Chatenay-Malabry Cedex (France)

    2013-07-01

    In the pore water chemistry model of the Callovian-Oxfordian clay formation, the divalent cations Ca, Mg, and Fe are controlled by equilibrium reactions with pure carbonates: calcite for Ca, dolomite for Mg, and siderite for Fe. Results of a petrological study and computing of the Ca/Mg and Ca/Fe activity ratios based on natural pore water chemistry provide evidence that equilibrium with pure calcite and pure dolomite is a reasonable assumption for undisturbed pore waters; on the other hand, siderite cannot be considered at equilibrium with pore waters at the formation scale. (authors)

  13. Controls of Ca/Mg/Fe activity ratios in pore water chemistry models of the Callovian-Oxfordian clay formation

    International Nuclear Information System (INIS)

    Lerouge, C.; Grangeon, S.; Wille, G.; Flehoc, C.; Gailhanou, H.; Gaucher, E.C.; Tournassat, C.; Vinsot, A.; Made, B.; Altmann, S.

    2013-01-01

    In the pore water chemistry model of the Callovian-Oxfordian clay formation, the divalent cations Ca, Mg, and Fe are controlled by equilibrium reactions with pure carbonates: calcite for Ca, dolomite for Mg, and siderite for Fe. Results of a petrological study and computing of the Ca/Mg and Ca/Fe activity ratios based on natural pore water chemistry provide evidence that equilibrium with pure calcite and pure dolomite is a reasonable assumption for undisturbed pore waters; on the other hand, siderite cannot be considered at equilibrium with pore waters at the formation scale. (authors)

  14. Design and evaluation of digital activating learning materials for Food Chemistry education.

    NARCIS (Netherlands)

    Diederen, J.

    2005-01-01

    Food chemistry is amongst others about the components and chemical reactions that are part of food products, about the effect of chemical reactions on the quality and about the techniques used to research food products. To support students in acquiring the knowledge and skills of food chemistry, in

  15. Quantitative Secretome Analysis of Activated Jurkat Cells Using Click Chemistry-Based Enrichment of Secreted Glycoproteins.

    Science.gov (United States)

    Witzke, Kathrin E; Rosowski, Kristin; Müller, Christian; Ahrens, Maike; Eisenacher, Martin; Megger, Dominik A; Knobloch, Jürgen; Koch, Andrea; Bracht, Thilo; Sitek, Barbara

    2017-01-06

    Quantitative secretome analyses are a high-performance tool for the discovery of physiological and pathophysiological changes in cellular processes. However, serum supplements in cell culture media limit secretome analyses, but serum depletion often leads to cell starvation and consequently biased results. To overcome these limiting factors, we investigated a model of T cell activation (Jurkat cells) and performed an approach for the selective enrichment of secreted proteins from conditioned medium utilizing metabolic marking of newly synthesized glycoproteins. Marked glycoproteins were labeled via bioorthogonal click chemistry and isolated by affinity purification. We assessed two labeling compounds conjugated with either biotin or desthiobiotin and the respective secretome fractions. 356 proteins were quantified using the biotin probe and 463 using desthiobiotin. 59 proteins were found differentially abundant (adjusted p-value ≤0.05, absolute fold change ≥1.5) between inactive and activated T cells using the biotin method and 86 using the desthiobiotin approach, with 31 mutual proteins cross-verified by independent experiments. Moreover, we analyzed the cellular proteome of the same model to demonstrate the benefit of secretome analyses and provide comprehensive data sets of both. 336 proteins (61.3%) were quantified exclusively in the secretome. Data are available via ProteomeXchange with identifier PXD004280.

  16. Radiation chemistry

    International Nuclear Information System (INIS)

    Rodgers, F.; Rodgers, M.A.

    1987-01-01

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

  17. Radiation chemistry of some novel antioxidants from turmeric and other natural products: physico-chemistry properties and antioxidant activities

    International Nuclear Information System (INIS)

    Indira Priyadarsini, K.; Guha, S.N.; Rao, M.N.A.

    1998-01-01

    Using pulse radiolysis the free radical reactions of the structurally related phenols were studied with biologically relevant oxidants both in aqueous-organic solutions and neutral surfactant solutions. The resulting phenoxyl radicals were characterised by their lifetimes, absorption spectra, one-electron reduction potential and reaction with other antioxidants. The physicochemical properties of the phenoxyl radicals were compared with the antioxidant activities of these compounds

  18. Annual report 1987 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1988-04-01

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1987 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistry, mineral processing, and general. 13 ills., (author)

  19. Annual report 1982 chemistry department

    International Nuclear Information System (INIS)

    Larsen, E.; Nielsen, O.J.

    1983-04-01

    The work going on in the Risoe National Laboratory, Chemistry Department is briefly surveyed by a presentation of all articles and reports published in 1982. The facilities and equipment are barely mentioned. The papers are divided into eight activities: 1. neutron activation analysis 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry 6. radical chemistry 7. poitron annihilation 8. uranium process chemistry. (author)

  20. Determination of 60 Co by means of Neutron Activation Analysis in the sorption of Co in synthesized porous oxides by the combustion method

    International Nuclear Information System (INIS)

    Lugo, V.; Bulbulian, S.; Urena, F.

    2005-01-01

    Recently inorganic materials are investigating as sorbent of radioactive pollutants present in water. The inorganic oxides belong to this group of materials. A quick method exists for the obtaining of inorganic oxides, denominated combustion method that could be used to produce porous oxides successfully with good properties for the sorption of radioactive ions. In this investigation, iron oxides, magnesium and zinc were synthesized obtained by the combustion method, comparing them with those synthesized by the calcination method, using two different synthesis temperatures. The obtained solids were characterized by scanning electron microscopy (Sem), by X-ray diffraction (XRD) and by semiquantitative elemental analysis (EDS). After the characterization, the crystalline oxides synthesized by both methods, to temperature of 800 C, were evaluated as sorbents in the removal of Co 2+ ions, through experiments in batch, and using neutron activation analysis, determining the sorption percentage, with this it was concluded that the magnesium oxide produced by combustion it is more effective in the removal of Co 2+ ions than that synthesized by calcination. It was determined the surface area of the magnesium oxides, obtaining a surface area greater for the synthesized oxide by combustion method. (Author)

  1. Hydrogen assisted diesel combustion

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-05-15

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

  2. Numerical simulation of turbulent combustion: Scientific challenges

    Science.gov (United States)

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

    2014-08-01

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

  3. Indoor Chemistry

    DEFF Research Database (Denmark)

    Weschler, Charles J.; Carslaw, Nicola

    2018-01-01

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

  4. Boosting lithium storage in covalent organic framework via activation of 14-electron redox chemistry.

    Science.gov (United States)

    Lei, Zhendong; Yang, Qinsi; Xu, Yi; Guo, Siyu; Sun, Weiwei; Liu, Hao; Lv, Li-Ping; Zhang, Yong; Wang, Yong

    2018-02-08

    Conjugated polymeric molecules have been heralded as promising electrode materials for the next-generation energy-storage technologies owing to their chemical flexibility at the molecular level, environmental benefit, and cost advantage. However, before any practical implementation takes place, the low capacity, poor structural stability, and sluggish ion/electron diffusion kinetics remain the obstacles that have to be overcome. Here, we report the synthesis of a few-layered two-dimensional covalent organic framework trapped by carbon nanotubes as the anode of lithium-ion batteries. Remarkably, upon activation, this organic electrode delivers a large reversible capacity of 1536 mAh g -1 and can sustain 500 cycles at 100 mA g -1 . Aided by theoretical calculations and electrochemical probing of the electrochemical behavior at different stages of cycling, the storage mechanism is revealed to be governed by 14-electron redox chemistry for a covalent organic framework monomer with one lithium ion per C=N group and six lithium ions per benzene ring. This work may pave the way to the development of high-capacity electrodes for organic rechargeable batteries.

  5. Active Upper-atmosphere Chemistry and Dynamics from Polar Circulation Reversal on Titan

    Science.gov (United States)

    Teanby, Nicholas A.; Irwin, Patrick Gerard Joseph; Nixon, Conor A.; DeKok, Remco; Vinatier, Sandrine; Coustenis, Athena; Sefton-Nash, Elliot; Calcutt, Simon B.; Flasar, Michael F.

    2012-01-01

    Saturn's moon Titan has a nitrogen atmosphere comparable to Earth's, with a surface pressure of 1.4 bar. Numerical models reproduce the tropospheric conditions very well but have trouble explaining the observed middle-atmosphere temperatures, composition and winds. The top of the middle-atmosphere circulation has been thought to lie at an altitude of 450 to 500 kilometres, where there is a layer of haze that appears to be separated from the main haze deck. This 'detached' haze was previously explained as being due to the colocation of peak haze production and the limit of dynamical transport by the circulation's upper branch. Herewe report a build-up of trace gases over the south pole approximately two years after observing the 2009 post-equinox circulation reversal, from which we conclude that middle-atmosphere circulation must extend to an altitude of at least 600 kilometres. The primary drivers of this circulation are summer-hemisphere heating of haze by absorption of solar radiation and winter-hemisphere cooling due to infrared emission by haze and trace gases; our results therefore imply that these effects are important well into the thermosphere (altitudes higher than 500 kilometres). This requires both active upper-atmosphere chemistry, consistent with the detection of high-complexity molecules and ions at altitudes greater than 950 kilometres, and an alternative explanation for the detached haze, such as a transition in haze particle growth from monomers to fractal structures.

  6. Surface chemistry of polyacrylonitrile- and rayon-based activated carbon fibers after post-heat treatment

    International Nuclear Information System (INIS)

    Chiang Yuchun; Lee, C.-Y.; Lee, H.-C.

    2007-01-01

    Polyacrylonitrile- and rayon-based activated carbon fibers (ACFs) subject to heat treatment were investigated by means of elemental analyzer, and X-ray photoelectron spectroscopy (XPS). The total ash content of all ACFs was also analyzed. The adsorption of benzene, carbon tetrachloride and water vapor on ACFs was determined to shed light on the role of surface chemistry on gas adsorption. Results show that different precursors resulted in various elemental compositions and imposed diverse influence upon surface functionalities after heat treatment. The surface of heat-treated ACFs became more graphitic and hydrophobic. Three distinct peaks due to C, N, and O atoms were identified by XPS, and the high-resolution revealed the existence of several surface functionalities. The presence of nitride-like species, aromatic N-imines, or chemisorbed nitrogen oxides was found to be of great advantage to adsorption of water vapor or benzene, but the pyridine-N was not. Unstable complexes on the surface would hinder the fibers from adsorption of carbon tetrachloride. The rise in total ash content or hydrogen composition was of benefit to the access of water vapor. Modifications of ACFs by heat treatment have effectively improved adsorption performance

  7. Mentha suaveolens Ehrh. (Lamiaceae) Essential Oil and Its Main Constituent Piperitenone Oxide: Biological Activities and Chemistry.

    Science.gov (United States)

    Božović, Mijat; Pirolli, Adele; Ragno, Rino

    2015-05-13

    Since herbal medicines play an important role in the treatment of a wide range of diseases, there is a growing need for their quality control and standardization. Mentha suaveolens Ehrh. (MS) is an aromatic herb with fruit and a spearmint flavor, used in the Mediterranean areas as a traditional medicine. It has an extensive range of biological activities, including cytotoxic, antimicrobial, antioxidant, anti-inflammatory, hypotensive and insecticidal properties, among others. This study aims to review the scientific findings and research reported to date on MS that prove many of the remarkable various biological actions, effects and some uses of this species as a source of bioactive natural compounds. On the other hand, piperitenone oxide (PO), the major chemical constituent of the carvone pathway MS essential oil, has been reported to exhibit numerous bioactivities in cells and animals. Thus, this integrated overview also surveys and interprets the present knowledge of chemistry and analysis of this oxygenated monoterpene, as well as its beneficial bioactivities. Areas for future research are suggested.

  8. Calamintha nepeta (L.) Savi and its Main Essential Oil Constituent Pulegone: Biological Activities and Chemistry.

    Science.gov (United States)

    Božović, Mijat; Ragno, Rino

    2017-02-14

    Medicinal plants play an important role in the treatment of a wide range of diseases, even if their chemical constituents are not always completely recognized. Observations on their use and efficacy significantly contribute to the disclosure of their therapeutic properties. Calamintha nepeta (L.) Savi is an aromatic herb with a mint-oregano flavor, used in the Mediterranean areas as a traditional medicine. It has an extensive range of biological activities, including antimicrobial, antioxidant and anti-inflammatory, as well as anti-ulcer and insecticidal properties. This study aims to review the scientific findings and research reported to date on Calamintha nepeta (L.) Savi that prove many of the remarkable various biological actions, effects and some uses of this species as a source of bioactive natural compounds. On the other hand, pulegone, the major chemical constituent of Calamintha nepeta (L.) Savi essential oil, has been reported to exhibit numerous bioactivities in cells and animals. Thus, this integrated overview also surveys and interprets the present knowledge of chemistry and analysis of this oxygenated monoterpene, as well as its beneficial bioactivities. Areas for future research are suggested.

  9. Calamintha nepeta (L. Savi and its Main Essential Oil Constituent Pulegone: Biological Activities and Chemistry

    Directory of Open Access Journals (Sweden)

    Mijat Božović

    2017-02-01

    Full Text Available Medicinal plants play an important role in the treatment of a wide range of diseases, even if their chemical constituents are not always completely recognized. Observations on their use and efficacy significantly contribute to the disclosure of their therapeutic properties. Calamintha nepeta (L. Savi is an aromatic herb with a mint-oregano flavor, used in the Mediterranean areas as a traditional medicine. It has an extensive range of biological activities, including antimicrobial, antioxidant and anti-inflammatory, as well as anti-ulcer and insecticidal properties. This study aims to review the scientific findings and research reported to date on Calamintha nepeta (L. Savi that prove many of the remarkable various biological actions, effects and some uses of this species as a source of bioactive natural compounds. On the other hand, pulegone, the major chemical constituent of Calamintha nepeta (L. Savi essential oil, has been reported to exhibit numerous bioactivities in cells and animals. Thus, this integrated overview also surveys and interprets the present knowledge of chemistry and analysis of this oxygenated monoterpene, as well as its beneficial bioactivities. Areas for future research are suggested

  10. Hypersonic Air Flow with Finite Rate Chemistry

    National Research Council Canada - National Science Library

    Boyd, Ian

    1997-01-01

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

  11. Tubular combustion

    CERN Document Server

    Ishizuka, Satoru

    2014-01-01

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

  12. Multistep continuous-flow synthesis in medicinal chemistry: discovery and preliminary structure-activity relationships of CCR8 ligands.

    Science.gov (United States)

    Petersen, Trine P; Mirsharghi, Sahar; Rummel, Pia C; Thiele, Stefanie; Rosenkilde, Mette M; Ritzén, Andreas; Ulven, Trond

    2013-07-08

    A three-step continuous-flow synthesis system and its application to the assembly of a new series of chemokine receptor ligands directly from commercial building blocks is reported. No scavenger columns or solvent switches are necessary to recover the desired test compounds, which were obtained in overall yields of 49-94%. The system is modular and flexible, and the individual steps of the sequence can be interchanged with similar outcome, extending the scope of the chemistry. Biological evaluation confirmed activity on the chemokine CCR8 receptor and provided initial structure-activity-relationship (SAR) information for this new ligand series, with the most potent member displaying full agonist activity with single-digit nanomolar potency. To the best of our knowledge, this represents the first published example of efficient use of multistep flow synthesis combined with biological testing and SAR studies in medicinal chemistry. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Elaboration of Copper-Oxygen Mediated C–H Activation Chemistry in Consideration of Future Fuel and Feedstock Generation

    Science.gov (United States)

    Lee, Jung Yoon; Karlin, Kenneth D

    2015-01-01

    To contribute solutions for current energy concerns, improvements in the efficiency of C-H bond cleavage chemistry, e.g., selective oxidation of methane to methanol, could minimize losses in natural gas usage or produce feedstocks for fuels. Oxidative C-H activation is also a component of polysaccharide degradation, affording alternative biofuels from abundant biomass. Thus, an understanding of active-site chemistry in copper monooxygenases, those activating strong C-H bonds is briefly reviewed. Then, recent advances in the synthesis-generation and study of various copper-oxygen intermediates are highlighted. Of special interest are cupric-superoxide, Cu-hydroperoxo and Cu-oxy complexes. Such investigations can contribute to an enhanced future application of C-H oxidation or oxygenation processes using air, as concerning societal energy goals. PMID:25756327

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-07-01

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

  15. Simultaneous modeling of antimycobacterial activities and ADMET profiles: a chemoinformatic approach to medicinal chemistry.

    Science.gov (United States)

    Speck-Planche, Alejandro; Cordeiro, M N D S

    2013-01-01

    Mycobacteria represent a group of pathogens which cause serious diseases in mammals, including the lethal tuberculosis (Mycobacterium tuberculosis). Despite the mortality of this community-acquired and nosocomial disease mentioned above, other mycobacteria may cause similar infections, acting as dangerous opportunistic pathogens. Additionally, resistant strains belonging to Mycobacterium spp. have emerged. Thus, the design of novel antimycobacterial agents is a challenge for the scientific community. In this sense, chemoinformatics has played a vital role in drug discovery, helping to rationalize chemical synthesis, as well as the evaluation of pharmacological and ADMET (absorption, distribution, metabolism, excretion, toxicity) profiles in both medicinal and pharmaceutical chemistry. Until now, there is no in silico methodology able to assess antimycobacterial activity and ADMET properties at the same time. This work introduces the first multitasking model based on quantitative-structure biological effect relationships (mtk-QSBER) for simultaneous prediction of antimycobacterial activities and ADMET profiles of drugs/chemicals under diverse experimental conditions. The mtk-QSBER model was constructed by using a large and heterogeneous dataset of compounds (more than 34600 cases), displaying accuracies higher than 90% in both, training and prediction sets. To illustrate the utility of the present model, several molecular fragments were selected and their contributions to different biological effects were calculated and analyzed. Also, many properties of the investigational drug TMC-207 were predicted. Results confirmed that, from one side, TMC-207 can be a promising antimycobacterial drug, and on the other hand, this study demonstrates that the present mtk-QSBER model can be used for virtual screening of safer antimycobacterial agents.

  16. New insights into methane-oxygen ion chemistry

    KAUST Repository

    Alquaity, Awad B.S.; Chen, Bingjie; Han, Jie; Selim, Hatem; Belhi, Memdouh; Karakaya, Yasin; Kasper, Tina; Sarathy, Mani; Bisetti, Fabrizio; Farooq, Aamir

    2016-01-01

    External electric fields may reduce emissions and improve combustion efficiency by active control of combustion processes. In-depth, quantitative understanding of ion chemistry in flames enables predictive models to describe the effect of external electric fields on combustion plasma. This study presents detailed cation profile measurements in low-pressure, burner-stabilized, methane/oxygen/argon flames. A quadrupole molecular beam mass spectrometer (MBMS) coupled to a low-pressure (P =30Torr) combustion chamber was utilized to measure ion signals as a function of height above the burner. Lean, stoichiometric and rich flames were examined to evaluate the dependence of ion chemistry on flame stoichiometry. Additionally, for the first time, cataloging of flame cations is performed using a high mass resolution time-of-flight mass spectrometer (TOF-MS) to distinguish ions with the same nominal mass. In the lean and stoichiometric flames, the dominant ions were HO, CHO , CHO, CHO and CHO, whereas large signals were measured for HO, CH and CHO in the rich flame. The spatial distribution of cations was compared with results from numerical simulations constrained by thermocouple-measured flame temperatures. Across all flames, the predicted HO decay rate was noticeably faster than observed experimentally. Sensitivity analysis showed that the mole fraction of HO is most sensitive to the rate of chemi-ionization CH+O↔CHO +E. To our knowledge, this work represents the first detailed measurements of positive ions in canonical low-pressure methane flames.

  17. New insights into methane-oxygen ion chemistry

    KAUST Repository

    Alquaity, Awad B.S.

    2016-06-15

    External electric fields may reduce emissions and improve combustion efficiency by active control of combustion processes. In-depth, quantitative understanding of ion chemistry in flames enables predictive models to describe the effect of external electric fields on combustion plasma. This study presents detailed cation profile measurements in low-pressure, burner-stabilized, methane/oxygen/argon flames. A quadrupole molecular beam mass spectrometer (MBMS) coupled to a low-pressure (P =30Torr) combustion chamber was utilized to measure ion signals as a function of height above the burner. Lean, stoichiometric and rich flames were examined to evaluate the dependence of ion chemistry on flame stoichiometry. Additionally, for the first time, cataloging of flame cations is performed using a high mass resolution time-of-flight mass spectrometer (TOF-MS) to distinguish ions with the same nominal mass. In the lean and stoichiometric flames, the dominant ions were HO, CHO , CHO, CHO and CHO, whereas large signals were measured for HO, CH and CHO in the rich flame. The spatial distribution of cations was compared with results from numerical simulations constrained by thermocouple-measured flame temperatures. Across all flames, the predicted HO decay rate was noticeably faster than observed experimentally. Sensitivity analysis showed that the mole fraction of HO is most sensitive to the rate of chemi-ionization CH+O↔CHO +E. To our knowledge, this work represents the first detailed measurements of positive ions in canonical low-pressure methane flames.

  18. Simulation of MILD combustion using Perfectly Stirred Reactor model

    KAUST Repository

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

    2016-01-01

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

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

    KAUST Repository

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

    2015-01-01

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

  20. "Green chemistry": os 12 princípios da química verde e sua inserção nas atividades de ensino e pesquisa Green chemistry: the 12 principles of green chemistry and it insertion in the teach and research activities

    Directory of Open Access Journals (Sweden)

    Eder João Lenardão

    2003-01-01

    Full Text Available Green chemistry ¾ defined as the design, development, and application of chemical processes and products to reduce or eliminate the use and generation of substances hazardous to human health and the environment. This article summarizes the 12 principles of green chemistry, describing how they have been applied to the academic, industrial and research activities around the world.

  1. Plants, Pollution and Public Engagement with Atmospheric Chemistry: Sharing the TEMPO Story Through Ozone Garden Activities

    Science.gov (United States)

    Reilly, L. G.; Pippin, M. R.; Malick, E.; Summers, D.; Dussault, M. E.; Wright, E. A.; Skelly, J.

    2016-12-01

    What do a snap-bean plant and a future NASA satellite instrument named TEMPO have in common? They are both indicators of the quality of the air we breathe. Scientists, educators, and museum and student collaborators of the Tropospheric Emissions: Monitoring Pollution (TEMPO) instrument team are developing a program model to engage learners of all ages via public ozone garden exhibits and associated activities. TEMPO, an ultraviolet and visible spectroscopy instrument due for launch on a geostationary host satellite between 2019 and 2021, will scan North America hourly to measure the major elements in the tropospheric ozone chemistry cycle, providing near real-time data with high temporal and spatial resolution. The TEMPO mission provides a unique opportunity to share the story of the effects of air quality on living organisms. A public ozone garden exhibit affords an accessible way to understand atmospheric science through a connection with nature, while providing a visual representation of the impact of ozone pollution on living organisms. A prototype ozone garden exhibit was established at the Virginia Living Museum in partnership with NASA Langley, and has served as a site to formatively evaluate garden planting and exhibit display protocols, hands-on interpretive activities, and citizen science data collection protocols for learners as young as 3 to 10 as well as older adults. The fun and engaging activities, optimized for adult-child interaction in informal or free-choice learning environments, are aimed at developing foundational science skills such as observing, comparing, classifying, and collecting and making sense of data in the context of thinking about air quality - all NGSS-emphasized scientific practices, as well as key capabilities for future contributing members of the citizen science community. As the launch of TEMPO approaches, a major public engagement effort will include disseminating this ozone garden exhibit and program model to a network of

  2. Secondary School Chemistry Teacher's Current Use of Laboratory Activities and the Impact of Expense on Their Laboratory Choices

    Science.gov (United States)

    Boesdorfer, Sarah B.; Livermore, Robin A.

