WorldWideScience

Sample records for soot reaction processes

  1. Effect of Coatings on the Uptake Rate and HONO Yield in Heterogeneous Reaction of Soot with NO2

    Science.gov (United States)

    Cruz-Quiñones, M.; Khalizov, A. F.; Zhang, R.

    2009-12-01

    Heterogeneous reaction of nitrogen dioxide on carbon soot aerosols has been suggested as a possible source of nighttime nitrous acid (HONO) in atmosphere boundary layer. Available laboratory data show significant variability in the measured reaction probabilities and HONO yields, making it difficult to asses the atmospheric significance of this process. Moreover, little is known of how aging of soot aerosol through internal mixing with other atmospheric trace constituents will affect the heterogeneous reactivity and HONO production. In this work, the heterogeneous reaction of NO2 on fresh and aged soot films leading to HONO formation was studied through a series of kinetic uptake experiments and HONO yield measurements. Soot samples were prepared by incomplete combustion of propane and kerosene fuels under lean and rich flame conditions. Experiments were performed in a low-pressure, fast-flow reactor coupled to a chemical ionization mass spectrometer (CIMS), using atmospheric-level NO2 concentrations. Heterogeneous uptake coefficients, γ(geom) and γ(BET), were calculated using