    2018-01-01

    In the United States with the Next Generation Science Standards (NGSS)'s emphasis on learning science while doing science, laboratory activities in the secondary school chemistry continues to be an important component of a strong curriculum. Laboratory equipment and consumable materials create a unique expense which chemistry teachers and schools…

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

    KAUST Repository

    Vasu, Subith S.; Sarathy, Mani

    2013-01-01

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

  4. Engine combustion network (Ecn) : characterization and comparison of boundary conditions for different combustion vessels

    NARCIS (Netherlands)

    Meijer, M.; Somers, L.M.T.; Johnson, J.; Naber, J.; Lee, S.Y.; Malbec, L.M.; Bruneaux, G.; Pickett, L.M.; Bardi, M.; Payri, R.; Bazyn, T.

    2012-01-01

    The Engine Combustion Network (ECN) is a worldwide group of institutions using combustion vessels and/or performing computational fluid dynamics (CFD) simulation, whose aim is to advance the state of spray and combustion knowledge at engine-relevant conditions. A key activity is the use of spray

  5. Organization of a cognitive activity of students when teaching analytical chemistry

    Directory of Open Access Journals (Sweden)

    А. Tapalova

    2012-12-01

    Full Text Available Qualitative analysis allows using basic knowledge of general and inorganic chemistry for the solution of practical problems, disclosure the chemism of the processes that are fundamental for  the methods of analysis. Systematic qualitative analysis develops analytical thinking, establishes a scientific style of thinking of students.Сhemical analysis requires certain skills and abilities and develops the general chemical culture of the future teachers оn chemistry. The result can be evaluated in the course of self-control, peer review, and solving creative problems. Mastering the techniques of critical thinking (comparison, abstraction, generalization and their use in a particular chemical material - are necessary element in the formation of professional thinking of the future chemistry teacher.

  6. KfK Institute for Hot Atom Chemistry. Results report on research and development activities 1989

    International Nuclear Information System (INIS)

    1990-03-01

    The Institute for Hot Atom Chemistry is concerned with R and D tasks in nuclear fuel reprocessing. The aim is to optimize reprocessing technology with a view to safety and economic efficiency. Work is carried out within the framework of the projects reprocessing and waste management, and fast breeder in contact with WAK. The Institute increasingly carries out work within the framework of the project pollution abatement in the environment; the emphasis lies on dioxin chemistry. After the Wackersdorf task, subjects of waste management, in particular special wastes, have been added. (orig.) [de

  7. porewater chemistry experiment at Mont Terri rock laboratory. Reactive transport modelling including bacterial activity

    International Nuclear Information System (INIS)

    Tournassat, Christophe; Gaucher, Eric C.; Leupin, Olivier X.; Wersin, Paul

    2010-01-01

    Document available in extended abstract form only. An in-situ test in the Opalinus Clay formation, termed pore water Chemistry (PC) experiment, was run for a period of five years. It was based on the concept of diffusive equilibration whereby traced water with a composition close to that expected in the formation was continuously circulated and monitored in a packed off borehole. The main original focus was to obtain reliable data on the pH/pCO 2 of the pore water, but because of unexpected microbially- induced redox reactions, the objective was then changed to elucidate the biogeochemical processes happening in the borehole and to understand their impact on pH/pCO 2 and pH in the low permeability clay formation. The biologically perturbed chemical evolution of the PC experiment was simulated with reactive transport models. The aim of this modelling exercise was to develop a 'minimal-' model able to reproduce the chemical evolution of the PC experiment, i.e. the chemical evolution of solute inorganic and organic compounds (organic carbon, dissolved inorganic carbon etc...) that are coupled with each other through the simultaneous occurrence of biological transformation of solute or solid compounds, in-diffusion and out-diffusion of solute species and precipitation/dissolution of minerals (in the borehole and in the formation). An accurate description of the initial chemical conditions in the surrounding formation together with simplified kinetics rule mimicking the different phases of bacterial activities allowed reproducing the evolution of all main measured parameters (e.g. pH, TOC). Analyses from the overcoring and these simulations evidence the high buffer capacity of Opalinus clay regarding chemical perturbations due to bacterial activity. This pH buffering capacity is mainly attributed to the carbonate system as well as to the clay surfaces reactivity. Glycerol leaching from the pH-electrode might be the primary organic source responsible for

  8. SnO2 promoted by alkali metal oxides for soot combustion: The effects of surface oxygen mobility and abundance on the activity

    Science.gov (United States)

    Rao, Cheng; Shen, Jiating; Wang, Fumin; Peng, Honggen; Xu, Xianglan; Zhan, Hangping; Fang, Xiuzhong; Liu, Jianjun; Liu, Wenming; Wang, Xiang

    2018-03-01

    In this study, SnO2-based catalysts promoted by different alkali metal oxides with a Sn/M (M = Li, Na, K, Cs) molar ratio of 9/1 have been prepared for soot combustion. In comparison with the un-modified SnO2 support, the activity of the modified catalysts has been evidently enhanced, following the sequence of CsSn1-9 > KSn1-9 > NaSn1-9 > LiSn1-9 > SnO2. As testified by Raman, H2-TPR, soot-TPR-MS, XPS and O2-TPD results, the incorporation of various alkali metal oxides can induce the formation of more abundant and mobile oxygen species on the surface of the catalysts. Moreover, quantified results have proved that the amount of the surface active oxygen species is nearly proportional to the activity of the catalysts. CsSn1-9, the catalyst promoted by cesium oxide, owns the largest amount of surface mobile oxygen species, thus having the highest activity among all the studied catalysts. It is concluded that the amount of surface active and mobile oxygen species is the major factor determining the activity of the catalysts for soot combustion.

  9. Influence of Ce-precursor and fuel on structure and catalytic activity of combustion synthesized Ni/CeO{sub 2} catalysts for biogas oxidative steam reforming

    Energy Technology Data Exchange (ETDEWEB)

    Vita, Antonio, E-mail: antonio.vita@itae.cnr.it; Italiano, Cristina; Fabiano, Concetto; Laganà, Massimo; Pino, Lidia

    2015-08-01

    A series of nanosized Ni/CeO{sub 2} catalysts were prepared by Solution Combustion Synthesis (SCS) varying the fuel (oxalyldihydrazide, urea, carbohydrazide and glycerol), the cerium precursor (cerium nitrate and cerium ammonium nitrate) and the nickel loading (ranging between 3.1 and 15.6 wt%). The obtained powders were characterized by X-ray Diffraction (XRD), N{sub 2}-physisorption, CO-chemisorption, Temperature Programmed Reduction (H{sub 2}-TPR) and Scanning Electron Microscopy (SEM). The catalytic activity towards the Oxy Steam Reforming (OSR) of biogas was assessed. The selected operating variables have a strong influence on the nature of combustion and, in turn, on the morphological and structural properties of the synthesized catalysts. Particularly, the use of urea allows to improve nickel dispersion, surface area, particle size and reducibility of the catalysts, affecting positively the biogas OSR performances. - Highlights: • Synthesis of Ni/CeO{sub 2} nanopowders by quick and easy solution combustion synthesis. • The fuel and precursor drive the structural and morphological properties of the catalysts. • The use of urea as fuel allows to improve nickel dispersion, surface area and particle size. • Ni/CeO{sub 2} (7.8 wt% of Ni loading) powders synthesized by urea route exhibits high performances for the biogas OSR process.

  10. Influence of Ce-precursor and fuel on structure and catalytic activity of combustion synthesized Ni/CeO2 catalysts for biogas oxidative steam reforming

    International Nuclear Information System (INIS)

    Vita, Antonio; Italiano, Cristina; Fabiano, Concetto; Laganà, Massimo; Pino, Lidia

    2015-01-01

    A series of nanosized Ni/CeO 2 catalysts were prepared by Solution Combustion Synthesis (SCS) varying the fuel (oxalyldihydrazide, urea, carbohydrazide and glycerol), the cerium precursor (cerium nitrate and cerium ammonium nitrate) and the nickel loading (ranging between 3.1 and 15.6 wt%). The obtained powders were characterized by X-ray Diffraction (XRD), N 2 -physisorption, CO-chemisorption, Temperature Programmed Reduction (H 2 -TPR) and Scanning Electron Microscopy (SEM). The catalytic activity towards the Oxy Steam Reforming (OSR) of biogas was assessed. The selected operating variables have a strong influence on the nature of combustion and, in turn, on the morphological and structural properties of the synthesized catalysts. Particularly, the use of urea allows to improve nickel dispersion, surface area, particle size and reducibility of the catalysts, affecting positively the biogas OSR performances. - Highlights: • Synthesis of Ni/CeO 2 nanopowders by quick and easy solution combustion synthesis. • The fuel and precursor drive the structural and morphological properties of the catalysts. • The use of urea as fuel allows to improve nickel dispersion, surface area and particle size. • Ni/CeO 2 (7.8 wt% of Ni loading) powders synthesized by urea route exhibits high performances for the biogas OSR process

  11. Annual report 1983 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1984-05-01

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1983 are presented. The facilities and equipment are barely mentioned. The activities are divided into nine groups: 1. radioisotope chemistry 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry and waste disposal 6. radical chemstry 7. positron annihilation 8. mineral processing 9. general. (author)

  12. Radioanalytical chemistry

    International Nuclear Information System (INIS)

    1982-01-01

    The bibliography of Hungarian literature in the field of radioanalytical chemistry covers the four-year period 1976-1979. The list of papers contains 290 references in the alphabetical order of the first authors. The majority of the titles belongs to neutron activation analysis, labelling, separation and determination of radioactive isotopes. Other important fields like radioimmunoassay, environmental protection etc. are covered as well. (Sz.J.)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2002-07-01

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

  14. Principles of Activity Theory in analysing the process of construction of pedagogic activities with the use of mobile devices in the Chemistry learning

    Directory of Open Access Journals (Sweden)

    Liliane da Silva Coelho Jacon

    2014-06-01

    Full Text Available Mobile devices emerge as the major players to ensure a favorable resource to connect, minimizing the limitation space-time constraints among people and enabling the use of emerging mobile learning (m-learning. The use of mobile devices in pedagogic praxis implies in a closer link between teachers in their initial development and their teacher educator in order to enable the incorporation of this mobile technology in undergraduate courses. This “approach” means the facilitation of meeting to discuss, reflect and talk about the incorporation of this technology in the teaching learning process. In this research, two professors had meetings to discuss and reflect about the employment of this mobile technology in the undergraduate course. One of them, a Chemistry teacher educator and the other is a computer and education teacher-research. The methodological approach is based on a qualitative method with some elements of action-research based on theoretical assumptions of the Activity Theory (ENGESTRÖM, 1999. Therefore, the study based on the debates over the use of mobile devices in the teaching of chemistry was developed as part of the undergraduate course in Chemistry at the Federal University of Rondonia. Among a set of activities, in which students and professors were present with their objects of specific activities, was presented the Activity system related to the construction of those activities. The analysis of SA from the perspective of the 5 principles of Activity Theory points out that the process of collaborative participation in the meetings, the implementation of activities with the students of the degree course and the preparation of scientific papers demonstrated the qualitative evolution of the chemistry teacher educator

  15. Space Station Freedom combustion research

    Science.gov (United States)

    Faeth, G. M.

    1992-01-01

    Extended operations in microgravity, on board spacecraft like Space Station Freedom, provide both unusual opportunities and unusual challenges for combustion science. On the one hand, eliminating the intrusion of buoyancy provides a valuable new perspective for fundamental studies of combustion phenomena. On the other hand, however, the absence of buoyancy creates new hazards of fires and explosions that must be understood to assure safe manned space activities. These considerations - and the relevance of combustion science to problems of pollutants, energy utilization, waste incineration, power and propulsion systems, and fire and explosion hazards, among others - provide strong motivation for microgravity combustion research. The intrusion of buoyancy is a greater impediment to fundamental combustion studies than to most other areas of science. Combustion intrinsically heats gases with the resulting buoyant motion at normal gravity either preventing or vastly complicating measurements. Perversely, this limitation is most evident for fundamental laboratory experiments; few practical combustion phenomena are significantly affected by buoyancy. Thus, we have never observed the most fundamental combustion phenomena - laminar premixed and diffusion flames, heterogeneous flames of particles and surfaces, low-speed turbulent flames, etc. - without substantial buoyant disturbances. This precludes rational merging of theory, where buoyancy is of little interest, and experiments, that always are contaminated by buoyancy, which is the traditional path for developing most areas of science. The current microgravity combustion program seeks to rectify this deficiency using both ground-based and space-based facilities, with experiments involving space-based facilities including: laminar premixed flames, soot processes in laminar jet diffusion flames, structure of laminar and turbulent jet diffusion flames, solid surface combustion, one-dimensional smoldering, ignition and flame

  16. Infrared and Raman Spectroscopy: A Discovery-Based Activity for the General Chemistry Curriculum

    Science.gov (United States)

    Borgsmiller, Karen L.; O'Connell, Dylan J.; Klauenberg, Kathryn M.; Wilson, Peter M.; Stromberg, Christopher J.

    2012-01-01

    A discovery-based method is described for incorporating the concepts of IR and Raman spectroscopy into the general chemistry curriculum. Students use three sets of springs to model the properties of single, double, and triple covalent bonds. Then, Gaussian 03W molecular modeling software is used to illustrate the relationship between bond…

  17. Derivatization chemistry of the double-decker dicobalt sandwich ion targeted to design biologically active substances

    Czech Academy of Sciences Publication Activity Database

    Grüner, Bohumír; Švec, Petr; Hájková, Zuzana; Císařová, I.; Pokorná, Jana; Konvalinka, Jan

    2012-01-01

    Roč. 84, č. 11 (2012), s. 2243-2262 ISSN 0033-4545 R&D Projects: GA AV ČR IAAX00320901 Institutional support: RVO:61388980 ; RVO:61388963 Keywords : AIDS treatment * boranes * canastide ion * carboranes * dicarbollides * HIV -protease Subject RIV: CA - Inorganic Chemistry Impact factor: 3.386, year: 2012

  18. Island Explorations: Discovering Effects of Environmental Research-Based Lab Activities on Analytical Chemistry Students

    Science.gov (United States)

    Tomasik, Janice Hall; LeCaptain, Dale; Murphy, Sarah; Martin, Mary; Knight, Rachel M.; Harke, Maureen A.; Burke, Ryan; Beck, Kara; Acevedo-Polakovich, I. David

    2014-01-01

    Motivating students in analytical chemistry can be challenging, in part because of the complexity and breadth of topics involved. Some methods that help encourage students and convey real-world relevancy of the material include incorporating environmental issues, research-based lab experiments, and service learning projects. In this paper, we…

  19. Development and Use of Online Prelaboratory Activities in Organic Chemistry to Improve Students' Laboratory Experience

    Science.gov (United States)

    Chaytor, Jennifer L.; Al Mughalaq, Mohammad; Butler, Hailee

    2017-01-01

    Online prelaboratory videos and quizzes were prepared for all experiments in CHEM 231, Organic Chemistry I Laboratory. It was anticipated that watching the videos would help students be better prepared for the laboratory, decrease their anxiety surrounding the laboratory, and increase their understanding of the theories and concepts presented.…

  20. "JCE" Classroom Activity #110: Artistic Anthocyanins and Acid-Base Chemistry

    Science.gov (United States)

    Lech, Jenna; Dounin, Vladimir

    2011-01-01

    Art and science are sometimes viewed as opposing subjects, but are united in many ways. With an increased awareness of the benefits of interdisciplinary studies in education, it is desirable to show students how different subjects impact one another. Visual arts are greatly connected to chemistry in several ways. Pigments are usually synthetically…

  1. High Combustion Research Facility

    Data.gov (United States)

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

  2. Combustion Research Laboratory

    Data.gov (United States)

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

  3. Technological aspects of the radiation chemistry

    International Nuclear Information System (INIS)

    Chmielewski, A.G.

    2006-01-01

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

  4. Fundamentals of nuclear chemistry

    International Nuclear Information System (INIS)

    Majer, V.

    1982-01-01

    The author of the book has had 25 years of experience at the Nuclear Chemistry of Prague Technical University. In consequence, the book is intended as a basic textbook for students of this field. Its main objectives are an easily understandable presentation of the complex subject and in spite of the uncertainty which still characterizes the definition and subjects of nuclear chemistry - a systematic classification and logical structure. Contents: 1. Introduction (history and definition); 2. General nuclear chemistry (physical fundamentals, hot atom chemistry, interaction of nuclear radiation with matter, radioactive elements, isotope effects, isotope exchange, chemistry of radioactive trace elements); 3. Methods of nuclear chemistry of nuclear chemistry (radiochemical methods, activation, separation and enrichment chemistry); 4. Preparative nuclear chemistry (isotope production, labelled compounds); 5. Analytival nuclear chemistry; 6. Applied nuclear chemistry (isotope applications in general physical and analytical chemistry). The book is supplemented by an annex with tables, a name catalogue and a subject index which will facilitate access to important information. (RB) [de

  5. Bad chemistry

    OpenAIRE

    Petsko, Gregory A

    2004-01-01

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

  6. Liaison activities with the Institute of Physcial Chemistry of the Russian Academy of Sciences: Midyear report

    International Nuclear Information System (INIS)

    Delegard, C.H.

    1996-01-01

    The task 'IPC/RAS Liaison and Tank Waste Testing' is a program being conducted in fiscal year (FY) 1996 with the support of the U.S. Department of Energy (DOE) Office of Science and Technology, EM-53 Efficient Separations and Processing (ESP) Crosscutting Program, under the technical task plan (TTP) RLA6C342. The principal investigator is Cal Delegard of the Westinghouse Hanford Company. The task involves a technical liaison with the Institute of Physical Chemistry of the Russian Academy of Sciences (IPC/RAS) and their DOE-supported investigations into the fundamental and applied chemistry of the transuranium elements (primarily neptunium, plutonium, and americium) and technetium in at sign ine media. The task has three purposes: 1. Providing technical information and technical direction to the IPC/RAS. 2. Disseminating IPC/RAS data and information to the DOE technical community. 3. Verifying IPC/RAS results through laboratory testing and comparison with published data

  7. Liaison activities with the Institute of Physical Chemistry/Russian Academy of Science Fiscal Year 1995

    International Nuclear Information System (INIS)

    Delegard, C.H.

    1995-09-01

    Investigations into the chemistry of alkaline Hanford Site tank waste (TTP RL4-3-20-04) were conducted in Fiscal Year 1995 at Westinghouse Hanford Company under the support of the Efficient Separations and Processing Crosscutting Program (EM-53). The investigation had two main subtasks: liaison with the Institute of Physical Chemistry of the Russian Academy of Science and further laboratory testing of the chemistry of thermal reconstitution of Hanford Site tank waste. Progress, which was achieved in the liaison subtask during Fiscal Year 1995, is summarized as follows: (1) A technical dialogue has been established with Institute scientists. (2) Editing was done on a technical literature review on the chemistry of transuranic elements and technetium in alkaline media written by researchers at the Institute. The report was issued in May 1995 as a Westinghouse Hanford Company document. (3) Four tasks from the Institute were selected for support by the U.S. Department of Energy. Work on three tasks commenced on 1 March 1995; the fourth task commenced on 1 April 1995. (4) Technical information describing the composition of Hanford Site tank waste was supplied to the Institute. (5) A program review of the four tasks was conducted at the Institute during a visit 25 August to 1 September, 1995. A lecture on the origin, composition, and proposed treatment of Hanford Site tank wastes was presented during this visit. Eight additional tasks were proposed by Institute scientists for support in Fiscal Year 1996. (6) A paper was presented at the Fifth International Conference on Radioactive Waste Management and Environmental Remediation (ICEM'95) in Berlin, Germany on 3 to 9 September, 1995 on the solubility of actinides in alkaline media

  8. Summary report for April, May, and June 1950. Chemistry Divison

    Energy Technology Data Exchange (ETDEWEB)

    Osborne, D. W. [ed.

    1950-07-27

    A summary of activities for the Chemistry Division is reported for April-June 1950. Areas reporting activity include: Nuclear and Radiation Chemistry, Physical and Inorganic Chemistry, and Process Chemistry.

  9. Rotary combustion device

    NARCIS (Netherlands)

    2008-01-01

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

  10. Complex chemistry

    International Nuclear Information System (INIS)

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

    2006-06-01

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

  11. Mathematical Chemistry

    OpenAIRE

    Trinajstić, Nenad; Gutman, Ivan

    2002-01-01

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

  12. Materials for High-Temperature Catalytic Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Ersson, Anders

    2003-04-01

    Catalytic combustion is an environmentally friendly technique to combust fuels in e.g. gas turbines. Introducing a catalyst into the combustion chamber of a gas turbine allows combustion outside the normal flammability limits. Hence, the adiabatic flame temperature may be lowered below the threshold temperature for thermal NO{sub X} formation while maintaining a stable combustion. However, several challenges are connected to the application of catalytic combustion in gas turbines. The first part of this thesis reviews the use of catalytic combustion in gas turbines. The influence of the fuel has been studied and compared over different catalyst materials. The material section is divided into two parts. The first concerns bimetallic palladium catalysts. These catalysts showed a more stable activity compared to their pure palladium counterparts for methane combustion. This was verified both by using an annular reactor at ambient pressure and a pilot-scale reactor at elevated pressures and flows closely resembling the ones found in a gas turbine combustor. The second part concerns high-temperature materials, which may be used either as active or washcoat materials. A novel group of materials for catalysis, i.e. garnets, has been synthesised and tested in combustion of methane, a low-heating value gas and diesel fuel. The garnets showed some interesting abilities especially for combustion of low-heating value, LHV, gas. Two other materials were also studied, i.e. spinels and hexa aluminates, both showed very promising thermal stability and the substituted hexa aluminates also showed a good catalytic activity. Finally, deactivation of the catalyst materials was studied. In this part the sulphur poisoning of palladium, platinum and the above-mentioned complex metal oxides has been studied for combustion of a LHV gas. Platinum and surprisingly the garnet were least deactivated. Palladium was severely affected for methane combustion while the other washcoat materials were

  13. Combustion 2000

    Energy Technology Data Exchange (ETDEWEB)

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

    2001-06-30

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

  14. Annual report 1985 Chemistry Department

    International Nuclear Information System (INIS)

    1987-01-01

    This annual report describes the activities carried out in 1985 by the Chemistry Department in the following fields: Chemistry, Inorganic Chemistry, Physicochemistry (Interphases, Surfaces), General Chemical Analysis, Active Materials Analysis, X Ray Fluorescence Analysis, Mass Spectroscopy (Isotopic Analysis, Instrumentation) and Optical Spectroscopy. A list of publications is enclosed. (M.E.L.) [es

  15. Reduced NOX combustion method

    International Nuclear Information System (INIS)

    Delano, M.A.

    1991-01-01

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

  16. Radiation chemistry in nuclear technology

    International Nuclear Information System (INIS)

    Katsumura, Yosuke

    2006-01-01

    The importance of radiation chemistry in the field of nuclear technology including reactor chemistry, spent fuel reprocessing and radioactive high level waste repository, is summarized and, in parallel, our research activity will be briefly presented. (author)

  17. HMI Department of Radiation Chemistry: Results of scientific activities in 1984

    International Nuclear Information System (INIS)

    1985-01-01

    In the radiation chemistry department of the Hahn-Meitner-Institute in Berlin, 4 subjects are treated largely the progress of which made in 1984 is herein reported: 1) Interface processes and energy conversion (reaction pathways of photoinduced charge carriers and their in energy conversion mechanisms); 2) Pulse radiolysis (generation and investigation of shortlived chemically quick-reacting particles); 3) Kinematics (reciprocal action with ion, atom and molecule collisions; clarification of the dynamics of chemical reactions; 4) Insulators and plastics/physical and chemical primary processes when these materials are subjected to high-energy radiation, light or UV light). A list of publications and lectures is added to complement the description of results gained from R and D work. (BR) [de

  18. Synthesis of amphiphilic aminated inulin via 'click chemistry' and evaluation for its antibacterial activity.

    Science.gov (United States)

    Dong, Fang; Zhang, Jun; Yu, Chunwei; Li, Qing; Ren, Jianming; Wang, Gang; Gu, Guodong; Guo, Zhanyong

    2014-09-15

    Inulins are a group of abundant, water-soluble, renewable polysaccharides, which exhibit attractive bioactivities and natural properties. Improvement such as chemical modification of inulin is often performed prior to further utilization. We hereby presented a method to modify inulin at its primary hydroxyls to synthesize amphiphilic aminated inulin via 'click chemistry' to facilitate its chemical manipulation. Additionally, its antibacterial property against Staphylococcus aureus (S. aureus) was also evaluated and the best inhibitory index against S. aureus was 58% at 1mg/mL. As the amphiphilic aminated inulin is easy to prepare and exhibits improved bioactivity, this material may represent as an attractive new platform for chemical modifications of inulin. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Project-focused activity and knowledge tracker: a unified data analysis, collaboration, and workflow tool for medicinal chemistry project teams.

    Science.gov (United States)

    Brodney, Marian D; Brosius, Arthur D; Gregory, Tracy; Heck, Steven D; Klug-McLeod, Jacquelyn L; Poss, Christopher S

    2009-12-01

    Advances in the field of drug discovery have brought an explosion in the quantity of data available to medicinal chemists and other project team members. New strategies and systems are needed to help these scientists to efficiently gather, organize, analyze, annotate, and share data about potential new drug molecules of interest to their project teams. Herein we describe a suite of integrated services and end-user applications that facilitate these activities throughout the medicinal chemistry design cycle. The Automated Data Presentation (ADP) and Virtual Compound Profiler (VCP) processes automate the gathering, organization, and storage of real and virtual molecules, respectively, and associated data. The Project-Focused Activity and Knowledge Tracker (PFAKT) provides a unified data analysis and collaboration environment, enhancing decision-making, improving team communication, and increasing efficiency.

  20. 7-Chloroquinolinotriazoles: synthesis by the azide-alkyne cycloaddition click chemistry, antimalarial activity, cytotoxicity and SAR studies.

    Science.gov (United States)

    Pereira, Guilherme R; Brandão, Geraldo Célio; Arantes, Lucas M; de Oliveira, Háliton A; de Paula, Renata Cristina; do Nascimento, Maria Fernanda A; dos Santos, Fábio M; da Rocha, Ramon K; Lopes, Júlio César D; de Oliveira, Alaíde Braga

    2014-02-12

    Twenty-seven 7-chloroquinolinotriazole derivatives with different substituents in the triazole moiety were synthesized via copper-catalyzed cycloaddition (CuAAC) click chemistry between 4-azido-7-chloroquinoline and several alkynes. All the synthetic compounds were evaluated for their in vitro activity against Plasmodium falciparum (W2) and cytotoxicity to Hep G2A16 cells. All the products disclosed low cytotoxicity (CC50 > 100 μM) and five of them have shown moderate antimalarial activity (IC50 from 9.6 to 40.9 μM). As chloroquine analogs it was expected that these compounds might inhibit the heme polymerization and SAR studies were performed aiming to explain their antimalarial profile. New structural variations can be designed on the basis of the results obtained. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

  1. Well-Defined Molybdenum Oxo Alkyl Complex Supported on Silica by Surface Organometallic Chemistry: A Highly Active Olefin Metathesis Precatalyst

    KAUST Repository

    Merle, Nicolas; Le Qué mé ner, Fré dé ric; Bouhoute, Yassine; Szeto, Kai C.; De Mallmann, Aimery; Barman, Samir; Samantaray, Manoja; Delevoye, Laurent; Gauvin, Ré gis M.; Taoufik, Mostafa; Basset, Jean-Marie

    2016-01-01

    The well-defined silica-supported molybdenum oxo alkyl species (SiO−)MoO(CH Bu) was selectively prepared by grafting of MoO(CH Bu)Cl onto partially dehydroxylated silica (silica) using the surface organometallic chemistry approach. This surface species was fully characterized by elemental analysis and DRIFT, solid-state NMR, and EXAFS spectroscopy. This new material is related to the active species of industrial supported MoO/SiO olefin metathesis catalysts. It displays very high activity in propene self-metathesis at mild (turnover number = 90 000 after 25 h). Remarkably, its catalytic performance outpaces those of the parent imido derivative and its tungsten oxo analogue.

  2. Well-Defined Molybdenum Oxo Alkyl Complex Supported on Silica by Surface Organometallic Chemistry: A Highly Active Olefin Metathesis Precatalyst

    KAUST Repository

    Merle, Nicolas

    2016-12-05

    The well-defined silica-supported molybdenum oxo alkyl species (SiO−)MoO(CH Bu) was selectively prepared by grafting of MoO(CH Bu)Cl onto partially dehydroxylated silica (silica) using the surface organometallic chemistry approach. This surface species was fully characterized by elemental analysis and DRIFT, solid-state NMR, and EXAFS spectroscopy. This new material is related to the active species of industrial supported MoO/SiO olefin metathesis catalysts. It displays very high activity in propene self-metathesis at mild (turnover number = 90 000 after 25 h). Remarkably, its catalytic performance outpaces those of the parent imido derivative and its tungsten oxo analogue.

  3. Investigating co-combustion characteristics of bamboo and wood.

    Science.gov (United States)

    Liang, Fang; Wang, Ruijuan; Jiang, Changle; Yang, Xiaomeng; Zhang, Tao; Hu, Wanhe; Mi, Bingbing; Liu, Zhijia

    2017-11-01

    To investigate co-combustion characteristics of bamboo and wood, moso bamboo and masson pine were torrefied and mixed with different blend ratios. The combustion process was examined by thermogravimetric analyzer (TGA). The results showed the combustion process of samples included volatile emission and oxidation combustion as well as char combustion. The main mass loss of biomass blends occurred at volatile emission and oxidation combustion stage, while that of torrefied biomass occurred at char combustion stage. With the increase of bamboo content, characteristic temperatures decreased. Compared with untreated biomass, torrefied biomass had a higher initial and burnout temperature. With the increase of heating rates, combustion process of samples shifted to higher temperatures. Compared with non-isothermal models, activation energy obtained from isothermal model was lower. The result is helpful to promote development of co-combustion of bamboo and masson pine wastes. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. High Structure Active Learning Pedagogy for the Teaching of Organic Chemistry: Assessing the Impact on Academic Outcomes

    Science.gov (United States)

    Crimmins, Michael T.; Midkiff, Brooke

    2017-01-01

    Organic Chemistry is a required course for programs in chemistry, biology, and many health science careers. It has historically been considered a highly challenging course with significant failure rates. As with many science disciplines, the teaching of Organic Chemistry has traditionally focused on unstructured exposition-centered delivery of…

  5. Reduction of 68Ge activity containing liquid waste from 68Ga PET chemistry in nuclear medicine and radiopharmacy by solidification.

    Science.gov (United States)

    de Blois, Erik; Chan, Ho Sze; Roy, Kamalika; Krenning, Eric P; Breeman, Wouter A P

    PET with 68 Ga from the TiO 2 - or SnO 2 - based 68 Ge/ 68 Ga generators is of increasing interest for PET imaging in nuclear medicine. In general, radionuclidic purity ( 68 Ge vs. 68 Ga activity) of the eluate of these generators varies between 0.01 and 0.001%. Liquid waste containing low amounts of 68 Ge activity is produced by eluting the 68 Ge/ 68 Ga generators and residues from PET chemistry. Since clearance level of 68 Ge activity in waste may not exceed 10 Bq/g, as stated by European Directive 96/29/EURATOM, our purpose was to reduce 68 Ge activity in solution from >10 kBq/g to <10 Bq/g; which implies the solution can be discarded as regular waste. Most efficient method to reduce the 68 Ge activity is by sorption of TiO 2 or Fe 2 O 3 and subsequent centrifugation. The required 10 Bq per mL level of 68 Ge activity in waste was reached by Fe 2 O 3 logarithmically, whereas with TiO 2 asymptotically. The procedure with Fe 2 O 3 eliminates ≥90% of the 68 Ge activity per treatment. Eventually, to simplify the processing a recirculation system was used to investigate 68 Ge activity sorption on TiO 2 , Fe 2 O 3 or Zeolite. Zeolite was introduced for its high sorption at low pH, therefore 68 Ge activity containing waste could directly be used without further interventions. 68 Ge activity containing liquid waste at different HCl concentrations (0.05-1.0 M HCl), was recirculated at 1 mL/min. With Zeolite in the recirculation system, 68 Ge activity showed highest sorption.

  6. SYMPOSIUM ON TURBULENCE AND COMBUSTION - SPECIAL SYMPOSIUM TO BRING TOGETHER TOP RESEARCHERS IN THE FIELDS OF FLUID TURBULENCE AND COMBUSTION TO PROMOTE ADVANCES IN TURBULENT, REACTING FLOWS

    Energy Technology Data Exchange (ETDEWEB)

    Caughey, David

    2010-10-08

    A Symposium on Turbulence and Combustion was held at Cornell University on August 3-4, 2009. The overall goal of the Symposium was to promote future advances in the study of turbulence and combustion, through an unique forum intended to foster interactions between leading members of these two research communities. The Symposium program consisted of twelve invited lectures given by world-class experts in these fields, two poster sessions consisting of nearly 50 presentations, an open forum, and other informal activities designed to foster discussion. Topics covered in the lectures included turbulent dispersion, wall-bounded flows, mixing, finite-rate chemistry, and others, using experiment, modeling, and computations, and included perspectives from an international community of leading researchers from academia, national laboratories, and industry.

  7. Adsorption of a Textile Dye on Commercial Activated Carbon: A Simple Experiment to Explore the Role of Surface Chemistry and Ionic Strength

    Science.gov (United States)

    Martins, Angela; Nunes, Nelson

    2015-01-01

    In this study, an adsorption experiment is proposed using commercial activated carbon as adsorbent and a textile azo dye, Mordant Blue-9, as adsorbate. The surface chemistry of the activated carbon is changed through a simple oxidation treatment and the ionic strength of the dye solution is also modified, simulating distinct conditions of water…

  8. Chemistry Dashboard

    Science.gov (United States)

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

  9. Combustion Research Facility

    Data.gov (United States)

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

  10. Aquatic Chemistry

    International Nuclear Information System (INIS)

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

    1987-07-01

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

  11. Positronium chemistry

    CERN Document Server

    Green, James

    1964-01-01

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

  12. Maximal combustion temperature estimation

    International Nuclear Information System (INIS)

    Golodova, E; Shchepakina, E

    2006-01-01

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

  13. Prebiotic chemistry and atmospheric warming of early Earth by an active young Sun

    Science.gov (United States)

    Airapetian, V. S.; Glocer, A.; Gronoff, G.; Hébrard, E.; Danchi, W.

    2016-06-01

    Nitrogen is a critical ingredient of complex biological molecules. Molecular nitrogen, however, which was outgassed into the Earth’s early atmosphere, is relatively chemically inert and nitrogen fixation into more chemically reactive compounds requires high temperatures. Possible mechanisms of nitrogen fixation include lightning, atmospheric shock heating by meteorites, and solar ultraviolet radiation. Here we show that nitrogen fixation in the early terrestrial atmosphere can be explained by frequent and powerful coronal mass ejection events from the young Sun--so-called superflares. Using magnetohydrodynamic simulations constrained by Kepler Space Telescope observations, we find that successive superflare ejections produce shocks that accelerate energetic particles, which would have compressed the early Earth’s magnetosphere. The resulting extended polar cap openings provide pathways for energetic particles to penetrate into the atmosphere and, according to our atmospheric chemistry simulations, initiate reactions converting molecular nitrogen, carbon dioxide and methane to the potent greenhouse gas nitrous oxide as well as hydrogen cyanide, an essential compound for life. Furthermore, the destruction of N2, CO2 and CH4 suggests that these greenhouse gases cannot explain the stability of liquid water on the early Earth. Instead, we propose that the efficient formation of nitrous oxide could explain a warm early Earth.

  14. Localized chemistry of 99Tc in simulated low activity waste glass

    Science.gov (United States)

    Weaver, Jamie L.

    A priority of the United States Department of Energy (DOE) is to dispose of the nuclear waste accumulated in the underground tanks at the Hanford Nuclear Reservation in Richland, WA. Incorporation and stabilization of technetium (99Tc) from these tanks into vitrified waste forms is a concern to the waste glass community and DOE due to 99Tc's long half-life ( 2.13˙105 y), and its high mobility in the subsurface environment under oxidizing conditions. Working in collaboration with researchers at Pacific Northwest National Laboratory (PNNL) and other national laboratories, plans were formulated to obtain first-of-a-kind chemical structure determination of poorly understood and environmentally relevant technetium compounds that relate to the chemistry of the Tc in nuclear waste glasses. Knowledge of the structure and spectral signature of these compounds aid in refining the understanding of 99Tc incorporation into and release from oxide based waste glass. In this research a first-of-its kind mechanism for the behavior of 99Tc during vitrification is presented, and the structural role of Tc(VII) and (IV) in borosilicate waste glasses is readdressed.

  15. Prebiotic Chemistry and Atmospheric Warming of Early Earth by an Active Young Sun

    Science.gov (United States)

    Airapetian, V. S.; Glocer, A.; Gronoff, G.; Hebrard, E.; Danchi, W.

    2016-01-01

    Nitrogen is a critical ingredient of complex biological molecules. Molecular nitrogen, however, which was outgassed Into the Earth's early atmosphere, is relatively chemically inert and nitrogen fixation into more chemically reactive compounds requires high temperatures. Possible mechanisms of nitrogen fixation include lightning, atmospheric shock heating by meteorites, and solar ultraviolet radiation. Here we show that nitrogen fixation in the early terrestrial atmosphere can be explained by frequent and powerful coronal mass ejection events from the young Sun -- so-called superflares. Using magnetohydrodynamic simulations constrained by Kepler Space Telescope observations, we find that successive superflare ejections produce shocks that accelerate energetic particles, which would have compressed the early Earth's magnetosphere. The resulting extended polar cap openings provide pathways for energetic particles to penetrate into the atmosphere and, according to our atmospheric chemistry simulations, initiate reactions converting molecular nitrogen, carbon dioxide and methane to the potent greenhouse gas nitrous oxide as well as hydrogen cyanide, an essential compound for life. Furthermore, the destruction of N2, C02 and CH, suggests that these greenhouse gases cannot explain the stability of liquid water on the early Earth. Instead, we propose that the efficient formation of nitrous oxide could explain a warm early Earth.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-07-01

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

  17. Research activity of institute of physical chemistry of Russian Academy of sciences in the field of nuclear fuel cycle

    Energy Technology Data Exchange (ETDEWEB)

    Pikaev, A.K. [Institute of Physical Chemistry of Russian Academy of Sciences, Moscow (Russian Federation)

    2000-07-01

    The report is a brief review of the most important directions in research activity of the Institute of Physical Chemistry of RAS (Moscow) in the field of nuclear fuel cycle. The main attention is paid to researches and developments on liquid radioactive waste management including the removal of wastes to deep geological formations and the immobilization of the wastes. In particular, the data from the study on the properties of new, basaltic-like matrices for the immobilization are presented. The results of research on gas evolution from the systems modeling liquid high-level radioactive wastes are considered. The separation of some radionuclides from irradiated nuclear and the production of radiation sources by various methods are discussed. (author)

  18. Design performances and chemistry program supporting the FA3/UK-EPR (TM) Activity Management: Experience and Modelling Balance

    International Nuclear Information System (INIS)

    Tigeras, A.; Bachet, M.; Bremmes, O.; Berger, M.; Clinard, M.H.; Jolivet, P.; Chahma, F.

    2012-01-01

    Several methodologies have been applied to evaluate the source term in the primary circuit and to define the appropriate chemistry conditioning for the EPR reactor. These methodologies are based on nuclear power plant (NPP) feedback experience, laboratory data and modelling considerations. It is concluded that the activity risks are understood and can be managed with EPR design options. A strategy for the chemical conditioning of the primary coolant has been defined through the specifications for 3 parameters: pH, Zn and H 2 whose target and limit values are based on NPP feedback, international experimental data from laboratory tests, theoretical studies and numerical simulations. The material inventory selected for the primary components will allow low dose rates and low crud formation despite the high power level of the EPR reactor

  19. Tapioca starch: An efficient fuel in gel-combustion synthesis of photocatalytically and anti-microbially active ZnO nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ramasami, Alamelu K. [Centre for Nano and Material Sciences, Jain University, Jakkasandra, Kanakapura (T) (India); Raja Naika, H. [Dept. of Biotechnology, University College of Science, Tumkur University, Tumkur (India); Nagabhushana, H. [CNR Rao Centre for Advanced Materials, Tumkur University, Tumkur (India); Ramakrishnappa, T.; Balakrishna, Geetha R. [Centre for Nano and Material Sciences, Jain University, Jakkasandra, Kanakapura (T) (India); Nagaraju, G., E-mail: nagarajugn@rediffmail.com [Centre for Nano and Material Sciences, Jain University, Jakkasandra, Kanakapura (T) (India); Dept. of Chemistry, Siddaganga Institute of Technology, Tumkur (India)

    2015-01-15

    Zinc oxide nanoparticles were synthesized by gel-combustion method using novel bio-fuel tapioca starch pearls, derived from the tubers of Manihotesculenta. The product is characterized using various techniques. The X-ray diffraction pattern correspond to a hexagonal zincite structure. Fourier transform infrared spectrum showed main absorption peaks at 394 and 508 cm{sup −} {sup 1} due to stretching vibration of Zn–O. Ultravoilet–visible spectrum of zinc oxide nanoparticles showed absorption maximum at 373 nm whereas the maximum of the bulk zinc oxide was 377 nm. The morphology of the product was studied using scanning electron microscopy and transmission electron microscopy. The scanning electron microscopic images showed that the products are agglomerated and porous in nature. The transmission electron microscopic images revealed spherical particles of 40–50 nm in diameter. The photocatalytic degradation of methylene blue was examined using zinc oxide nanoparticles and found more efficient in sunlight than ultra-violet light due to reduced band gap. The antibacterial properties of zinc oxide nanoparticles were investigated against four bacterial strains Klebsiella aerogenes, Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aereus, where Pseudomonas aeruginosa and Staphylococcus aereus exhibited significant antibacterial activity in agar well diffusion method when compared to positive control. - Highlights: • ZnO nanoparticles have been prepared from a new bio-fuel, tapioca starch by gel combustion method. • XRD pattern revealed hexagonal zincite crystal structure with crystallite size 33 nm. • ZnO nanoparticles exhibited a band gap of 2.70 eV. • The ZnO nanoparticles exhibited superior degradation in sunlight in comparison with UV light. • The product showed a good anti-bacterial activity against two bacterial strains.

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

    Energy Technology Data Exchange (ETDEWEB)

    Lartigue, G.

    2004-11-15

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

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

    Directory of Open Access Journals (Sweden)

    Hamdi Mohamed

    2009-01-01

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

  2. Chemistry and radiochemistry of As, Re and Rh isotopes relevant to radiopharmaceutical applications: high specific activity radionuclides for imaging and treatment.

    Science.gov (United States)

    Feng, Yutian; Phelps, Tim E; Carroll, Valerie; Gallazzi, Fabio; Sieckman, Gary; Hoffman, Timothy J; Barnes, Charles L; Ketring, Alan R; Hennkens, Heather M; Jurisson, Silvia S

    2017-10-31

    The chemistry and radiochemistry of high specific activity radioisotopes of arsenic, rhenium and rhodium are reviewed with emphasis on University of Missouri activities over the past several decades, and includes recent results. The nuclear facilities at the University of Missouri (10 MW research reactor and 16.5 MeV GE PETtrace cyclotron) allow research and development into novel theranostic radionuclides. The production, separation, enriched target recovery, radiochemistry, and chelation chemistry of 72,77 As, 186,188 Re and 105 Rh are discussed.

  3. HMI scientific report - chemistry 1987

    International Nuclear Information System (INIS)

    1989-01-01

    Results of the R and D activities of the Radiation Chemistry Department, Hahn-Meitner-Institut, are reported, primarily dealing with the following subjects: Interface processes and energy conversion, high-energy photochemistry and radiation chemistry as well as trace elements chemistry. A list of publications and lectures is added and gives a view on results obtained in research and development. (EF) [de

  4. Division of Analytical Chemistry, 1998

    DEFF Research Database (Denmark)

    Hansen, Elo Harald

    1999-01-01

    The article recounts the 1998 activities of the Division of Analytical Chemistry (DAC- formerly the Working Party on Analytical Chemistry, WPAC), which body is a division of the Federation of European Chemical Societies (FECS). Elo Harald Hansen is the Danish delegate, representing The Danish...... Chemical Society/The Society for Analytical Chemistry....

  5. Adsorption of sodium dodecylbenzenesulfonate on activated carbons: effects of solution chemistry and presence of bacteria.

    Science.gov (United States)

    Bautista-Toledo, M I; Méndez-Díaz, J D; Sánchez-Polo, M; Rivera-Utrilla, J; Ferro-García, M A

    2008-01-01

    The objective of the present investigation was to determine the effectiveness of activated carbon in removing sodium dodecylbenzenesulfonate (SDBS) and to analyze the chemical and textural characteristics of the activated carbons that are involved in the adsorption process. Studies were also performed on the influence of operational variables (pH, ionic strength, and presence of microorganisms) and on the kinetics and interactions involved in the adsorption of this pollutant on activated carbon. The kinetics study of SDBS adsorption revealed no problems in its diffusion on any of the activated carbons studied, and Weisz-Prater coefficient (C WP) values were considerably lower than unity for all activated carbons studied. SDBS adsorption isotherms on these activated carbons showed that: (i) adsorption capacity of activated carbons was very high (260-470 mg/g) and increased with larger surface area; and (ii) dispersive interactions between SDBS and carbon surface were largely responsible for the adsorption of this pollutant. SDBS adsorption was not significantly affected by the solution pH, indicating that electrostatic adsorbent-adsorbate interactions do not play an important role in this process. The presence of electrolytes (NaCl) in the medium favors SDBS adsorption, accelerating the process and increasing adsorption capacity. Under the working conditions used, SDBS is not degraded by bacteria; however, the presence of bacteria during the process accelerates and increases SDBS adsorption on the activated carbon. Microorganism adsorption on the activated carbon surface increases its hydrophobicity, explaining the results observed.

  6. Steady state HNG combustion modeling

    Energy Technology Data Exchange (ETDEWEB)

    Louwers, J.; Gadiot, G.M.H.J.L. [TNO Prins Maurits Lab., Rijswijk (Netherlands); Brewster, M.Q. [Univ. of Illinois, Urbana, IL (United States); Son, S.F. [Los Alamos National Lab., NM (United States); Parr, T.; Hanson-Parr, D. [Naval Air Warfare Center, China Lake, CA (United States)

    1998-04-01

    Two simplified modeling approaches are used to model the combustion of Hydrazinium Nitroformate (HNF, N{sub 2}H{sub 5}-C(NO{sub 2}){sub 3}). The condensed phase is treated by high activation energy asymptotics. The gas phase is treated by two limit cases: the classical high activation energy, and the recently introduced low activation energy approach. This results in simplification of the gas phase energy equation, making an (approximate) analytical solution possible. The results of both models are compared with experimental results of HNF combustion. It is shown that the low activation energy approach yields better agreement with experimental observations (e.g. regression rate and temperature sensitivity), than the high activation energy approach.

  7. New Concept of C–H and C–C Bond Activation via Surface Organometallic Chemistry

    KAUST Repository

    Samantaray, Manoja; Dey, Raju; Kavitake, Santosh Giridhar; Basset, Jean-Marie

    2015-01-01

    In this chapter we describe the recent applications of well-defined oxidesupported metal alkyls/alkylidenes/alkylidynes and hydrides of group IV, V, and VI transition metals in the field of C–H and C–C bond activation. The activation of ubiquitous C

  8. Radionuclides in analytical chemistry

    International Nuclear Information System (INIS)

    Tousset, J.

    1984-01-01

    Applications of radionuclides in analytical chemistry are reviewed in this article: tracers, radioactive sources and activation analysis. Examples are given in all these fields and it is concluded that these methods should be used more widely [fr

  9. Uncertainties in hydrogen combustion

    International Nuclear Information System (INIS)

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

    1988-01-01

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

  10. Mathematical problems for chemistry students

    CERN Document Server

    Pota, Gyorgy

    2011-01-01

    Mathematical Problems for Chemistry Students has been compiled and written (a) to help chemistrystudents in their mathematical studies by providing them with mathematical problems really occurring in chemistry (b) to help practising chemists to activate their applied mathematical skills and (c) to introduce students and specialistsof the chemistry-related fields (physicists, mathematicians, biologists, etc.) intothe world of the chemical applications.Some problems of the collection are mathematical reformulations of those in the standard textbooks of chemistry, others we

  11. Implementation and Evaluation of Web-Based Learning Activities on Bonding and the Structure of Matter for 10-th Grade Chemistry

    Science.gov (United States)

    Frailich, Marcel

    This study deals with the development, implementation, and evaluation of web-based activities associated with the topic of chemical bonding , as taught in 10th grade chemistry. A website was developed entitled: "Chemistry and the Chemical Industry in the Service of Mankind", its URL is: http://stwww.weizmann.ac.il/g-chem/learnchem (Kesner, Frailich, & Hofstein, 2003). The main goal of this study was to assess the educational effectiveness of website activities dealing with the chemical bonding concept. These activities include visualization tools, as well as topics relevant to daily life and industrial applications. The study investigated the effectiveness of a web-based learning environment regarding the understanding of chemical bonding concepts, students' perceptions of the classroom learning environment, their attitudes regarding the relevance of learning chemistry to everyday life, and their interest in chemistry studies. As mentioned before, in the present study we focused on activities (from the website), all of which deal with chemical bonding concept. The following are the reasons for the decision to focus on this topic: (1) Chemical bonding is a key concept that is taught in 10th grade chemistry in high school. It provides the basis for many other chemistry topics that are taught later, and (2) Chemical bonding is a difficult for students using existing tools (e. g., static models in books, ball-and- stick models), which are insufficient to demonstrate the abstract nature phenomena associated with this topic. The four activities developed for this study are (1) models of the atomic structure, (2) metals -- structure and properties, (3) ionic substances in everyday life and in industry, and (4) molecular substances -- structure, properties, and uses. The study analyzed both quantitative and qualitative research. The quantitative tools of the study included: A Semantic Differential questionnaire and a Chemistry Classroom Web-Based Learning Environment

  12. Chlorophyll fluorescence, Orbital and Photosynthesis: practical activities integrating concepts of Chemistry, Physics and Biology

    Directory of Open Access Journals (Sweden)

    Elgion Lucio da Silva Loreto

    2013-11-01

    Full Text Available These laboratory activities explore the relationship between the reserve of energy that occur during photosynthesis and the chlorophyll fluorescence emission when in solution as opposed to absence of fluorescence when the chlorophyll are in intact chloroplasts. This proposal can be used as short demo or as  activities with longer duration, to show chlorophyll's properties associated with the photosynthesis. The materials proposed for the implementation of the activities are simple, and possible to building it by the students, enabling the development of various skills and experimental proposals. The protocols are based on observations and record key questions to continue the execution. During the activities, questions promotes pauses for moments of reflection and review of concepts. At the end are presented and discussed proposals for development of interdisciplinary projects.

  13. Green chemistry approach to the synthesis of potentially bioactive aminobenzylated Mannich bases through active hydrogen compounds

    Directory of Open Access Journals (Sweden)

    S. L. VASOYA

    2005-10-01

    Full Text Available An efficient and high yield method for the synthesis of aminobenzylated Mannich bases is described. The synthesis occurs in aqueous medium at 0 ºC. The compounds show moderate antitubercular and antimicrobial activities.

  14. New class of combustion processes

    International Nuclear Information System (INIS)

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

    1975-01-01

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

  15. Click Chemistry-Facilitated Structural Diversification of Nitrothiazoles, Nitrofurans, and Nitropyrroles Enhances Antimicrobial Activity against Giardia lamblia

    Science.gov (United States)

    Kim, Wan Jung; Korthals, Keith A.; Li, Suhua; Le, Christine; Kalisiak, Jarosław; Sharpless, K. Barry; Fokin, Valery V.; Miyamoto, Yukiko

    2017-01-01

    ABSTRACT Giardia lamblia is an important and ubiquitous cause of diarrheal disease. The primary agents in the treatment of giardiasis are nitroheterocyclic drugs, particularly the imidazoles metronidazole and tinidazole and the thiazole nitazoxanide. Although these drugs are generally effective, treatment failures occur in up to 20% of cases, and resistance has been demonstrated in vivo and in vitro. Prior work had suggested that side chain modifications of the imidazole core can lead to new effective 5-nitroimidazole drugs that can combat nitro drug resistance, but the full potential of nitroheterocycles other than imidazole to yield effective new antigiardial agents has not been explored. Here, we generated derivatives of two clinically utilized nitroheterocycles, nitrothiazole and nitrofuran, as well as a third heterocycle, nitropyrrole, which is related to nitroimidazole but has not been systematically investigated as an antimicrobial drug scaffold. Click chemistry was employed to synthesize 442 novel nitroheterocyclic compounds with extensive side chain modifications. Screening of this library against representative G. lamblia strains showed a wide spectrum of in vitro activities, with many of the compounds exhibiting superior activity relative to reference drugs and several showing >100-fold increase in potency and the ability to overcome existing forms of metronidazole resistance. The majority of new compounds displayed no cytotoxicity against human cells, and several compounds were orally active against murine giardiasis in vivo. These findings provide additional impetus for the systematic development of nitroheterocyclic compounds with nonimidazole cores as alternative and improved agents for the treatment of giardiasis and potentially other infectious agents. PMID:28396548

  16. Surface chemistry of a viscose-based activated carbon cloth modified by treatment with ammonia and steam

    Energy Technology Data Exchange (ETDEWEB)

    Boudou, J.P. [University of Paris, Paris (France)

    2003-07-01

    The influence of ammonia treatment at 800{sup o}C on the catalytic activity of a viscose-based activated carbon cloth (ACC) was evaluated for the oxidative retention of H{sub 2}S or SO{sub 2} at room temperature. Change in the surface chemistry was observed by X-ray spectroscopy of nitrogen (N1s) and by temperature programmed desorption (TPD). Dynamic adsorption of H{sub 2}S or SO{sub 2} in moist air onto a packed bed of activated carbon cloth was monitored by measurement of the breakthrough curves at room temperature. ACC modified by ammonia showed noteworthy enhanced SO{sub 2} and H{sub 2}S loading relative to the untreated ACC. Improved SO{sub 2} retention rate could be replicated several times after regeneration by washing at room temperature, in contrast to the case with H{sub 2}S. The likely reasons for the behavior of H{sub 2}S and SO{sub 2} on the ammonia-treated ACC are discussed with reference to the recent literature.

  17. Determination of {sup 60} Co by means of Neutron Activation Analysis in the sorption of Co in synthesized porous oxides by the combustion method; Determinacion de {sup 60} Co por medio de AAN en la sorcion de Co en oxidos porosos sintetizados por metodo de combustion

    Energy Technology Data Exchange (ETDEWEB)

    Lugo, V.; Bulbulian, S.; Urena, F. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)]. e-mail: violelugo@yahoo.es

    2005-07-01

    Recently inorganic materials are investigating as sorbent of radioactive pollutants present in water. The inorganic oxides belong to this group of materials. A quick method exists for the obtaining of inorganic oxides, denominated combustion method that could be used to produce porous oxides successfully with good properties for the sorption of radioactive ions. In this investigation, iron oxides, magnesium and zinc were synthesized obtained by the combustion method, comparing them with those synthesized by the calcination method, using two different synthesis temperatures. The obtained solids were characterized by scanning electron microscopy (Sem), by X-ray diffraction (XRD) and by semiquantitative elemental analysis (EDS). After the characterization, the crystalline oxides synthesized by both methods, to temperature of 800 C, were evaluated as sorbents in the removal of Co{sup 2+} ions, through experiments in batch, and using neutron activation analysis, determining the sorption percentage, with this it was concluded that the magnesium oxide produced by combustion it is more effective in the removal of Co{sup 2+} ions than that synthesized by calcination. It was determined the surface area of the magnesium oxides, obtaining a surface area greater for the synthesized oxide by combustion method. (Author)

  18. Antibacterial activity of biochemically capped iron oxide nanoparticles: A view towards green chemistry.

    Science.gov (United States)

    Irshad, Rabia; Tahir, Kamran; Li, Baoshan; Ahmad, Aftab; R Siddiqui, Azka; Nazir, Sadia

    2017-05-01

    A green approach to fabricate nanoparticles has been evolved as a revolutionary discipline. Eco-compatible reaction set ups, use of non-toxic materials and production of highly active biological and photocatalytic products are few benefits of this greener approach. Here, we introduce a green method to synthesize Fe oxide NPs using Punica granatum peel extract. The formation of Fe oxide NPs was optimized using different concentrations of peel extract (20mL, 40mL and 60mL) to achieve small size and better morphology. The results indicate that the FeNPs, obtained using 40mL concentration of peel extract possess the smallest size. The morphology, size and crystallinity of NPs was confirmed by implementing various techniques i.e. UV-Vis spectroscopy, X-ray diffraction, Scanning Electron Microscopy and Electron Diffraction Spectroscopy. The bio-chemicals responsible for reduction and stabilization of FeNPs were confirmed by FT-IR analysis. The biogenic FeNPs were tested for their size dependent antibacterial activity. The biogenic FeNPs prepared in 40mL extract concentrations exhibited strongest antibacterial activity against Pseudomonas aeruginosa i.e. 22 (±0.5) mm than FeNPs with 20mL and 60mL extract concentrations i.e. 18 (±0.4) mm and 14 (±0.3) mm respectively. The optimized FeNPs with 40mL peel extract are not only highly active for ROS generation but also show no hemolytic activity. Thus, FeNPs synthesized using the greener approach are found to have high antibacterial activity along with biocompatibility. This high antibacterial activity can be referred to small size and large surface area. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Adverse effects of erythromycin on the structure and chemistry of activated sludge

    International Nuclear Information System (INIS)

    Louvet, J.N.; Giammarino, C.; Potier, O.; Pons, M.N.

    2010-01-01

    This study examines the effects of erythromycin on activated sludge from two French urban wastewater treatment plants (WWTPs). Wastewater spiked with 10 mg/L erythromycin inhibited the specific evolution rate of chemical oxygen demand (COD) by 79% (standard deviation 34%) and the specific N-NH 4 + evolution rate by 41% (standard deviation 25%). A temporary increase in COD and tryptophan-like fluorescence, as well as a decrease in suspended solids, were observed in reactors with wastewater containing erythromycin. The destruction of activated sludge flocs was monitored by automated image analysis. The effect of erythromycin on nitrification was variable depending on the sludge origin. Erythromycin inhibited the specific nitrification rate in sludge from one WWTP, but increased the nitrification rate at the other facility. - Erythromycin toxicity on activated sludge is expected to reduce pollution removal.

  20. Microwave-Assisted Combustion Synthesis of Nano Iron Oxide/Iron-Coated Activated Carbon, Anthracite, Cellulose Fiber, and Silica, with Arsenic Adsorption Studies

    Directory of Open Access Journals (Sweden)

    Mallikarjuna N. Nadagouda

    2011-01-01

    Full Text Available Combustion synthesis of iron oxide/iron coated carbons such as activated carbon, anthracite, cellulose fiber, and silica is described. The reactions were carried out in alumina crucibles using a Panasonic kitchen microwave with inverter technology, and the reaction process was completed within a few minutes. The method used no additional fuel and nitrate, which is present in the precursor itself, to drive the reaction. The obtained samples were then characterized with X-ray mapping, scanning electron microscopy (SEM, energy dispersive X-ray analysis (EDS, selected area diffraction pattern (SAED, transmission electron microscopy (TEM, X-ray diffraction (XRD, and inductively coupled plasma (ICP spectroscopy. The size of the iron oxide/iron nanoparticle-coated activated carbon, anthracite, cellulose fiber, and silica samples were found to be in the nano range (50–400 nm. The iron oxide/iron nanoparticles mostly crystallized into cubic symmetry which was confirmed by SAED. The XRD pattern indicated that iron oxide/iron nano particles existed in four major phases. That is, γ-Fe2O3, α-Fe2O3, Fe3O4, and Fe. These iron-coated activated carbon, anthracite, cellulose fiber, and silica samples were tested for arsenic adsorption through batch experiments, revealing that few samples had significant arsenic adsorption.

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

    CERN Document Server

    Modest, Michael F

    2016-01-01

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

  2. Combustion modeling in internal combustion engines

    Science.gov (United States)

    Zeleznik, F. J.

    1976-01-01

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

  3. The revenue generated from clinical chemistry and hematology laboratory services as determined using activity-based costing (ABC) model.

    Science.gov (United States)

    Adane, Kasaw; Abiy, Zenegnaw; Desta, Kassu

    2015-01-01

    The rapid and continuous growth of health care cost aggravates the frequently low priority and less attention given in financing laboratory services. The poorest countries have the highest out-of-pocket spending as a percentage of income. Higher charges might provide a greater potential for revenue. If fees raise quality sufficiently, it can enhance usage. Therefore, estimating the revenue generated from laboratory services could help in capacity building and improved quality service provision. Panel study design was used to determine revenue generated from clinical chemistry and hematology services at Tikur Anbessa Specialized Teaching Hospital, Addis Ababa, Ethiopia. Activity-Based Costing (ABC) model was used to determine the true cost of tests performed from October 2011 to December 2011 in the hospital. The principle of Activity-based Costing is that activities consume resources and activities consumed by services which incur the costs and hence service takes the cost of resources. All resources with costs are aggregated with the established casual relationships. The process maps designed was restructured in consultation with the senior staffs working and/or supervising the laboratory and pretested checklists were used for observation. Moreover, office documents, receipts and service bills were used while collecting data. The amount of revenue collected from services was compared with the cost of each subsequent test and the profitability or return on investment (ROI) of services was calculated. Data were collected, entered, cleaned, and analyzed using Microsoft Excel 2007 software program and Statistical Software Package for Social Sciences version 19 (SPSS). Paired sample t test was used to compare the price and cost of each test. P-value less than 0.05 were considered as statistically significant. A total of 25,654 specimens were analyzed during 3 months of regular working hours. The total numbers of clinical chemistry and hematology tests performed during

  4. Mutagenesis of the redox-active disulfide in mercuric ion reductase: Catalysis by mutant enzymes restricted to flavin redox chemistry

    International Nuclear Information System (INIS)

    Distefano, M.D.; Au, K.G.; Walsh, C.T.

    1989-01-01

    Mercuric reductase, a flavoenzyme that possesses a redox-active cystine, Cys 135 Cys 140 , catalyzes the reduction of Hg(II) to Hg(0) by NADPH. As a probe of mechanism, the authors have constructed mutants lacking a redox-active disulfide by eliminating Cys 135 (Ala 135 Cys 140 ), Cys 14 (Cys 135 Ala 140 ), or both (Ala 135 Ala 140 ). Additionally, they have made double mutants that lack Cys 135 (Ala 135 Cys 139 Cys 140 ) or Cys 140 (Cys 135 Cys 139 Ala 140 ) but introduce a new Cys in place of Gly 139 with the aim of constructing dithiol pairs in the active site that do not form a redox-active disulfide. The resulting mutant enzymes all lack redox-active disulfides and are hence restricted to FAD/FADH 2 redox chemistry. Each mutant enzyme possesses unique physical and spectroscopic properties that reflect subtle differences in the FAD microenvironment. Preliminary evidence for the Ala 135 Cys 139 Cys 14 mutant enzyme suggests that this protein forms a disulfide between the two adjacent Cys residues. Hg(II) titration experiments that correlate the extent of charge-transfer quenching with Hg(II) binding indicate that the Ala 135 Cys 140 protein binds Hg(II) with substantially less avidity than does the wild-type enzyme. All mutant mercuric reductases catalyze transhydrogenation and oxygen reduction reactions through obligatory reduced flavin intermediates at rates comparable to or greater than that of the wild-type enzyme. In multiple-turnover assays which monitored the production of Hg(0), two of the mutant enzymes were observed to proceed through at least 30 turnovers at rates ca. 1000-fold slower than that of wild-type mercuric reductase. They conclude that the Cys 135 and Cys 140 thiols serve as Hg(II) ligands that orient the Hg(II) for subsequent reduction by a reduced flavin intermediate

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

    Science.gov (United States)

    Sexton, Scott Michael

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

  6. How active ingredient localisation in plant tissues determines the targeted pest spectrum of different chemistries

    DEFF Research Database (Denmark)

    Buchholz, Anke; Trapp, Stefan

    2016-01-01

    information sets revealed that the intracellular localisation of active ingredients determines the performance of test compounds against different target pests because of different feeding behaviours: mites feed on mesophyll, and aphids and whiteflies mostly in the vascular system. Polar compounds have a slow...

  7. Using the Activity Model of Inquiry to Enhance General Chemistry Students' Understanding of Nature of Science

    Science.gov (United States)

    Marchlewicz, Sara C.; Wink, Donald J.

    2011-01-01

    Nature of science refers to the processes of scientific activity and the social and cultural premises involved in the creation of scientific knowledge. Having an informed view of nature of science is important in the development of scientifically literate citizens. However, students often come to the classroom with misconceptions about nature of…

  8. The Chemistry of Self-Heating Food Products: An Activity for Classroom Engagement

    Science.gov (United States)

    Oliver-Hoyo, Maria T.; Pinto, Gabriel; Llorens-Molina, Juan Antonio

    2009-01-01

    Two commercial self-heating food products have been used to apply chemical concepts such as stoichiometry, enthalpies of reactions and solutions, and heat transfer in a classroom activity. These products are the self-heating beverages sold in Europe and the Meals, Ready to Eat or MREs used primarily by the military in the United States. The main…

  9. Biologically active perspective synthesis of heteroannulated 8-nitroquinolines with green chemistry approach.

    Science.gov (United States)

    Arasakumar, Thangaraj; Mathusalini, Sadasivam; Gopalan, Subashini; Shyamsivappan, Selvaraj; Ata, Athar; Mohan, Palathurai Subramaniam

    2017-04-01

    A new class of pyrazolo[4,3-c]quinoline (5a-i, 7a-b) and pyrano[3,2-c]quinoline (9a-i) derivatives were designed and synthesized in moderate to good yields by microwave conditions. To enhance the yield of pyrano[3,2-c]quinoline derivatives, multicomponent one-pot synthesis has been developed. The synthesized compounds were identified by spectral and elemental analyses. Compounds 9a and 9i showed good antibacterial activity against Gram-positive and Gram-negative bacterial strains. All of the new compounds exhibited weak to moderate antioxidant activity, compound 9d exerted significant antioxidant power. The cytotoxicity of these compounds were also evaluated against MCF-7 (breast) and A549 (Lung) cancer cell lines. Most of the compounds displayed moderate to good cytotoxic activity against these cell lines. Compound 9i was found to be significantly active in this assay and also induced cell death by apoptosis. Molecular docking studies were carried out using EGFR inhibitor in order to determine the molecular interactions. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. The N2O activation by Rh5 clusters. A quantum chemistry study.

    Science.gov (United States)

    Olvera-Neria, Oscar; Avilés, Roberto; Francisco-Rodríguez, Héctor; Bertin, Virineya; García-Cruz, Raúl; González-Torres, Julio César; Poulain, Enrique

    2015-04-01

    Nitrous oxide (N2O) is a by-product of exhaust pipe gases treatment produced by motor vehicles. Therefore, the N2O reduction to N2 is necessary to meet the actual environmental legislation. The N2O adsorption and dissociation assisted by the square-based pyramidal Rh5 cluster was investigated using the density functional theory and the zero-order regular approximation (ZORA). The Rh5 sextet ground state is the most active in N2O dissociation, though the quartet and octet states are also active because they are degenerate. The Rh5 cluster spontaneously activates the N2─O cleavage, and the reaction is highly exothermic ca. -75 kcal mol(-1). The N2─O breaking is obtained for the geometrical arrangement that maximizes the overlap and electron transfers between the N2O and Rh5 frontier orbitals. The Rh5 high activity is due to the Rh 3d orbitals are located between the N2O HOMO and LUMO orbitals, which makes possible the interactions between them. In particular, the O 2p states strongly interact with Rh 3d orbitals, which finally weaken the N2─O bond. The electron transfer is from the Rh5 HOMO orbital to the N2O antibonding orbital.

  11. Boiler using combustible fluid

    Science.gov (United States)

    Baumgartner, H.; Meier, J.G.

    1974-07-03

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

  12. Turbulent Combustion Modeling Advances, New Trends and Perspectives

    CERN Document Server

    Echekki, Tarek

    2011-01-01

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

  13. Organic chemistry

    International Nuclear Information System (INIS)

    2003-08-01

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

  14. Radiation chemistry

    Energy Technology Data Exchange (ETDEWEB)

    None

    1973-07-01

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

  15. Students' perceptions of teaching in context-based and traditional chemistry classrooms : Comparing content, learning activities, and interpersonal perspectives

    NARCIS (Netherlands)

    Overman, Michelle; Vermunt, Jan D.; Meijer, Paulien C.; Bulte, Astrid M W; Brekelmans, Mieke

    2014-01-01

    Context-based curriculum reforms in chemistry education are thought to bring greater diversity to the ways in which chemistry teachers organize their teaching. First and foremost, students are expected to perceive this diversity. However, empirical research on how students perceive their teacher's

  16. Engaging Participation and Promoting Active Learning through Student Usage of the Internet to Create Notes for General Chemistry in Class

    Science.gov (United States)

    Henry, Renee Monica

    2017-01-01

    Reported here is a study of an interactive component to General Chemistry I and General Chemistry II where a new pedagogy for taking notes in class was developed. These notes, called key word created class notes, prompted students to locate information using the Internet guided by a key word. Reference Web sites were added to a next generation of…

  17. The Role of Green Chemistry Activities in Fostering Secondary School Students' Understanding of Acid-Base Concepts and Argumentation Skills

    Science.gov (United States)

    Karpudewan, Mageswary; Roth, Wolff Michael; Sinniah, Devananthini

    2016-01-01

    In a world where environmental degradation is taking on alarming levels, understanding, and acting to minimize, the individual environmental impact is an important goal for many science educators. In this study, a green chemistry curriculum--combining chemistry experiments with everyday, environmentally friendly substances with a student-centered…

  18. Digestibility, growth, blood chemistry, and enzyme activity of juvenile Oreochromis niloticus fed isocaloric diets containing animal and plant byproducts

    Directory of Open Access Journals (Sweden)

    Magnolia Montoya-Mejía

    Full Text Available ABSTRACT In this work, we studied the digestibility, growth, blood chemistry, and enzyme activity of Nile tilapia (Oreochromis niloticus juveniles (0.95±0.18 g using different animal (fish silage meal, whey meal, bovine blood meal, and red crab meal and plant (extruded bean, extruded chickpea meal, coconut paste, Jatropha curcas meal, and chickpea meal dietary byproducts. Nine isocaloric diets (321.92±9.10 kcal g−1 were evaluated for 60 days. The highest digestibility of crude protein values for animal and plant sources were obtained for the whey (93.6 and extruded bean meal (90.5 diets, respectively. The final body weight was higher for the red crab and extruded chickpea meal diets, meanwhile the fish silage and red crab byproducts obtained the highest protein efficiency ratio. Hematocrit was similar among the diets of each byproduct source and presented correlation with growth parameters. The highest glucose, cholesterol, and triglyceride values were obtained for fish silage (138.0, 260.5, and 389.0 mg dL−1, respectively and whey meal (174.5, 242.3, and 284.0 mg dL−1, respectively groups. A positive correlation was found between the digestibility of crude protein of ingredients and chymotrypsin activity. Oreochromis niloticus is able to better utilize fish silage, whey, extruded bean, and extruded chickpea byproducts, adjusting its digestive physiology. Such ingredients can be used for formulating cheaper and efficient tilapia diets.

  19. Hydrochemical evaluation of the influences of mining activities on river water chemistry in central northern Mongolia.

    Science.gov (United States)

    Batsaikhan, Bayartungalag; Kwon, Jang-Soon; Kim, Kyoung-Ho; Lee, Young-Joon; Lee, Jeong-Ho; Badarch, Mendbayar; Yun, Seong-Taek

    2017-01-01

    Although metallic mineral resources are most important in the economy of Mongolia, mining activities with improper management may result in the pollution of stream waters, posing a threat to aquatic ecosystems and humans. In this study, aiming to evaluate potential impacts of metallic mining activities on the quality of a transboundary river (Selenge) in central northern Mongolia, we performed hydrochemical investigations of rivers (Tuul, Khangal, Orkhon, Haraa, and Selenge). Hydrochemical analysis of river waters indicates that, while major dissolved ions originate from natural weathering (especially, dissolution of carbonate minerals) within watersheds, they are also influenced by mining activities. The water quality problem arising from very high turbidity is one of the major environmental concerns and is caused by suspended particles (mainly, sediment and soil particles) from diverse erosion processes, including erosion of river banks along the meandering river system, erosion of soils owing to overgrazing by livestock, and erosion by human activities, such as mining and agriculture. In particular, after passing through the Zaamar gold mining area, due to the disturbance of sediments and soils by placer gold mining, the Tuul River water becomes very turbid (up to 742 Nephelometric Turbidity Unit (NTU)). The Zaamar area is also the contamination source of the Tuul and Orkhon rivers by Al, Fe, and Mn, especially during the mining season. The hydrochemistry of the Khangal River is influenced by heavy metal (especially, Mn, Al, Cd, and As)-loaded mine drainage that originates from a huge tailing dam of the Erdenet porphyry Cu-Mo mine, as evidenced by δ 34 S values of dissolved sulfate (0.2 to 3.8 ‰). These two contaminated rivers (Tuul and Khangal) merge into the Orkhon River that flows to the Selenge River near the boundary between Mongolia and Russia and then eventually flows into Lake Baikal. Because water quality problems due to mining can be critical

  20. Database of Small Molecule Thermochemistry for Combustion

    KAUST Repository

    Goldsmith, C. Franklin; Magoon, Gregory R.; Green, William H.

    2012-01-01

    High-accuracy ab initio thermochemistry is presented for 219 small molecules relevant in combustion chemistry, including many radical, biradical, and triplet species. These values are critical for accurate kinetic modeling. The RQCISD(T)/cc-PV∞QZ//B3LYP/6-311++G(d,p) method was used to compute the electronic energies. A bond additivity correction for this method has been developed to remove systematic errors in the enthalpy calculations, using the Active Thermochemical Tables as reference values. On the basis of comparison with the benchmark data, the 3σ uncertainty in the standard-state heat of formation is 0.9 kcal/mol, or within chemical accuracy. An uncertainty analysis is presented for the entropy and heat capacity. In many cases, the present values are the most accurate and comprehensive numbers available. The present work is compared to several published databases. In some cases, there are large discrepancies and errors in published databases; the present work helps to resolve these problems. © 2012 American Chemical Society.

  1. Database of Small Molecule Thermochemistry for Combustion

    KAUST Repository

    Goldsmith, C. Franklin

    2012-09-13

    High-accuracy ab initio thermochemistry is presented for 219 small molecules relevant in combustion chemistry, including many radical, biradical, and triplet species. These values are critical for accurate kinetic modeling. The RQCISD(T)/cc-PV∞QZ//B3LYP/6-311++G(d,p) method was used to compute the electronic energies. A bond additivity correction for this method has been developed to remove systematic errors in the enthalpy calculations, using the Active Thermochemical Tables as reference values. On the basis of comparison with the benchmark data, the 3σ uncertainty in the standard-state heat of formation is 0.9 kcal/mol, or within chemical accuracy. An uncertainty analysis is presented for the entropy and heat capacity. In many cases, the present values are the most accurate and comprehensive numbers available. The present work is compared to several published databases. In some cases, there are large discrepancies and errors in published databases; the present work helps to resolve these problems. © 2012 American Chemical Society.

  2. Technetium chemistry

    International Nuclear Information System (INIS)

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

    1996-01-01

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

  3. LIEKKI 2 - Combustion technology is environmental technology

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-12-31

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

  4. Ant-mediated effects on spruce litter decomposition, solution chemistry, and microbial activity

    DEFF Research Database (Denmark)

    Stadler, B.; Schramm, Andreas; Kalbitz, K.

    2006-01-01

    the effects of ants and aphid honeydew on litter solution of Norway spruce, microbial enzyme activities, and needle decomposition in a field and greenhouse experiment during summer 2003. In the field, low ant densities had relatively little effects on litter solution 30 cm away from a tree trunk...... and %N were not affected by ants or honeydew. Our results suggest that ants have a distinct and immediate effect on solution composition and microbial activity in the litter layer indicating accelerated litter decay whereas the effect of honeydew was insignificant. Keywords: Ants; Decomposition; Formica......Forest management practices often generate clear-cut patches, which may be colonized by ants not present in the same densities in mature forests. In addition to the associated changes in abiotic conditions ants can initiate processes, which do not occur in old-growth stands. Here, we analyse...

  5. Nanostructured manganese oxides as highly active water oxidation catalysts: a boost from manganese precursor chemistry.

    Science.gov (United States)

    Menezes, Prashanth W; Indra, Arindam; Littlewood, Patrick; Schwarze, Michael; Göbel, Caren; Schomäcker, Reinhard; Driess, Matthias

    2014-08-01

    We present a facile synthesis of bioinspired manganese oxides for chemical and photocatalytic water oxidation, starting from a reliable and versatile manganese(II) oxalate single-source precursor (SSP) accessible through an inverse micellar molecular approach. Strikingly, thermal decomposition of the latter precursor in various environments (air, nitrogen, and vacuum) led to the three different mineral phases of bixbyite (Mn2 O3 ), hausmannite (Mn3 O4 ), and manganosite (MnO). Initial chemical water oxidation experiments using ceric ammonium nitrate (CAN) gave the maximum catalytic activity for Mn2 O3 and MnO whereas Mn3 O4 had a limited activity. The substantial increase in the catalytic activity of MnO in chemical water oxidation was demonstrated by the fact that a phase transformation occurs at the surface from nanocrystalline MnO into an amorphous MnOx (1activities of water oxidation catalysts has been proposed by determining the amount of accessible manganese centers. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Lump wood combustion process

    Science.gov (United States)

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

    2014-08-01

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

  7. Combustion products of 1,3-butadiene inhibit catalase activity and induce expression of oxidative DNA damage repair enzymes in human bronchial epithelial cells.

    Science.gov (United States)

    Kennedy, Christopher H; Catallo, W James; Wilson, Vincent L; Mitchell, James B

    2009-10-01

    1,3-Butadiene, an important petrochemical, is commonly burned off when excess amounts need to be destroyed. This combustion process produces butadiene soot (BDS), which is composed of a complex mixture of polycyclic aromatic hydrocarbons in particulates ranging in size from enzyme inactivation due to protein amino acid oxidation and (2) induce oxidative DNA damage in NHBE cells. Thus, our aims were to determine the effect of butadiene soot ethanol extract (BSEE) on both enzyme activity and the expression of proteins involved in the repair of oxidative DNA damage. Catalase was found to be sensitive to BDS as catalase activity was potently diminished in the presence of BSEE. Using Western analysis, both the alpha isoform of human 8-oxoguanine DNA glycosylase (alpha-hOGG1) and human apurinic/apyrimidinic endonuclease (APE-1) were shown to be significantly overexpressed as compared to untreated controls after exposure of NHBE cells to BSEE. Our results indicate that BSEE is capable of effectively inactivating the antioxidant enzyme catalase, presumably via oxidation of protein amino acids. The presence of oxidized biomolecules may partially explain the extranuclear fluorescence that is detected when NHBE cells are treated with an organic extract of BDS. Overexpression of both alpha-hOGG1 and APE-1 proteins following treatment of NHBE cells with BSEE suggests that this mixture causes oxidative DNA damage.

  8. Molecular simulation of receptors of physiologically active compounds for purposes of medical chemistry

    Science.gov (United States)

    Baskin, Igor I.; Palyulin, Vladimir A.; Zefirov, Nikolai S.

    2009-06-01

    The general strategy of the molecular simulation of biological receptors and their interaction with ligands is considered. The procedures for construction of 3D protein models, molecular docking, evaluation of model quality, determination of the free energy of protein binding with ligands are discussed. The methods of molecular design of new medicaments based on molecular models of biological targets: virtual screening and de novo design, are presented. Examples of the above-listed approaches for the simulation of a number of pharmacologically significant receptors, analysis of receptor-ligand interactions and design of new biologically active organic compounds are given.

  9. Molecular simulation of receptors of physiologically active compounds for purposes of medical chemistry

    International Nuclear Information System (INIS)

    Baskin, Igor I; Palyulin, Vladimir A; Zefirov, Nikolai S

    2009-01-01

    The general strategy of the molecular simulation of biological receptors and their interaction with ligands is considered. The procedures for construction of 3D protein models, molecular docking, evaluation of model quality, determination of the free energy of protein binding with ligands are discussed. The methods of molecular design of new medicaments based on molecular models of biological targets: virtual screening and de novo design, are presented. Examples of the above-listed approaches for the simulation of a number of pharmacologically significant receptors, analysis of receptor-ligand interactions and design of new biologically active organic compounds are given.

  10. Molecular simulation of receptors of physiologically active compounds for purposes of medical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Baskin, Igor I; Palyulin, Vladimir A; Zefirov, Nikolai S [Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow (Russian Federation)

    2009-06-30

    The general strategy of the molecular simulation of biological receptors and their interaction with ligands is considered. The procedures for construction of 3D protein models, molecular docking, evaluation of model quality, determination of the free energy of protein binding with ligands are discussed. The methods of molecular design of new medicaments based on molecular models of biological targets: virtual screening and de novo design, are presented. Examples of the above-listed approaches for the simulation of a number of pharmacologically significant receptors, analysis of receptor-ligand interactions and design of new biologically active organic compounds are given.

  11. Modular Synthesis of Biologically Active Phosphatidic Acid Probes Using Click Chemistry

    Science.gov (United States)

    Smith, Matthew D.; Sudhahar, Christopher G.; Gong, Denghuang; Stahelin, Robert V.

    2018-01-01

    Phosphatidic acid (PA) is an important signaling lipid that plays roles in a range of biological processes including both physiological and pathophysiological events. PA is one of a number of signaling lipids that can act as site-specific ligands for protein receptors in binding events that enforce membrane-association and generally regulate both receptor function and subcellular localization. However, elucidation of the full scope of PA activities has proven problematic, primarily due to the lack of a consensus sequence among PA-binding receptors. Thus, experimental approaches, such as those employing lipid probes, are necessary for characterizing interactions at the molecular level. Herein, we describe an efficient modular approach to the synthesis of a range of PA probes that employs a late stage introduction of reporter groups. This strategy was exploited in the synthesis of PA probes bearing fluorescent and photoaffinity tags as well as a bifunctional probe containing both a photoaffinity moiety and an azide as a secondary handle for purification purposes. To discern the ability of these PA analogues to mimic the natural lipid in protein binding properties, each compound was incorporated into vesicles for binding studies using a known PA receptor, the C2 domain of PKCα. In these studies, each compound exhibited binding properties that were comparable to those of synthetic PA, indicating their viability as probes for effectively studying the activities of PA in cellular processes. PMID:19668861

  12. Atmospheric Chemistry Measurements in Schools and Outreach Activities with Low-cost Air Quality Sensors

    Science.gov (United States)

    Fleming, Z.; Monks, P. S.; McKenzie, K.

    2014-12-01

    The increasing range of low cost air quality sensors entering the market-place or being developed in-house in the last couple of years has led to many possibilities for using these instruments for public outreach activities or citizen science projects. A range of instruments sent out into local schools for the children to interpret and analyse the data and put the air quality in their area into context. A teaching package with tutorials has been developed to bring the data to life and link in with curriculum.The instruments have also been positioned around the city of Leicester in the UK to help understand the spatial variations in air quality and to assess the impact of retro-fitting buses on a busy bus route. The data is easily accessible online on a near real time basis and the various instruments can be compared with others around the country or the world from classrooms around the world.We will give an overview of the instrumentation with a comparison with commercial and cutting edge research instrumentation, the type of activities that were carried out and the public outreach forums where the data can be used.

  13. Chemistry and in vitro antioxidant activity of volatile oil and oleoresins of black pepper (Piper nigrum).

    Science.gov (United States)

    Kapoor, I P S; Singh, Bandana; Singh, Gurdip; De Heluani, Carola S; De Lampasona, M P; Catalan, Cesar A N

    2009-06-24

    Essential oil and oleoresins (ethanol and ethyl acetate) of Piper nigrum were extracted by using Clevenger and Soxhlet apparatus, respectively. GC-MS analysis of pepper essential oil showed the presence of 54 components representing about 96.6% of the total weight. beta-Caryophylline (29.9%) was found as the major component along with limonene (13.2%), beta-pinene (7.9%), sabinene (5.9%), and several other minor components. The major component of both ethanol and ethyl acetate oleoresins was found to contain piperine (63.9 and 39.0%), with many other components in lesser amounts. The antioxidant activities of essential oil and oleoresins were evaluated against mustard oil by peroxide, p-anisidine, and thiobarbituric acid. Both the oil and oleoresins showed strong antioxidant activity in comparison with butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT) but lower than that of propyl gallate (PG). In addition, their inhibitory action by FTC method, scavenging capacity by DPPH (2,2'-diphenyl-1-picrylhydrazyl radical), and reducing power were also determined, proving the strong antioxidant capacity of both the essential oil and oleoresins of pepper.

  14. Chemistry of ash-leachates to monitor volcanic activity: An application to Popocatepetl volcano, central Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Armienta, M.A., E-mail: victoria@geofisica.unam.mx [Universidad Nacional Autonoma de Mexico, Instituto de Geofisica, Circuito Exterior, C.U., Mexico 04510 D.F. (Mexico); De la Cruz-Reyna, S. [Universidad Nacional Autonoma de Mexico, Instituto de Geofisica, Circuito Exterior, C.U., Mexico 04510 D.F. (Mexico); Soler, A. [Grup de Mineralogia Aplicada i Medi Ambient, Dep. Cristal.lografia, Mineralogia i Diposits Minerals, Fac. Geologia, Universidad de Barcelona (Spain); Cruz, O.; Ceniceros, N.; Aguayo, A. [Universidad Nacional Autonoma de Mexico, Instituto de Geofisica, Circuito Exterior, C.U., Mexico 04510 D.F. (Mexico)

    2010-08-15

    Monitoring volcanic activity and assessing volcanic risk in an on-going eruption is a problem that requires the maximum possible independent data to reduce uncertainty. A quick, relatively simple and inexpensive method to follow the development of an eruption and to complement other monitoring parameters is the chemical analysis of ash leachates, particularly in the case of eruptions related to dome emplacement. Here, the systematic analysis of SO{sub 4}{sup 2-}, Cl{sup -} and F{sup -} concentrations in ash leachates is proposed as a valuable tool for volcanic activity monitoring. However, some results must be carefully assessed, as is the case for S/Cl ratios, since eruption of hydrothermally altered material may be confused with degassing of incoming magma. Sulfur isotopes help to identify SO{sub 4} produced by hydrothermal processes from magmatic SO{sub 2}. Lower S isotopic values correlated with higher F{sup -} percentages represent a better indicator of fresh magmatic influence that may lead to stronger eruptions and emplacement of new lava domes. Additionally, multivariate statistical analysis helps to identify different eruption characteristics, provided that the analyses are made over a long enough time to sample different stages of an eruption.

  15. Chemistry of ash-leachates to monitor volcanic activity: An application to Popocatepetl volcano, central Mexico

    International Nuclear Information System (INIS)

    Armienta, M.A.; De la Cruz-Reyna, S.; Soler, A.; Cruz, O.; Ceniceros, N.; Aguayo, A.

    2010-01-01

    Monitoring volcanic activity and assessing volcanic risk in an on-going eruption is a problem that requires the maximum possible independent data to reduce uncertainty. A quick, relatively simple and inexpensive method to follow the development of an eruption and to complement other monitoring parameters is the chemical analysis of ash leachates, particularly in the case of eruptions related to dome emplacement. Here, the systematic analysis of SO 4 2- , Cl - and F - concentrations in ash leachates is proposed as a valuable tool for volcanic activity monitoring. However, some results must be carefully assessed, as is the case for S/Cl ratios, since eruption of hydrothermally altered material may be confused with degassing of incoming magma. Sulfur isotopes help to identify SO 4 produced by hydrothermal processes from magmatic SO 2 . Lower S isotopic values correlated with higher F - percentages represent a better indicator of fresh magmatic influence that may lead to stronger eruptions and emplacement of new lava domes. Additionally, multivariate statistical analysis helps to identify different eruption characteristics, provided that the analyses are made over a long enough time to sample different stages of an eruption.

  16. Nuclear Chemistry, exercises

    International Nuclear Information System (INIS)

    Savio, E.; Saucedo, E.

    2002-01-01

    Those exercises have as objective to introduce the student in the basic concepts of nuclear chemistry: a) way of decline b) balances of mass used in nuclear reactions c) how to calculate activities, activity concentrations and specific activity d) radiotracers use in biomedical sciences pharmaceutical

  17. Thermogravimetric analysis of biowastes during combustion

    International Nuclear Information System (INIS)

    Otero, M.; Sanchez, M.E.; Gomez, X.; Moran, A.

    2010-01-01

    The combustion of sewage sludge (SS), animal manure (AM) and the organic fraction of municipal solid waste (OFMSW) was assessed and compared with that of a semianthracite coal (SC) and of a PET waste by thermogravimetric (TG) analysis. Differences were found in the TG curves obtained for the combustion of these materials accordingly to their respective proximate analysis. Non-isothermal thermogravimetric data were used to assess the kinetics of the combustion of these biowastes. The present paper reports on the application of the Vyazovkin model-free isoconversional method for the evaluation of the activation energy necessary for the combustion of these biowastes. The activation energy related to SS combustion (129.1 kJ/mol) was similar to that corresponding to AM (132.5 kJ/mol) while the OFMSW showed a higher value (159.3 kJ/mol). These values are quite higher than the one determined in the same way for the combustion of SC (49.2 kJ/mol) but lower than that for the combustion of a PET waste (165.6 kJ/mol).

  18. Flameless Combustion Workshop

    National Research Council Canada - National Science Library

    Gutmark, Ephraim

    2005-01-01

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

  19. Research Combustion Laboratory (RCL)

    Data.gov (United States)

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

  20. Combustion Byproducts Recycling Consortium

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-08-31

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

  1. Sweet chemistry: a green way for obtaining selenium nanoparticles active against cancer cells

    International Nuclear Information System (INIS)

    Vieira, Adriana P.; Stein, Erika M.; Ferreira, Ana Maria D.C.; Colepicolo, Pio; Andreguetti, Daniel X.; Cebrián-Torrejón, Gerardo; Doménech-Carbó, Antonio

    2017-01-01

    We present an environment friendly synthesis of selenium nanoparticles and the study of their cytotoxic activity against uterine sarcoma cancer and fibroblasts cells. Amorphous selenium (a-SeNPs) and trigonal selenium (t-SeNPs) were synthesized using D-fructose as the reducing agent and characterized by high-resolution transmission electron microscopy (HRTEM), energy dispersive X-ray spectroscopy (EDX), powder X-ray diffraction analysis (XRD), inductively coupled plasma optical emission spectrometry (ICP OES), dynamic light scattering (DLS) to obtain zeta potential values and cyclic voltammetry (CV). Particularly, a-SeNPs presented high toxicity toward the resistant cancer cell line MES-SA/Dx5 and its parental MES-SA line. However, they are not toxic against P4 fibroblast cells in comparative studies. (author)

  2. Sweet chemistry: a green way for obtaining selenium nanoparticles active against cancer cells

    Energy Technology Data Exchange (ETDEWEB)

    Vieira, Adriana P.; Stein, Erika M.; Ferreira, Ana Maria D.C.; Colepicolo, Pio, E-mail: apiresvieira@gmail.com [Universidade de São Paulo (USP), São Paulo-SP (Brazil); Andreguetti, Daniel X.; Cebrián-Torrejón, Gerardo; Doménech-Carbó, Antonio [Departament de Química Analítica, Facultat de Química, Universitat de València, Valencia (Spain)

    2017-07-01

    We present an environment friendly synthesis of selenium nanoparticles and the study of their cytotoxic activity against uterine sarcoma cancer and fibroblasts cells. Amorphous selenium (a-SeNPs) and trigonal selenium (t-SeNPs) were synthesized using D-fructose as the reducing agent and characterized by high-resolution transmission electron microscopy (HRTEM), energy dispersive X-ray spectroscopy (EDX), powder X-ray diffraction analysis (XRD), inductively coupled plasma optical emission spectrometry (ICP OES), dynamic light scattering (DLS) to obtain zeta potential values and cyclic voltammetry (CV). Particularly, a-SeNPs presented high toxicity toward the resistant cancer cell line MES-SA/Dx5 and its parental MES-SA line. However, they are not toxic against P4 fibroblast cells in comparative studies. (author)

  3. Antimicrobial activities of CuO films deposited on Cu foils by solution chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Ekthammathat, Nuengruethai [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thongtem, Titipun, E-mail: ttpthongtem@yahoo.com [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thongtem, Somchai, E-mail: schthongtem@yahoo.com [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Materials Science Research Center, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

    2013-07-15

    Monoclinic CuO thin films on Cu foils were successfully synthesized by a simple wet chemical method in alkaline solution with the pH of 13 at room temperature for different lengths of time. The as-synthesized thin films were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and selected area electron diffraction (SAED). Formation mechanism of the phase and morphologies was also discussed according to the experimental results. In this research, assemblies of pure CuO nanospindles with different orientations containing in the thin film synthesized for 2 weeks with 400 nm and 413 nm violet emissions showed better antimicrobial activity against S. aureus than E. coli.

  4. A review of chemistry and biological activities of the genus Aerva--a desert plant.

    Science.gov (United States)

    Chawla, Payal; Chawla, Amit; Vasudeva, Neeru; Sharma, Surendra Kumar

    2012-01-01

    There are approximately 28 species of Aerva genus, but only a few species are medicinal of which A. persica, A. lanata and A. javanica are of great value. A number of flavonol glycosides (e.g., aervanone, kaempferol-3-galactoside, isorhamnetin-3-O-β-D-glucoside) have been reported from Aerva persica as major phytoconstituents and the minor constituents are β-cyanins (glycine betaine and trigonelline), sterols and carbohydrates. This plant is used as medicinal herb in several traditional systems of medicine all over the world, like diuretic, demulcent, purgative, emetic and tinder. Aerva plants are used to cure ulcer, lithiasis, dropsical affections, eye affection, toothache, headache, in disorders of abdomen and inflammation of internal organs. Roots and flowers are reported to possess hypoglycemic, antioxidant, anthelmintic, analgesic, antimalarial, antivenin activities and medicinal properties against rheumatism and kidney troubles.

  5. Antimicrobial activities of CuO films deposited on Cu foils by solution chemistry

    International Nuclear Information System (INIS)

    Ekthammathat, Nuengruethai; Thongtem, Titipun; Thongtem, Somchai

    2013-01-01

    Monoclinic CuO thin films on Cu foils were successfully synthesized by a simple wet chemical method in alkaline solution with the pH of 13 at room temperature for different lengths of time. The as-synthesized thin films were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and selected area electron diffraction (SAED). Formation mechanism of the phase and morphologies was also discussed according to the experimental results. In this research, assemblies of pure CuO nanospindles with different orientations containing in the thin film synthesized for 2 weeks with 400 nm and 413 nm violet emissions showed better antimicrobial activity against S. aureus than E. coli.

  6. Immersion enthalpies of activated carbon cloths as physical chemistry characterization parameter

    International Nuclear Information System (INIS)

    Rodriguez, Giovanny; Giraldo, Liliana; Moreno Juan Carlos

    2009-01-01

    The immersion enthalpies of five activated carbon cloths in carbon, CCl 4 , H 2 O and NaOH and HCl 0.1 M solutions are determined. The surface area values of the cloths are between 243 and 848 m 2 g-1 and exhibit a linear relationship with the immersion enthalpies in CCl 4 . The immersion enthalpies of carbon cloths are between 5.49 and 42.3 Jg-1 for CCl 4 and 3.83 and 7.54 Jg-1 for H 2 O. The immersion enthalpies in the solutions are related to the contents of acidic and basic groups and find that in the first case to increase the immersion enthalpy in NaOH increases the total acidity. Hydrophobic factor is calculated from the immersion enthalpies in CCl 4 and H 2 O, that indicate the interaction with polar and a polar compounds, and also relates to pHPZC each sample.

  7. Current organic chemistry

    National Research Council Canada - National Science Library

    1997-01-01

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

  8. Role of surface chemistry in modified ACF (activated carbon fiber)-catalyzed peroxymonosulfate oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Shiying, E-mail: ysy@ouc.edu.cn [Key Laboratory of Marine Environment and Ecology, Ministry of Education, Qingdao 266100 (China); College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China); Shandong Provincial Key Laboratory of Marine Environment and Geological Engineering (MEGE), Qingdao 266100 (China); Li, Lei [College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China); Xiao, Tuo [College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China); China City Environment Protection Engineering Limited Company, Wuhan 430071 (China); Zheng, Di; Zhang, Yitao [College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China)

    2016-10-15

    Highlights: • ACF can efficiently activate peroxymonosulfate to degrade organic pollutants. • Basic functional groups may mainly increase the adsorption capacity of ACF. • C1, N1, N2 have promoting effect on the ACF catalyzed PMS oxidation. • Modification by heat after nitric acid is also a way of ACF regeneration. - Abstract: A commercial activated carbon fiber (ACF-0) was modified by three different methods: nitration treatment (ACF-N), heat treatment (ACF-H) and heat treatment after nitration (ACF-NH), and the effects of textural and chemical properties on the ability of the metal-free ACF-catalyzed peroxymonosulfate (PMS) oxidation of Reactive Black 5 (RB5), an azo dye being difficultly adsorbed onto ACF, in aqueous solution were investigated in this work. Surface density of functional groups, surface area changes, surface morphology and the chemical state inside ACF samples were characterized by Boehm titration, N{sub 2} adsorption, scanning electron microscopy in couple with energy dispersive spectroscopy (SEM-EDS) and X-ray photoelectron spectroscopy (XPS), respectively. XPS spectra deconvolution was applied to figure out the importance of surface nitrogen-containing function groups. We found that π-π, pyridine and amine have promoting effect on the catalytic oxidation while the −NO{sub 2} has inhibitory effect on the ACF/PMS systems for RB5 destroy. Sustainability and renewability of the typical ACF-NH for catalytic oxidation of RB5 were also discussed in detail. Information about our conclusions are useful to control and improve the performance of ACF-catalyzed PMS oxidation for organic pollutants in wastewater treatment.

  9. Modeling JP-8 Fuel Effects on Diesel Combustion Systems

    National Research Council Canada - National Science Library

    Schihl, Peter; Hoogterp, Laura; Pangilinan, Harold; Schwarz, Ernest; Bryzik, Walter

    2006-01-01

    .... Since engine manufacturers rely solely on DF-2 for commercial vehicle applications most domestic industry, university, and national laboratory lead diesel engine combustion system research activities...

  10. Click Chemistry-Facilitated Structural Diversification of Nitrothiazoles, Nitrofurans, and Nitropyrroles Enhances Antimicrobial Activity against Giardia lamblia.

    Science.gov (United States)

    Kim, Wan Jung; Korthals, Keith A; Li, Suhua; Le, Christine; Kalisiak, Jarosław; Sharpless, K Barry; Fokin, Valery V; Miyamoto, Yukiko; Eckmann, Lars

    2017-06-01

    Giardia lamblia is an important and ubiquitous cause of diarrheal disease. The primary agents in the treatment of giardiasis are nitroheterocyclic drugs, particularly the imidazoles metronidazole and tinidazole and the thiazole nitazoxanide. Although these drugs are generally effective, treatment failures occur in up to 20% of cases, and resistance has been demonstrated in vivo and in vitro Prior work had suggested that side chain modifications of the imidazole core can lead to new effective 5-nitroimidazole drugs that can combat nitro drug resistance, but the full potential of nitroheterocycles other than imidazole to yield effective new antigiardial agents has not been explored. Here, we generated derivatives of two clinically utilized nitroheterocycles, nitrothiazole and nitrofuran, as well as a third heterocycle, nitropyrrole, which is related to nitroimidazole but has not been systematically investigated as an antimicrobial drug scaffold. Click chemistry was employed to synthesize 442 novel nitroheterocyclic compounds with extensive side chain modifications. Screening of this library against representative G. lamblia strains showed a wide spectrum of in vitro activities, with many of the compounds exhibiting superior activity relative to reference drugs and several showing >100-fold increase in potency and the ability to overcome existing forms of metronidazole resistance. The majority of new compounds displayed no cytotoxicity against human cells, and several compounds were orally active against murine giardiasis in vivo These findings provide additional impetus for the systematic development of nitroheterocyclic compounds with nonimidazole cores as alternative and improved agents for the treatment of giardiasis and potentially other infectious agents. Copyright © 2017 American Society for Microbiology.

  11. Combustion Stratification for Naphtha from CI Combustion to PPC

    KAUST Repository

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

    2017-01-01

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

  12. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

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

  13. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

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

  14. Laboratory weathering of combusted oil shale

    International Nuclear Information System (INIS)

    Essington, M.E.

    1991-01-01

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

  15. Plasma assisted combustion of parafin mixture

    International Nuclear Information System (INIS)

    Nedybaliuk, O.A.; Chernyak, V.Ya.; Martysh, E.V.; Lisitchenko, T.E.; Vergun, O.Yu.; Orlovska, S.G.

    2013-01-01

    In this work the results of solid paraffin combustion with the aid of the plasma of transverse and rotational gliding arc studies are represented. The question of the additional activation of paraffin based solid fuels is examined. The mixture of n-paraffin and stearin in the solid state as the model of the solid paraffin based fuel is used. The plasma assisted combustion of this model is experimentally investigated. The voltage-current characteristics of discharge at the different regimes are measured. The population temperatures of excited rotational levels are determined. The flame temperature during the combustion of solid paraffin containing mixture is calculated

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

    NARCIS (Netherlands)

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

    2015-01-01

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

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

    NARCIS (Netherlands)

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

    2015-01-01

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

  18. Chemistry, Antimicrobial Mechanisms, and Antibiotic Activities of Cinnamaldehyde against Pathogenic Bacteria in Animal Feeds and Human Foods.

    Science.gov (United States)

    Friedman, Mendel

    2017-12-06

    Cinnamaldehyde is a major constituent of cinnamon essential oils produced by aromatic cinnamon plants. This compound has been reported to exhibit antimicrobial properties in vitro in laboratory media and in animal feeds and human foods contaminated with disease-causing bacteria including Bacillus cereus, Campylobacter jejuni, Clostridium perfringens, Escherichia coli, Listeria monocytogenes, and Salmonella enterica. This integrated review surveys and interprets our current knowledge of the chemistry, analysis, safety, mechanism of action, and antibiotic activities of cinnamaldehyde in food animal (cattle, lambs, calves, pigs, poultry) diets and in widely consumed liquid (apple, carrot, tomato, and watermelon juices, milk) and solid foods. Solid foods include various fruits (bayberries, blueberries, raspberries, and strawberries), vegetables (carrots, celery, lettuce, spinach, cucumbers, and tomatoes), meats (beef, ham, pork, and frankfurters), poultry (chickens and turkeys), seafood (oysters and shrimp), bread, cheese, eggs, infant formula, and peanut paste. The described findings are not only of fundamental interest but also have practical implications for food safety, nutrition, and animal and human health. The collated information and suggested research needs will hopefully facilitate and guide further studies needed to optimize the use of cinnamaldehyde alone and in combination with other natural antimicrobials and medicinal antibiotics to help prevent and treat food animal and human diseases.

  19. Photography by Cameras Integrated in Smartphones as a Tool for Analytical Chemistry Represented by an Butyrylcholinesterase Activity Assay.

    Science.gov (United States)

    Pohanka, Miroslav

    2015-06-11

    Smartphones are popular devices frequently equipped with sensitive sensors and great computational ability. Despite the widespread availability of smartphones, practical uses in analytical chemistry are limited, though some papers have proposed promising applications. In the present paper, a smartphone is used as a tool for the determination of cholinesterasemia i.e., the determination of a biochemical marker butyrylcholinesterase (BChE). The work should demonstrate suitability of a smartphone-integrated camera for analytical purposes. Paper strips soaked with indoxylacetate were used for the determination of BChE activity, while the standard Ellman's assay was used as a reference measurement. In the smartphone-based assay, BChE converted indoxylacetate to indigo blue and coloration was photographed using the phone's integrated camera. A RGB color model was analyzed and color values for the individual color channels were determined. The assay was verified using plasma samples and samples containing pure BChE, and validated using Ellmans's assay. The smartphone assay was proved to be reliable and applicable for routine diagnoses where BChE serves as a marker (liver function tests; some poisonings, etc.). It can be concluded that the assay is expected to be of practical applicability because of the results' relevance.

  20. Photography by Cameras Integrated in Smartphones as a Tool for Analytical Chemistry Represented by an Butyrylcholinesterase Activity Assay

    Directory of Open Access Journals (Sweden)

    Miroslav Pohanka

    2015-06-01

    Full Text Available Smartphones are popular devices frequently equipped with sensitive sensors and great computational ability. Despite the widespread availability of smartphones, practical uses in analytical chemistry are limited, though some papers have proposed promising applications. In the present paper, a smartphone is used as a tool for the determination of cholinesterasemia i.e., the determination of a biochemical marker butyrylcholinesterase (BChE. The work should demonstrate suitability of a smartphone-integrated camera for analytical purposes. Paper strips soaked with indoxylacetate were used for the determination of BChE activity, while the standard Ellman’s assay was used as a reference measurement. In the smartphone-based assay, BChE converted indoxylacetate to indigo blue and coloration was photographed using the phone’s integrated camera. A RGB color model was analyzed and color values for the individual color channels were determined. The assay was verified using plasma samples and samples containing pure BChE, and validated using Ellmans’s assay. The smartphone assay was proved to be reliable and applicable for routine diagnoses where BChE serves as a marker (liver function tests; some poisonings, etc.. It can be concluded that the assay is expected to be of practical applicability because of the results’ relevance.

  1. Green chemistry focus on optimization of silver nanoparticles using response surface methodology (RSM) and mosquitocidal activity: Anopheles stephensi (Diptera: Culicidae).

    Science.gov (United States)

    Ondari Nyakundi, Erick; Padmanabhan, M Nalini

    2015-01-01

    There is an exigent necessity for development of environmental friendly bio-control agent(s) for elimination of mosquito due to increased resistance resurgence against synthetic control agents. Mosquito control strategy will lay a strong foundation to malaria exclusion or it can be curbed to certain level especially in the developing nations. In this study, silver nanoparticles were synthesized by green chemistry approach using Tridax procumbens leaf extract as a reducing agent. The reaction medium involved in the synthesis process was optimized by statistical experimental design using response surface methodology to obtain better yield, uniform size, shape and stability. Further, these synthesized nanoparticles were confirmed through UV-Visible, FT-IR spectroscopy, PSA and SEM Subsequently, the bioefficacy of these particles were investigated on Anopheles stephensi for larvicidal and pupicidal activity. Interestingly, time period of 90 min, temperature of 76±2 °C, pH 7.2±2, 2 mM silver nitrate (AgNO3), 3mM PEG and 2mM PVP showed excellent parameters for bioprocess design for large scale production of stabilized nanoparticles. A concentration of 5 ppm of PVP stabilized nanoparticles exhibited 100% mortality. Thus, the obtained results clearly suggest that silver nanoparticles stabilized by PEG and PVP may have important function as stabilizers, dispersants as well as larvicides for mosquito control. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Coordination chemistry of oxovanadium(V) complexes with active Schiff bases: synthetic, spectral, and antimicrobial approach

    International Nuclear Information System (INIS)

    Garg, R; Fahmi, N.; Singh, R.V.

    2007-01-01

    The Schiff bases, 3-(indolin-2-one)hydrazinecarbothioamide, 3-(indolin-2-one)hydrazinecarboxamide, 5,6-dimethyl-3-(indolin-2-one)hydrazinecarbothioamide, and 5,6-dimethyl-3-(indolin-2-one)hydrazinecarboxamide, have been synthesized by the condensation of 1H-indol-2,3-dione and 5,6-dimethyl-1H-indol-2,3-dione with the corresponding hydrazinecarbothioamide and hydrazinecarboxamide, respectively. The complexes of oxovanadium and ligands have been characterized by elemental analyses, melting points, conductance measurements, molecular weight determinations, and IR, 1 H NMR and UV spectral studies. These studies showed that the ligands coordinated to the oxovanadium in a monobasic bidentate fashion through oxygen or sulfur and the nitrogen donor system. Thus, penta- and hexa coordinated environment around the vanadium atom has been proposed. All the complexes and their parent organic moieties have been screened for their biological activity on several pathogenic fungi and bacteria and were found to possess appreciable fungicidal and bactericidal properties [ru

  3. Effects of pretreatment on the surface chemistry and pore size properties of nitrogen functionalized and alkylated granular activated carbon

    Energy Technology Data Exchange (ETDEWEB)

    Chen Jiajun [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Key Laboratory of Environmental Biology and Pollution Control (Hunan University), Ministry of Education, Changsha 410082 (China); Zhai Yunbo, E-mail: ybzhai@hnu.edu.cn [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Key Laboratory of Environmental Biology and Pollution Control (Hunan University), Ministry of Education, Changsha 410082 (China); Chen Hongmei; Li Caiting; Zeng Guangming; Pang Daoxiong; Lu Pei [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Key Laboratory of Environmental Biology and Pollution Control (Hunan University), Ministry of Education, Changsha 410082 (China)

    2012-12-15

    Highlights: Black-Right-Pointing-Pointer The effects of pretreatment on the surface chemistry and pore sizes were studied. Black-Right-Pointing-Pointer Treated GAC was nitrogen functionalized and alkylated GAC also called modified GAC. Black-Right-Pointing-Pointer HNO{sub 3} pretreatment caused a slight decrease in surface area and microporosity. Black-Right-Pointing-Pointer The nitrogen percentage of modified GAC which pretreated by H{sub 2}O{sub 2} was 4.07%. Black-Right-Pointing-Pointer The pyridine of modified GAC which pretreated by urea-formaldehyde resin was 45.88%. - Abstract: In this paper, granular activated carbon (GAC) from coconut shell was pretreated by HNO{sub 3}, H{sub 2}O{sub 2} and urea-formaldehyde resin, respectively. Then the obtained materials were functionalized in the same way for nitrogen group, and then alkylated. Effects of pretreatment on the surface chemistry and pore size of modified GACs were studied. Surface area and micropore volume of modified GAC which pretreated by HNO{sub 3} were 723.88 m{sup 2}/g and 0.229 cm{sup 3}/g, respectively, while virgin GAC were 742.34 m{sup 2}/g and 0.276 cm{sup 3}/g. Surface area and micropore volume decrease of the modified GACs which pretreated by the others two methods were more drastically. The types of groups presented were analyzed by electrophoresis, Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS). N-CH{sub 3} group and C=N group were detected on the surfaces of these three kinds of modified GACs. Results of XPS showed that the nitrogen functions of modified GAC which pretreated by H{sub 2}O{sub 2} was 4.07%, it was more than that of the others two pretreatment methods. However, the modified GAC which pretreated by urea-formaldehyde resin was fixed more pyridine structure, which structure percentage was 45.88%, in addition, there were more basic groups or charge on the surface than the others.

  4. Active Control Strategies to Optimize Supersonic Fuel-Air Mixing for Combustion Associated with Fully Modulated Transverse Jet in Cross Flow

    National Research Council Canada - National Science Library

    Ghenai, C; Philippidis, G. P; Lin, C. X

    2005-01-01

    ... (subsonic- supersonic) combustion studies. A high-speed imaging system was used for the visualization of pure liquid jet, aerated liquid jet and pulsed aerated jet injection into a supersonic cross flow at Mach number 1.5...

  5. Acceptable knowledge summary report for combustible/noncombustible, metallic, and HEPA filter waste resulting from 238Pu fabrication activities

    International Nuclear Information System (INIS)

    Rogers, P.S.Z.; Foxx, C.L.

    1998-01-01

    All transuranic (TRU) waste must be sufficiently characterized and certified before it is shipped to the Waste Isolation Pilot Plant (WIPP). The US Environmental Protection Agency (EPA) allows use of acceptable knowledge (AK) for waste characterization. EPA uses the term AK in its guidance document and defines AK and provides guidelines on how acceptable knowledge should be obtained and documented. This AK package has been prepared in accordance with Acceptable Knowledge Documentation (TWCP-QP-1.1-021,R.2). This report covers acceptable knowledge information for five waste streams generated at TA-55 during operations to fabricate various heat sources using feedstock 238 Pu supplied by the Savannah River Site (SRS). The 238 Pu feedstock itself does not contain quantities of RCRA-regulated constituents above regulatory threshold limits, as known from process knowledge at SRS and as confirmed by chemical analysis. No RCRA-regulated chemicals were used during 238 Pu fabrication activities at TA-55, and all 238 Pu activities were physically separated from other plutonium processing activities. Most of the waste generated from the 238 Pu fabrication activities is thus nonmixed waste, including waste streams TA-55-43, 45, and 47. The exceptions are waste streams TA-55-44, which contains discarded lead-lined rubber gloves used in the gloveboxes that contained the 238 Pu material, and TA-55-46, which may contain pieces of discarded lead. These waste streams have been denoted as mixed because of the presence of the lead-containing material

  6. A study of structure–activity relationships of commercial tertiary amines for post-combustion CO_2 capture

    International Nuclear Information System (INIS)

    Xiao, Min; Liu, Helei; Idem, Raphael; Tontiwachwuthikul, Paitoon; Liang, Zhiwu

    2016-01-01

    Highlights: • Ethyl group is beneficial for tertiary amines of CO_2 absorption. • The existence of side carbon chain may promote the activity of tertiary amine. • Hydroxyl group reduces the equilibrium CO_2 solubility, k_2 and pKa. • Heterocyclic structure decrease the equilibrium CO_2 solubility, k_2 and pKa. • Hydroxyl group results in higher CO_2 absorption heat. - Abstract: This work examined the relationship between the structure of various commercial tertiary amines and their activity in CO_2 absorption/desorption in terms of rate of CO_2 absorption, equilibrium CO_2 loading, pKa and heat of CO_2 absorption in order to establish possible guidelines for selection of tertiary amine components for amine blends. Results show that any electron donating group linked directly to the nitrogen atom increases their reactivity with CO_2. In addition, the presence of steric hindrance effect and good water solubility also show enhancements in activity. In contrast, the existence of a hydroxyl group leads to a decrease in all the activity of the tertiary amine. The heat of CO_2 absorption of tertiary amines, which is closely related to the regeneration energy, can be reduced by decreasing the number of hydroxyethyl groups or by positing the hydroxyl group at the proper carbon relative to the nitrogen atom.

  7. Strobes: An oscillatory combustion

    NARCIS (Netherlands)

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

    2012-01-01

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

  8. Catalytically enhanced combustion process

    International Nuclear Information System (INIS)

    Rodriguez, C.

    1992-01-01

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

  9. Fifteenth combustion research conference

    International Nuclear Information System (INIS)

    1993-01-01

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

  10. Bifurcation, pattern formation and chaos in combustion

    International Nuclear Information System (INIS)

    Bayliss, A.; Matkowsky, B.J.

    1991-01-01

    In this paper problems in gaseous combustion and in gasless condensed phase combustion are studied both analytically and numerically. In gaseous combustion we consider the problem of a flame stabilized on a line source of fuel. The authors find both stationary and pulsating axisymmetric solutions as well as stationary and pulsating cellular solutions. The pulsating cellular solutions take the form of either traveling waves or standing waves. Transitions between these patterns occur as parameters related to the curvature of the flame front and the Lewis number are varied. In gasless condensed phase combustion both planar and nonplanar problems are studied. For planar condensed phase combustion we consider two models: accounts for melting and does not. Both models are shown to exhibit a transition from uniformly to pulsating propagating combustion when a parameter related to the activation energy is increased. Upon further increasing this parameter both models undergo a transition to chaos: by intermittency and by a period doubling sequence. In nonplanar condensed phase combustion the nonlinear development of a branch of standing wave solutions is studied and is shown to lead to relaxation oscillations and subsequently to a transition to quasi-periodicity

  11. Combustion characteristics and air pollutant formation during oxy-fuel co-combustion of microalgae and lignite.

    Science.gov (United States)

    Gao, Yuan; Tahmasebi, Arash; Dou, Jinxiao; Yu, Jianglong

    2016-05-01

    Oxy-fuel combustion of solid fuels is seen as one of the key technologies for carbon capture to reduce greenhouse gas emissions. The combustion characteristics of lignite coal, Chlorella vulgaris microalgae, and their blends under O2/N2 and O2/CO2 conditions were studied using a Thermogravimetric Analyzer-Mass Spectroscopy (TG-MS). During co-combustion of blends, three distinct peaks were observed and were attributed to C. vulgaris volatiles combustion, combustion of lignite, and combustion of microalgae char. Activation energy during combustion was calculated using iso-conventional method. Increasing the microalgae content in the blend resulted in an increase in activation energy for the blends combustion. The emissions of S- and N-species during blend fuel combustion were also investigated. The addition of microalgae to lignite during air combustion resulted in lower CO2, CO, and NO2 yields but enhanced NO, COS, and SO2 formation. During oxy-fuel co-combustion, the addition of microalgae to lignite enhanced the formation of gaseous species. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Quantum chemistry

    CERN Document Server

    Lowe, John P

    1993-01-01

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

  13. Fuels and Combustion

    KAUST Repository

    Johansson, Bengt

    2016-08-17

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

  14. Fuels and Combustion

    KAUST Repository

    Johansson, Bengt

    2016-01-01

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

  15. Materials Chemistry

    CERN Document Server

    Fahlman, Bradley D

    2011-01-01

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

  16. Hydrogen and fuel cell activity report - France 2010; Rapport d'activites Hydrogene et Piles a combustible - France 2010

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2010-07-01

    The report gathers the main outstanding facts which occurred in France in the field of hydrogen and fuel cells in 2010. After having noticed some initiatives (the Grenelle II law, an investment package, the new role of the CEA, the new role of the IFP), the report presents several projects and programs regarding hydrogen: ANR programs, creation of a national structure (the HyPaC platform), regional initiatives and local actions, colloquiums and meetings in France and in the world, research projects (photo-synthesis as a new electric energy source), a technical-economic investigation (HyFrance3), demonstrator projects (the Althytude project by GDF and Suez, the Plathee hybrid locomotive by the SNCF, the H2E project, the Zero CO{sub 2} sailing boat, and the Myrte project), educational applications, activity in small and medium-sized enterprises (CETH, SAGIM, HYCAN, McPhy, N-GHY).

  17. Analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jae Seong

    1993-02-15

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

  18. Analytical chemistry

    International Nuclear Information System (INIS)

    Choi, Jae Seong

    1993-02-01

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

  19. Analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

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

    1989-02-15

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

  20. Analytical chemistry

    International Nuclear Information System (INIS)

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

    1989-02-01

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

  1. Green Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Collison, Melanie

    2011-05-15

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

  2. Fuel Combustion Laboratory | Transportation Research | NREL

    Science.gov (United States)

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

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

    KAUST Repository

    Cai, Liming

    2015-01-01

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

  4. A method for determining the completeness of fuel combustion

    Energy Technology Data Exchange (ETDEWEB)

    Tavger, M.D.; Chepkin, V.M.; Gruzdev, V.N.; Talantov, A.V.

    1982-01-01

    The current of conductivity (ionization) of gaseous combustion products, which forms with feeding of electric voltage to a special probe, is proposed for determining the completeness of fuel combustion. Here, the charged particles are formed from substances which form in the intermediate stages of the combustion reaction. The volume of charged particles is proportional to the volume of the intermediate substances, whose presence attests to the incompleteness of the combustion reaction. The fullness of fuel combustion is determined from a formula which includes the stoichiometric coefficient, a gas constant, the energy of activation, the characteristics of the chemical activity of the intermediate substances, the coefficient of air excess, the temperature of the combustion products and the conductivity current.

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

    Directory of Open Access Journals (Sweden)

    Dragos D. Isvoranu

    2003-01-01

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

  6. Shale oil combustion

    International Nuclear Information System (INIS)

    Al-dabbas, M.A.

    1992-05-01

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

  7. Shale oil combustion

    Energy Technology Data Exchange (ETDEWEB)

    Al-dabbas, M A

    1992-05-01

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

  8. Indoor combustion and asthma.

    Science.gov (United States)

    Belanger, Kathleen; Triche, Elizabeth W

    2008-08-01

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

  9. Enhancing Student Performance in First-Semester General Chemistry Using Active Feedback through the World Wide Web

    Science.gov (United States)

    Chambers, Kent A.; Blake, Bob

    2007-01-01

    The World Wide Web recently launched a new interactive feedback system for the instructors, so that can better understanding about their students and their problems. The feedback, in combination with tailored lectures is expected to enhance student performance in the first semester of general chemistry.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-05-05

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

  11. Estimates of the changes in tropospheric chemistry which result from human activity and their dependence on NO(x) emissions and model resolution

    Science.gov (United States)

    Kanakidou, Maria; Crutzen, Paul J.; Zimmermann, Peter H.

    1994-01-01

    As a consequence of the non-linear behavior of the chemistry of the atmosphere and because of the short lifetime of nitrogen oxides (NO(x)), two-dimensional models do not give an adequate description of the production and destruction rates of NO(x) and their effects on the distributions of the concentration of ozone and hydroxyl radical. In this study, we use a three-dimensional model to evaluate the contribution of increasing NO(x) emissions from industrial activity and biomass burning to changes in the chemical composition of the troposphere. By comparing results obtained from longitudinally-uniform and longitudinally-varying emissions of NO(x), we demonstrate that the geographical representation of the NO(x) emissions is crucial in simulating tropospheric chemistry.

  12. General chemistry

    International Nuclear Information System (INIS)

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

    1993-07-01

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

  13. Radiation chemistry

    International Nuclear Information System (INIS)

    Swallow, A.J.

    1983-01-01

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

  14. Low emission turbulent technology for fuel combustion

    International Nuclear Information System (INIS)

    Finker, F. Z.; Kubyshkin, I. B.; Zakharov, B. Yu.; Akhmedov, D. B.; Sobchuk, Ch.

    1997-01-01

    The company 'POLITEKHENERGO' in co-operation and the Russian-Poland firm 'EnergoVIR' have performed investigations for modernization of the current existing boilers. A low emission turbulent technology has been used for the modernization of 10 industrial boilers. The reduction of NO x emissions is based on the following processes: 1) multistage combustion assured by two counter-deviated fluxes; 2) Some of the combustion facilities have an abrupt slope and a reduced air supply which leads to an intense separation of the fuel in the bottom part and a creation of a low-temperature combustion zone where the active restoration of the NO x takes part; 3) The influence of the top high-temperature zone on the NO x formation is small. Thus the 'sandwich' consisting of 'cold' and'hot' combustion layers provides a full rate combustion. This technique permits to: decrease of the NO x and CO x down to the European standard values;increase of the efficiency in 1-2%; obtain a stable coal combustion up to 97-98%; assure the large loading range (30 -100%); modernize and use the old boilers

  15. Active combustion flow modulation valve

    Science.gov (United States)

    Hensel, John Peter; Black, Nathaniel; Thorton, Jimmy Dean; Vipperman, Jeffrey Stuart; Lambeth, David N; Clark, William W

    2013-09-24

    A flow modulation valve has a slidably translating hollow armature with at least one energizable coil wound around and fixably attached to the hollow armature. The energizable coil or coils are influenced by at least one permanent magnet surrounding the hollow armature and supported by an outer casing. Lorentz forces on the energizable coils which are translated to the hollow armature, increase or decrease the flow area to provide flow throttling action. The extent of hollow armature translation depends on the value of current supplied and the direction of translation depends on the direction of current flow. The compact nature of the flow modulation valve combined with the high forces afforded by the actuator design provide a flow modulation valve which is highly responsive to high-rate input control signals.

  16. Future perspectives of radiation chemistry

    International Nuclear Information System (INIS)

    Hatano, Yoshihiko

    2009-01-01

    Future perspectives of radiation chemistry are discussed by the analysis of the related information in detail as obtained from our recent surveys of publications and scientific meetings in radiation chemistry and its neighboring research fields, giving some examples, and are summarized as follows. (1) Traditionally important core-parts of radiation chemistry should be activated more. The corresponding research programs are listed in detail. (2) Research fields of physics, chemistry, biology, medicine, and technology in radiation research should interact more among them with each other. (3) Basic research of radiation chemistry should interact more with its applied research. (4) Interface research fields with radiation chemistry should be produced more with mutually common viewpoints and research interests between the two. Interfaces are not only applied research but also basic one.

  17. HMI scientific report - chemistry 1988

    International Nuclear Information System (INIS)

    1989-01-01

    Results of the R and D activities are reported, dealing with the following subjects: Interface processes and energy conversion, high-energy photochemistry and radiation chemistry as well as trace elements chemistry. A list of publications and lectures is added and gives a view on results obtained in research and development. (EF) [de

  18. Advanced modeling of oxy-fuel combustion of natural gas

    Energy Technology Data Exchange (ETDEWEB)

    Chungen Yin

    2011-01-15

    The main goal of this small-scale project is to investigate oxy-combustion of natural gas (NG) through advanced modeling, in which radiation, chemistry and mixing will be reasonably resolved. 1) A state-of-the-art review was given regarding the latest R and D achievements and status of oxy-fuel technology. The modeling and simulation status and achievements in the field of oxy-fuel combustion were also summarized; 2) A computer code in standard c++, using the exponential wide band model (EWBM) to evaluate the emissivity and absorptivity of any gas mixture at any condition, was developed and validated in detail against data in literature. A new, complete, and accurate WSGGM, applicable to both air-fuel and oxy-fuel combustion modeling and applicable to both gray and non-gray calculation, was successfully derived, by using the validated EWBM code as the reference mode. The new WSGGM was implemented in CFD modeling of two different oxy-fuel furnaces, through which its great, unique advantages over the currently most widely used WSGGM were demonstrated. 3) Chemical equilibrium calculations were performed for oxy-NG flame and air-NG flame, in which dissociation effects were considered to different degrees. Remarkable differences in oxy-fuel and air-fuel combustion were revealed, and main intermediate species that play key roles in oxy-fuel flames were identified. Different combustion mechanisms are compared, e.g., the most widely used 2-step global mechanism, refined 4-step global mechanism, a global mechanism developed for oxy-fuel using detailed chemical kinetic modeling (CHEMKIN) as reference. 4) Over 15 CFD simulations were done for oxy-NG combustion, in which radiation, chemistry, mixing, turbulence-chemistry interactions, and so on were thoroughly investigated. Among all the simulations, RANS combined with 2-step and refined 4-step mechanism, RANS combined with CHEMKIN-based new global mechanism for oxy-fuel modeling, and LES combined with different combustion

  19. LIEKKI 2 - Combustion and gasification research programme 1993- 1998. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hupa, M [ed.

    1999-12-31

    The six-year Combustion and Gasification Research Programme LIEKKI 2 (1993-1998) was oriented towards research serving the development of energy production technologies based on combustion and gasification. The programme was divided into six research areas: 1. Modelling of the furnace processes (39 projects); 2. Chemistry of gaseous emission components (28); 3. Particle behaviour, ash, aerosols (42); 4. New combustion and gasification technologies (27); 5. Black liquor (33) and 6. Conventional combustion technologies, waste incineration (19). The main aim of the research has been to develop new, more efficient and environmentally friendly techniques. The development of conventional combustion technology has also been an important part of the programme. Another important goal has been to maintain and develop maintain the competence of the research organisations in the combustion area and to intensify their collaboration. Concerning its research contents and its objectives LIEKKI 2, like its forerunner, has not been fuel-specific. The programme has investigated the thermal conversion of oil, gas, black liquor, and coal as well as that of peat, biofuels, and various waste materials, and it has further advanced the know-how concerning the utilisation of these fuels. This approach differs from the usual fuel-specific differentiation, which, for instance, IEA (International Energy Agency) and EU have applied in their research activities. This approach seems in retrospect to have been the right choice. It has been appropriate to stimulate co-operation between parties who would not seek co-operation spontaneously. One example of this is the development of a steelmaking process by a Finnish steel manufacturer under the LIEKKI programme. The programme has also provided synergetic advantages to the development of the recovery boiler processes of the pulp industry. Assessing the impact of the programme is a matter of many facets. The six-year research work and a total

  20. LIEKKI 2 - Combustion and gasification research programme 1993- 1998. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hupa, M. [ed.

    1998-12-31

    The six-year Combustion and Gasification Research Programme LIEKKI 2 (1993-1998) was oriented towards research serving the development of energy production technologies based on combustion and gasification. The programme was divided into six research areas: 1. Modelling of the furnace processes (39 projects); 2. Chemistry of gaseous emission components (28); 3. Particle behaviour, ash, aerosols (42); 4. New combustion and gasification technologies (27); 5. Black liquor (33) and 6. Conventional combustion technologies, waste incineration (19). The main aim of the research has been to develop new, more efficient and environmentally friendly techniques. The development of conventional combustion technology has also been an important part of the programme. Another important goal has been to maintain and develop maintain the competence of the research organisations in the combustion area and to intensify their collaboration. Concerning its research contents and its objectives LIEKKI 2, like its forerunner, has not been fuel-specific. The programme has investigated the thermal conversion of oil, gas, black liquor, and coal as well as that of peat, biofuels, and various waste materials, and it has further advanced the know-how concerning the utilisation of these fuels. This approach differs from the usual fuel-specific differentiation, which, for instance, IEA (International Energy Agency) and EU have applied in their research activities. This approach seems in retrospect to have been the right choice. It has been appropriate to stimulate co-operation between parties who would not seek co-operation spontaneously. One example of this is the development of a steelmaking process by a Finnish steel manufacturer under the LIEKKI programme. The programme has also provided synergetic advantages to the development of the recovery boiler processes of the pulp industry. Assessing the impact of the programme is a matter of many facets. The six-year research work and a total

  1. Environmental effects of fossil fuel combustion

    International Nuclear Information System (INIS)

    Chmielewski, A.G.

    1999-01-01

    Fossil fuel which include natural gas, petroleum, shale oil and bitumen are the main source of heat and electrical energy. All these fuels contain beside major constituents (carbon, hydrogen, oxygen) other materials as metal, sulfur and nitrogen compounds. During the combustion process different pollutants as fly ash, sulfur oxides (SO 2 and SO 3 ), nitrogen oxides (NO x NO + NO 2 ) and volatile organic compounds are emitted. Fly ash contain different trace elements (heavy metals). Gross emission of pollutants is tremendous all over the world. These pollutants are present in the atmosphere in such conditions that they can affect man and his environment. Air pollution caused by the particulate matter and other pollutants not only acts directly on environment but by contamination of water and soil leads to their degradation. Wet and dry deposition of inorganic pollutants leads to acidification of environment. These phenomena affect health of the people, increase corrosion, destroy cultivated soil and forests. Most of the plants, especially coniferous trees are not resistant to sulfur and nitrogen oxides. Following longer exposure leaves wither and fall. Widespread forest damage has been reported in Europe and North America regions. Many cultivated plants are not resistant to these pollutants either especially in the early period vegetation. The mechanisms of pollutants transformation in atmosphere are described by environmental chemistry. An important role in these transformations plays photochemistry. SO 2 and NO x are oxidized and sulfuric and nitric acids are formed in presence of water vapours, fog and droplets. Other problem discussed connected with human activities is emission of volatile organic compounds to the atmosphere. These emissions cause stratospheric ozone depletion, ground level photochemical ozone formation, toxic or carcinogenic human health effects, enhancing the global greenhouse effect, accumulation and persistence in environment. Wet flue gas

  2. Environmental effects of fossil fuel combustion

    Energy Technology Data Exchange (ETDEWEB)

    Chmielewski, A G

    1999-07-01

    Fossil fuel which include natural gas, petroleum, shale oil and bitumen are the main source of heat and electrical energy. All these fuels contain beside major constituents (carbon, hydrogen, oxygen) other materials as metal, sulfur and nitrogen compounds. During the combustion process different pollutants as fly ash, sulfur oxides (SO{sub 2} and SO{sub 3}), nitrogen oxides (NO{sub x} NO + NO{sub 2}) and volatile organic compounds are emitted. Fly ash contain different trace elements (heavy metals). Gross emission of pollutants is tremendous all over the world. These pollutants are present in the atmosphere in such conditions that they can affect man and his environment. Air pollution caused by the particulate matter and other pollutants not only acts directly on environment but by contamination of water and soil leads to their degradation. Wet and dry deposition of inorganic pollutants leads to acidification of environment. These phenomena affect health of the people, increase corrosion, destroy cultivated soil and forests. Most of the plants, especially coniferous trees are not resistant to sulfur and nitrogen oxides. Following longer exposure leaves wither and fall. Widespread forest damage has been reported in Europe and North America regions. Many cultivated plants are not resistant to these pollutants either especially in the early period vegetation. The mechanisms of pollutants transformation in atmosphere are described by environmental chemistry. An important role in these transformations plays photochemistry. SO{sub 2} and NO{sub x} are oxidized and sulfuric and nitric acids are formed in presence of water vapours, fog and droplets. Other problem discussed connected with human activities is emission of volatile organic compounds to the atmosphere. These emissions cause stratospheric ozone depletion, ground level photochemical ozone formation, toxic or carcinogenic human health effects, enhancing the global greenhouse effect, accumulation and persistence in

  3. Handbook of heterocyclic chemistry

    National Research Council Canada - National Science Library

    Katritzky, Alan R

    2010-01-01

    ... Heterocyclic Chemistry I (1984) Comprehensive Heterocyclic Chemistry II (1996) Comprehensive Heterocyclic Chemistry III (2008) Comprehensive Organic Functional Group Transformations I (1995) Compreh...

  4. Thermal Behavior of Coal Used in Rotary Kiln and Its Combustion Intensification

    Directory of Open Access Journals (Sweden)

    Qiang Zhong

    2018-04-01

    Full Text Available Pyrolysis and combustion behaviors of three coals (A, B, and C coals were investigated and their combustion kinetics were calculated by the Freeman–Carroll method to obtain quantitative insight into their combustion behaviors. Moreover, the effects of coal size, air flow, oxygen content, and heating rate on coal combustion behaviors were analyzed. Results showed that the three coals have a similar trend of pyrolysis that occurs at about 670 K and this process continuously proceeds along with their combustion. Combustion characteristics and kinetic parameters can be applied to analyze coal combustion behaviors. Three coals having combustion characteristics of suitable ignition temperature (745–761 K, DTGmax (14.20–15.72%/min, and burnout time (7.45–8.10 min were analyzed in a rotary kiln. Combustion kinetic parameters provide quantitative insights into coal combustion behavior. The suitable particle size for coal combustion in a kiln is that the content of less than 74 μm is 60% to 80%. Low activation energy and reaction order make coal, especially C coal, have a simple combustion mechanism, great reactivity, be easily ignited, and a low peak temperature in the combustion state. Oxygen-enrichment and high heating rates enhance coal combustion, increasing combustion intensity and peak value, thus shortening burnout time.

  5. Nuclear analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Brune, D.; Forkman, B.; Persson, B.

    1984-01-01

    This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection.

  6. Nuclear analytical chemistry

    International Nuclear Information System (INIS)

    Brune, D.; Forkman, B.; Persson, B.

    1984-01-01

    This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection

  7. Chemistry Cook-Off

    Science.gov (United States)

    McCormick, Cynthia

    2012-01-01

    For this activity, high school chemistry students compete in a cooking contest. They must determine the chemical and physical changes that occur in the food they prepare, present their recipe as a step-by-step procedure similar to a lab procedure, identify chemicals in the food, and present all measurements in both metric and English units. The…

  8. Supramolecular systems chemistry

    NARCIS (Netherlands)

    Mattia, Elio; Otto, Sijbren

    The field of supramolecular chemistry focuses on the non-covalent interactions between molecules that give rise to molecular recognition and self-assembly processes. Since most non-covalent interactions are relatively weak and form and break without significant activation barriers, many

  9. Reinventing Chemistry

    OpenAIRE

    Whitesides, George McClelland

    2015-01-01

    Chemistry is in a period of change, from an era focused on molecules and reactions, to one in which manipulations of systems of molecules and reactions will be essential parts of controlling larger systems. This Essay traces paths from the past to possible futures.

  10. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1972

    1972-01-01

    Short articles on the kinetics of the hydrogen peroxide-iodide ion reaction, simulation of fluidization catalysis, the use of Newman projection diagrams to represent steric relationships in organic chemistry, the use of synthetic substrates for proteolytic enzyme reactions, and two simple clock reactions"--hydrolysis of halogenoalkanes and…

  11. Combustion of Sewage Sludge as Alternative Fuel for Cement Industry

    Institute of Scientific and Technical Information of China (English)

    LI Fuzhou; ZHANG Wei

    2011-01-01

    The combustion of sewage sludge and coal was studied by thermogravimetric analysis.Both differential scanning calorimetric analysis and derivative thermogravimetric profiles showed differences between combustion of sewage sludge and coal, and non-isothermal kinetics analysis method was applied to evaluate the combustion process. Based on Coats-Redfem integral method, some reaction models were tested,the mechanism and kinetics of the combustion reaction were discussed. The results show that the combustion of sewage sludge is mainly in the Iow temperature stage, meanwhile the ignition temperature and Arrhenius activation energy are lower than that of coal. The combustion of sewage sludge has the advantage over coal in some aspects, thus sewage sludge can partly replace coal used as cement industry fuel.

  12. Flow and Combustion in Advanced Gas Turbine Combustors

    CERN Document Server

    Janicka, Johannes; Schäfer, Michael; Heeger, Christof

    2013-01-01

    With regard to both the environmental sustainability and operating efficiency demands, modern combustion research has to face two main objectives, the optimization of combustion efficiency and the reduction of pollutants. This book reports on the combustion research activities carried out within the Collaborative Research Center (SFB) 568 “Flow and Combustion in Future Gas Turbine Combustion Chambers” funded by the German Research Foundation (DFG). This aimed at designing a completely integrated modeling and numerical simulation of the occurring very complex, coupled and interacting physico-chemical processes, such as turbulent heat and mass transport, single or multi-phase flows phenomena, chemical reactions/combustion and radiation, able to support the development of advanced gas turbine chamber concepts.

  13. Recent experience about the influence of primary coolant and shutdown chemistry on cobalt activity at Beznau NPP

    International Nuclear Information System (INIS)

    Mailand, I.; Venz, H.

    2007-01-01

    The Beznau nuclear power plant comprises two identical 380 MWe PWR units, commissioned in 1969 and 1971. The surfaces of the new steam generator tube material, Inconel 690, are the main source of 58 Co. The 60 Co originates predominantly from the Cobalt alloy, Stellite, which is installed in valves and pump bearings because of the very good hardness of this material. By means of optimised shutdown chemistry it is possible to reduce the amount of NiO on the fuel rods, leading to reduced Co-58 peaks in subsequent cycles. The optimised shutdown chemistry during the past few years and especially the strict separation of acid-reducing phase from the acid-oxidising phase as well as the results of studies and the resulting operational experiences are important basics for the actual operation mode of the Beznau NPP. (orig.)

  14. Comparative sinterability of combustion synthesized and commercial titanium carbides

    International Nuclear Information System (INIS)

    Manley, B.W.

    1984-11-01

    The influence of various parameters on the sinterability of combustion synthesized titanium carbide was investigaged. Titanium carbide powders, prepared by the combustion synthesis process, were sintered in the temperature range 1150 to 1600 0 C. Incomplete combustion and high oxygen contents were found to be the cause of reduced shrinkage during sintering of the combustion syntheized powders when compared to the shrinkage of commercial TiC. Free carbon was shown to inhibit shrinkage. The activation energy for sintering was found to depend on stoichiometry (C/Ti). With decreasing C/Ti, the rate of sintering increased. 29 references, 16 figures, 13 tables

  15. Studying the effectiveness of activated carbon R95 respirators in reducing the inhalation of combustion by-products in Hanoi, Vietnam: a demonstration study

    Directory of Open Access Journals (Sweden)

    Wertheim Heiman FL

    2012-09-01

    Full Text Available Abstract Background Urban air pollution is an increasing health problem, particularly in Asia, where the combustion of fossil fuels has increased rapidly as a result of industrialization and socio-economic development. The adverse health impacts of urban air pollution are well established, but less is known about effective intervention strategies. In this demonstration study we set out to establish methods to assess whether wearing an R95 activated carbon respirator could reduce intake of polycyclic aromatic hydrocarbons (PAH in street workers in Hanoi, Vietnam. Methods In this demonstration study we performed a cross-over study in which non-smoking participants that worked at least 4 hours per day on the street in Hanoi were randomly allocated to specific respirator wearing sequences for a duration of 2 weeks. Urines were collected after each period, i.e. twice per week, at the end of the working day to measure hydroxy PAHs (OH-PAH using gas chromatography/high resolution mass spectrometry. The primary endpoint was the urinary concentration of 1-hydroxypyrene (1-OHP. Results Forty-four participants (54.5% male, median age 40 years were enrolled with the majority being motorbike taxi drivers (38.6% or street vendors (34.1%. The baseline creatinine corrected urinary level for 1-OHP was much higher than other international comparisons: 1020 ng/g creatinine (IQR: 604–1551. Wearing a R95 mask had no significant effect on 1-OHP levels: estimated multiplicative effect 1.0 (95% CI: 0.92-1.09 or other OH-PAHs, except 1-hydroxynaphthalene (1-OHN: 0.86 (95% CI: 0.11-0.96. Conclusions High levels of urine OH-PAHs were found in Hanoi street workers. No effect was seen on urine OH-PAH levels by wearing R95 particulate respirators in an area of high urban air pollution, except for 1-OHN. A lack of effect may be de to gaseous phase PAHs that were not filtered efficiently by the respirator. The high levels of urinary OH-PAHs found, urges for effective

  16. Numerical study of the enhancement of combustion performance in a scramjet combustor due to injection of electric-discharge-activated oxygen molecules

    International Nuclear Information System (INIS)

    Starik, A M; Bezgin, L V; Kopchenov, V I; Loukhovitski, B I; Sharipov, A S; Titova, N S

    2013-01-01

    A comprehensive analysis of the efficiency of an approach based on the injection of a thin oxygen stream, subjected to a tailored electric discharge, into a supersonic H 2 –air flow to enhance the combustion performance in the mixing layer and in the scramjet combustor is conducted. It is shown that for such an approach there exist optimal values of reduced electric field E/N and transversal dimension d of the injected oxygen stream, which provide the minimal length of induction zone in the mixing layer. The optimal values of E/N and d depend on air flow parameters and the specific energy put into the oxygen. The injection of a thin oxygen stream (d = 1 mm) subjected to an electric discharge with E/N = 50–100 Td, which produces mostly singlet oxygen O 2 (a  1 Δ g ) and O 2 (b 1 Σ g + ) molecules and atomic oxygen, allows one to arrange stable combustion in a scramjet duct at an extremely low air temperature T air  = 900 K and pressure P air  = 0.3 bar even at a small specific energy put into the oxygen E s  = 0.2 J ncm −3 , and to provide rather high combustion completeness η = 0.73. The advance in the energy released during combustion is much higher (hundred times), in this case, than the energy supplied to the oxygen stream in the electric discharge. This approach also makes it possible to ensure the rather high combustion completeness in the scramjet combustor with reduced length. The main reason for the combustion enhancement of the H 2 –air mixture in the scramjet duct is the intensification of chain-branching reactions due to the injection of a small amount of cold non-equilibrium oxygen plasma comprising highly reactive species, O 2 (a  1 Δ g ) and O 2 (b 1 Σ g + ) molecules and O atoms, into the H 2 –air supersonic flow. (paper)

  17. Transient flow combustion

    Science.gov (United States)

    Tacina, R. R.

    1984-01-01

    Non-steady combustion problems can result from engine sources such as accelerations, decelerations, nozzle adjustments, augmentor ignition, and air perturbations into and out of the compressor. Also non-steady combustion can be generated internally from combustion instability or self-induced oscillations. A premixed-prevaporized combustor would be particularly sensitive to flow transients because of its susceptability to flashback-autoignition and blowout. An experimental program, the Transient Flow Combustion Study is in progress to study the effects of air and fuel flow transients on a premixed-prevaporized combustor. Preliminary tests performed at an inlet air temperature of 600 K, a reference velocity of 30 m/s, and a pressure of 700 kPa. The airflow was reduced to 1/3 of its original value in a 40 ms ramp before flashback occurred. Ramping the airflow up has shown that blowout is more sensitive than flashback to flow transients. Blowout occurred with a 25 percent increase in airflow (at a constant fuel-air ratio) in a 20 ms ramp. Combustion resonance was found at some conditions and may be important in determining the effects of flow transients.

  18. Combustion and regulation; Combustion et reglementation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

    This conference was organized after the publication of the French by-law no 2010 relative to combustion installations and to the abatement of atmospheric pollution. Five topics were discussed during the conference: the new regulations, their content, innovations and modalities of application; the means of energy suppliers to face the new provisions and their schedule; the manufacturers proposals for existing installations and the new equipments; the administration control; and the impact of the new measures on exploitation and engineering. Twenty papers and 2 journal articles are reported in these proceedings. (J.S.)

  19. A Computational Fluid Dynamics Study of Turbulence, Radiation, and Combustion Models for Natural Gas Combustion Burner

    Directory of Open Access Journals (Sweden)

    Yik Siang Pang

    2018-01-01

    Full Text Available This paper presents a Computational Fluid Dynamics (CFD study of a natural gas combustion burner focusing on the effect of combustion, thermal radiation and turbulence models on the temperature and chemical species concentration fields. The combustion was modelled using the finite rate/eddy dissipation (FR/EDM and partially premixed flame models. Detailed chemistry kinetics CHEMKIN GRI-MECH 3.0 consisting of 325 reactions was employed to model the methane combustion. Discrete ordinates (DO and spherical harmonics (P1 model were employed to predict the thermal radiation. The gas absorption coefficient dependence on the wavelength is resolved by the weighted-sum-of-gray-gases model (WSGGM. Turbulence flow was simulated using Reynolds-averaged Navier-Stokes (RANS based models. The findings showed that a combination of partially premixed flame, P1 and standard k-ε (SKE gave the most accurate prediction with an average deviation of around 7.8% of combustion temperature and 15.5% for reactant composition (methane and oxygen. The results show the multi-step chemistry in the partially premixed model is more accurate than the two-step FR/EDM. Meanwhile, inclusion of thermal radiation has a minor effect on the heat transfer and species concentration. SKE turbulence model yielded better prediction compared to the realizable k-ε (RKE and renormalized k-ε (RNG. The CFD simulation presented in this work may serve as a useful tool to evaluate a performance of a natural gas combustor. Copyright © 2018 BCREC Group. All rights reserved Received: 26th July 2017; Revised: 9th October 2017; Accepted: 30th October 2017; Available online: 22nd January 2018; Published regularly: 2nd April 2018 How to Cite: Pang, Y.S., Law, W.P., Pung, K.Q., Gimbun, J. (2018. A Computational Fluid Dynamics Study of Turbulence, Radiation, and Combustion Models for Natural Gas Combustion Burner. Bulletin of Chemical Reaction Engineering & Catalysis, 13 (1: 155-169 (doi:10.9767/bcrec

  20. Toxic combustion products from pesticide fires. Executive summary

    NARCIS (Netherlands)

    Molag, M.; Bartelds, H.; Weger, D. de

    1992-01-01

    In order to obtain reliable data on the generation of toxic combustion products and to get more insight into the risks of fires in pesticide warehouses TNO performed the research project 'Toxic combustion products from pesticide fires'. The following research activities have been performed during

  1. Combustible structural composites and methods of forming combustible structural composites

    Science.gov (United States)

    Daniels, Michael A.; Heaps, Ronald J.; Steffler, Eric D.; Swank, W. David

    2013-04-02

    Combustible structural composites and methods of forming same are disclosed. In an embodiment, a combustible structural composite includes combustible material comprising a fuel metal and a metal oxide. The fuel metal is present in the combustible material at a weight ratio from 1:9 to 1:1 of the fuel metal to the metal oxide. The fuel metal and the metal oxide are capable of exothermically reacting upon application of energy at or above a threshold value to support self-sustaining combustion of the combustible material within the combustible structural composite. Structural-reinforcing fibers are present in the composite at a weight ratio from 1:20 to 10:1 of the structural-reinforcing fibers to the combustible material. Other embodiments and aspects are disclosed.

  2. Optical Tomography in Combustion

    DEFF Research Database (Denmark)

    Evseev, Vadim

    spectral measurements at several line-of-sights with a view to applications for tomographic measurements on full-scale industrial combustion systems. The system was successfully applied on industrial scale for simultaneous fast exhaust gas temperature measurements in the three optical ports of the exhaust......D project, it was also important to investigate the spectral properties of major combustion species such as carbon dioxide and carbon monoxide in the infrared range at high temperatures to provide the theoretical background for the development of the optical tomography methods. The new software....... JQSRT 113 (2012) 2222, 10.1016/j.jqsrt.2012.07.015] included in the PhD thesis as an attachment. The knowledge and experience gained in the PhD project is the first important step towards introducing the advanced optical tomography methods of combustion diagnostics developed in the project to future...

  3. Internal combustion engine

    Science.gov (United States)

    Baker, Quentin A.; Mecredy, Henry E.; O'Neal, Glenn B.

    1991-01-01

    An improved engine is provided that more efficiently consumes difficult fuels such as coal slurries or powdered coal. The engine includes a precombustion chamber having a portion thereof formed by an ignition plug. The precombustion chamber is arranged so that when the piston is proximate the head, the precombustion chamber is sealed from the main cylinder or the main combustion chamber and when the piston is remote from the head, the precombustion chamber and main combustion chamber are in communication. The time for burning of fuel in the precombustion chamber can be regulated by the distance required to move the piston from the top dead center position to the position wherein the precombustion chamber and main combustion chamber are in communication.

  4. Chemistry and physics

    International Nuclear Information System (INIS)

    Broerse, J.J.; Barendsen, G.W.; Kal, H.B.; Kogel, A.J. van der

    1983-01-01

    This book contains the extended abstracts of the contributions of the poster workshop sessions on chemistry and physics of the 7th international congress of radiation research. They cover the following main topics: primary processes in radiation physics and chemistry, general chemistry in radiation chemistry, DNA and model systems in radiation chemistry, molecules of biological interest in radiation chemistry, techniques in radiation chemistry, hot atom chemistry. refs.; figs.; tabs

  5. Chemistry Impacts in Gasoline HCCI

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-09-01

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

  6. Radioanalytical chemistry. Vol. 2

    International Nuclear Information System (INIS)

    Toelgyessy, J.; Kyrs, M.

    1989-01-01

    This volume of the monograph covers the following topics: activation analysis, non-activation interaction analysis (elastic scattering of charged particles, absorption and backscattering of beta radiation and photons, radionuclide X-ray fluorescence analysis, thermalization, scattering and absorption of neutrons, use of ionization caused by nuclear radiation, use of ionization by alpha or beta radiation for the measurement of pressure, density and flow rate of gases), and automation in radioanalytical chemistry. (P.A.)

  7. Quantum Chemical Study of Supercritical Carbon Dioxide Effects on Combustion Kinetics.

    Science.gov (United States)

    Masunov, Artëm E; Wait, Elizabeth E; Atlanov, Arseniy A; Vasu, Subith S

    2017-05-18

    In oxy-fuel combustion, the pure oxygen (O 2 ), diluted with CO 2 is used as oxidant instead air. Hence, the combustion products (CO 2 and H 2 O) are free from pollution by nitrogen oxides. Moreover, high pressures result in the near-liquid density of CO 2 at supercritical state (sCO 2 ). Unfortunately, the effects of sCO 2 on the combustion kinetics are far from being understood. To assist in this understanding, in this work we are using quantum chemistry methods. Here we investigate potential energy surfaces of important combustion reactions in the presence of the carbon dioxide molecule. All transition states and reactant and product complexes are reported for three reactions: H 2 CO + HO 2 → HCO + H 2 O 2 (R1), 2HO 2 → H 2 O 2 + O 2 (R2), and CO + OH → CO 2 + H (R3). In reaction R3, covalent binding of CO 2 to the OH radical and then the CO molecule opens a new pathway, including hydrogen transfer from oxygen to carbon atoms followed by CH bond dissociation. Compared to the bimolecular OH + CO mechanism, this pathway reduces the activation barrier by 5 kcal/mol and is expected to accelerate the reaction. In the case of hydroperoxyl self-reaction 2HO 2 → H 2 O 2 + O 2 the intermediates, containing covalent bonds to CO 2 are found not to be competitive. However, the spectator CO 2 molecule can stabilize the cyclic transition state and lower the barrier by 3 kcal/mol. Formation of covalent intermediates is also discovered in the H 2 CO + HO 2 → HCO + H 2 O 2 reaction, but these species lead to substantially higher activation barriers, which makes them unlikely to play a role in hydrogen transfer kinetics. The van der Waals complexation with carbon dioxide also stabilizes the transition state and reduces the reaction barrier. These results indicate that the CO 2 environment is likely to have a catalytic effect on combustion reactions, which needs to be included in kinetic combustion mechanisms in supercritical CO 2 .

  8. Amperometric NOx-sensor for Combustion Exhaust Gas Control. Studies on transport properties and catalytic activity of oxygen permeable ceramic membranes

    International Nuclear Information System (INIS)

    Romer, E.W.J.

    2001-01-01

    The aim of the research described in this thesis is the development of a mixed conducting oxide layer, which can be used as an oxygen permselective membrane in an amperometric NOx sensor. The sensor will be used in exhaust gas systems. The exhaust gas-producing engine will run in the lean mix mode. The preparation of this sensor is carried out using screen-printing technology, in which the different layers of the sensor are applied successively. Hereafter, a co-firing step is applied in which all layers are sintered together. This co-firing step imposes several demands on the selection of materials. The design specifications of the sensor further include requirements concerning the operating temperature, measurement range and overall stability. The operating temperature of the sensor varies between 700 and 850C, enabling measurement of NOx concentrations between 50 and 1200 ppm with a measurement accuracy of 10 ppm. Concerning the stability of the sensor, it must withstand the exhaust gas atmosphere containing, amongst others, smoke, acids, abrasive particles and sulphur. Because of the chosen lean-mix engine concept, in which the fuel/air mixture switches continuously between lean (excess oxygen) and fat (excess fuel) mixtures, the sensor must withstand alternately oxidising and reducing atmospheres. Besides, it should be resistant to thermal shock and show no cross-sensitivity of NOx with other exhaust gas constituents like oxygen and hydrocarbons. The response time should be short, typically less than 500 ms. Because of the application in combustion engines of cars, the operational lifetime should be longer than 10 years. Demands on the mixed conducting oxide layer include the following ones. The layer should show minimal catalytic activity towards NOx-reduction. The oxygen permeability must be larger than 6.22 10 -8 mol/cm 2 s at a layer thickness between 3-50 μm. Since the mixed conducting oxide layer is coated on the YSZ electrolyte embodiment, the two

  9. Fine chemistry

    International Nuclear Information System (INIS)

    Laszlo, P.

    1988-01-01

    The 1988 progress report of the Fine Chemistry laboratory (Polytechnic School, France) is presented. The research programs are centered on the renewal of the organic chemistry most important reactions and on the invention of new, highly efficient and highly selective reactions, by applying low cost reagents and solvents. An important research domain concerns the study and fabrication of new catalysts. They are obtained by means of the reactive sputtering of the metals and metal oxydes thin films. The Monte Carlo simulations of the long-range electrostatic interaction in a clay and the obtention of acrylamides from anhydrous or acrylic ester are summarized. Moreover, the results obtained in the field of catalysis are also given. The published papers and the congress communications are included [fr

  10. Fuel and combustion stratification study of Partially Premixed Combustion

    OpenAIRE

    Izadi Najafabadi, M.; Dam, N.; Somers, B.; Johansson, B.

    2016-01-01

    Relatively high levels of stratification is one of the main advantages of Partially Premixed Combustion (PPC) over the Homogeneous Charge Compression Ignition (HCCI) concept. Fuel stratification smoothens heat release and improves controllability of this kind of combustion. However, the lack of a clear definition of “fuel and combustion stratifications” is obvious in literature. Hence, it is difficult to compare stratification levels of different PPC strategies or other combustion concepts. T...

  11. Analytical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The division for Analytical Chemistry continued to try and develope an accurate method for the separation of trace amounts from mixtures which, contain various other elements. Ion exchange chromatography is of special importance in this regard. New separation techniques were tried on certain trace amounts in South African standard rock materials and special ceramics. Methods were also tested for the separation of carrier-free radioisotopes from irradiated cyclotron discs

  12. Modelling porous active layer electrodes of proton exchange membrane fuel cells; Modelisation des couches actives d'electrodes volumiques de piles a combustible a membrane echangeuse de protons

    Energy Technology Data Exchange (ETDEWEB)

    Bultel, Yann

    1997-07-01

    This work focusses on the modeling of mass, charge and heat transfer in the active layers of the volume electrodes of proton exchange membrane fuel cells (PEMFC). A first part describes the structure of fuel cells and the physico-chemical processes taking place at the electrodes. An analysis of the classical models encountered in the literature shows that they all assume that the electro-catalysts is uniformly distributed in a plane or in volume. In a second part, the modeling of mass and charge transport phenomena has been carried out with a numerical calculation software which uses the finite-elements method and which allows to take into consideration the discrete distribution of the catalyst in nano-particulates. The simulations show the limitations of the catalyst use because of the diffusion and ionic ohmic drop both at the electrolyte and particulates scale. In order to improve the modeling of PEMFC fuel cells, the classical models have been modified to consider these local contributions. They require only simple numerical methods, like the finite-differences one. When applied to the oxygen reduction at the cathode or to the hydrogen oxidation at the anode, these models allow to determine the kinetics parameters (exchange current densities and slopes of the Tafel lines) after correction of the active layer diffusion. A modeling of the heat transfers at the active layers scale is proposed. The model takes into account the convective heat transfers between the solid phases and the gas, the electro-osmosis water transfer, and the generation of heat by joule effect and by the electrochemical reactions. Finally, the last chapter presents a study of the reaction mechanisms in the case of porous electrodes using the impedances method. Numerical and analytical models have been developed to calculate the electrode impedances and are applied to the study of oxygen reduction and hydrogen oxidation. (J.S.)

  13. New paradigm for simplified combustion modeling of energetic solids: Branched chain gas reaction

    Energy Technology Data Exchange (ETDEWEB)

    Brewster, M.Q.; Ward, M.J. [Univ. of Illinois, Urbana, IL (United States); Son, S.F. [Los Alamos National Lab., NM (United States)

    1997-09-01

    Two combustion models with simple but rational chemistry are compared: the classical high gas activation energy (E{sub g}/RT {much_gt} 1) Denison-Baum-Williams (DBW) model, and a new low gas activation energy (E{sub g}/RT {much_lt} 1) model recently proposed by Ward, Son, and Brewster (WSB). Both models make the same simplifying assumptions of constant properties, Lewis number unity, single-step, second order gas phase reaction, and single-step, zero order, high activation energy condensed phase decomposition. The only difference is in the gas reaction activation energy E{sub g} which is asymptotically large for DBW and vanishingly small for WSB. For realistic parameters the DBW model predicts a nearly constant temperature sensitivity {sigma}{sub p} and a pressure exponent n approaching 1. The WSB model predicts generally observed values of n = 0.7 to 0.9 and {sigma}{sub p}(T{sub o},P) with the generally observed variations with temperature (increasing) and pressure (decreasing). The WSB temperature profile also matches measured profiles better. Comparisons with experimental data are made using HMX as an illustrative example (for which WSB predictions for {sigma}{sub p}(T{sub o},P) are currently more accurate than even complex chemistry models). WSB has also shown good agreement with NC/NG double base propellant and HNF, suggesting that at the simplest level of combustion modeling, a vanishingly small gas activation energy is more realistic than an asymptotically large one. The authors conclude from this that the important (regression rate determining) gas reaction zone near the surface has more the character of chain branching than thermal decomposition.

  14. Detection of O-propargyl-puromycin with SUMO and ubiquitin by click chemistry at PML-nuclear bodies during abortive proteasome activities

    Energy Technology Data Exchange (ETDEWEB)

    Uozumi, Naoki; Matsumoto, Hotaru [Course for Biological Sciences, Faculty of Science, Kumamoto University, Kumamoto (Japan); Saitoh, Hisato, E-mail: hisa@kumamoto-u.ac.jp [Course for Biological Sciences, Faculty of Science, Kumamoto University, Kumamoto (Japan); Department of Biological Sciences, Graduate School of Science and Technology, Kumamoto University, Kumamoto (Japan)

    2016-05-27

    The amino-nucleoside antibiotic, puromycin, acts by covalently linking to elongating polypeptide chains on ribosomes to generate prematurely terminated immature polypeptides. The trafficking of puromycin-conjugated (puromycylated) immature polypeptides within cell has, however, remained elusive. In this study, using O-propargyl-puromycin (OP-Puro), the distribution of puromycylated polypeptides was assessed in HeLa cells by click chemistry. Under standard culture conditions, OP-Puro signals were detected in the cytoplasm and nucleus with the highest concentrations in the nucleolus. Intriguingly, when proteasome activities were aborted using MG132, OP-Puro signals began to accumulate at promyelocytic leukemia nuclear bodies (PML-NBs) in addition to the nucleolus. We also found promiscuous association of OP-Puro signals with SUMO-2/3 and ubiquitin at PML-NBs, but not at the nucleolus, during abortive proteasome activities. This study reveals a previously unknown distribution of OP-Puro that argues for a nuclear function in regulating immature protein homeostasis. -- Highlights: •Click chemistry detects O-propargyl-puromycin (OP-Puro) signals in the nucleus. •OP-Puro accumulates at PML-NBs during abortive proteasome activities. •SUMO and ubiquitin are promiscuously associated with OP-Puro at PML-NBs. •The nucleus may function in immature protein homeostasis.

  15. Detection of O-propargyl-puromycin with SUMO and ubiquitin by click chemistry at PML-nuclear bodies during abortive proteasome activities

    International Nuclear Information System (INIS)

    Uozumi, Naoki; Matsumoto, Hotaru; Saitoh, Hisato

    2016-01-01

    The amino-nucleoside antibiotic, puromycin, acts by covalently linking to elongating polypeptide chains on ribosomes to generate prematurely terminated immature polypeptides. The trafficking of puromycin-conjugated (puromycylated) immature polypeptides within cell has, however, remained elusive. In this study, using O-propargyl-puromycin (OP-Puro), the distribution of puromycylated polypeptides was assessed in HeLa cells by click chemistry. Under standard culture conditions, OP-Puro signals were detected in the cytoplasm and nucleus with the highest concentrations in the nucleolus. Intriguingly, when proteasome activities were aborted using MG132, OP-Puro signals began to accumulate at promyelocytic leukemia nuclear bodies (PML-NBs) in addition to the nucleolus. We also found promiscuous association of OP-Puro signals with SUMO-2/3 and ubiquitin at PML-NBs, but not at the nucleolus, during abortive proteasome activities. This study reveals a previously unknown distribution of OP-Puro that argues for a nuclear function in regulating immature protein homeostasis. -- Highlights: •Click chemistry detects O-propargyl-puromycin (OP-Puro) signals in the nucleus. •OP-Puro accumulates at PML-NBs during abortive proteasome activities. •SUMO and ubiquitin are promiscuously associated with OP-Puro at PML-NBs. •The nucleus may function in immature protein homeostasis.

  16. Industrial chemistry engineering

    International Nuclear Information System (INIS)

    1993-01-01

    This book on industrial chemistry engineering is divided in two parts. The first part deals with industrial chemistry, inorganic industrial chemistry, organic industrial chemistry, analytical chemistry and practical questions. The last parts explain the chemical industry, a unit parts and thermodynamics in chemical industry and reference. It reveals the test subjects for the industrial chemistry engineering with a written examination and practical skill.

  17. Computational chemistry

    Science.gov (United States)

    Arnold, J. O.

    1987-01-01

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

  18. Green chemistry

    International Nuclear Information System (INIS)

    Warner, John C.; Cannon, Amy S.; Dye, Kevin M.

    2004-01-01

    A grand challenge facing government, industry, and academia in the relationship of our technological society to the environment is reinventing the use of materials. To address this challenge, collaboration from an interdisciplinary group of stakeholders will be necessary. Traditionally, the approach to risk management of materials and chemicals has been through inerventions intended to reduce exposure to materials that are hazardous to health and the environment. In 1990, the Pollution Prevention Act encouraged a new tact-elimination of hazards at the source. An emerging approach to this grand challenge seeks to embed the diverse set of environmental perspectives and interests in the everyday practice of the people most responsible for using and creating new materials--chemists. The approach, which has come to be known as Green Chemistry, intends to eliminate intrinsic hazard itself, rather than focusing on reducing risk by minimizing exposure. This chapter addresses the representation of downstream environmental stakeholder interests in the upstream everyday practice that is reinventing chemistry and its material inputs, products, and waste as described in the '12 Principles of Green Chemistry'

  19. Aerosols from biomass combustion

    Energy Technology Data Exchange (ETDEWEB)

    Nussbaumer, T

    2001-07-01

    This report is the proceedings of a seminar on biomass combustion and aerosol production organised jointly by the International Energy Agency's (IEA) Task 32 on bio energy and the Swiss Federal Office of Energy (SFOE). This collection of 16 papers discusses the production of aerosols and fine particles by the burning of biomass and their effects. Expert knowledge on the environmental impact of aerosols, formation mechanisms, measurement technologies, methods of analysis and measures to be taken to reduce such emissions is presented. The seminar, visited by 50 participants from 11 countries, shows, according to the authors, that the reduction of aerosol emissions resulting from biomass combustion will remain a challenge for the future.

  20. High Gravity (g) Combustion

    Science.gov (United States)

    2006-02-01

    UNICORN (Unsteady Ignition and Combustion with Reactions) code10. Flame propagation in a tube that is 50-mm wide and 1000-mm long (similar to that...turbine engine manufacturers, estimating the primary zone space heating rate. Both combustion systems, from Company A and Company B, required a much...MBTU/atm-hr-ft3) Te m pe ra tu re R is e (K ) dP/P = 2% dP/P = 2.5% dP/P = 3% dP/P = 3.5% dP/P = 4% Company A Company B Figure 13: Heat Release Rate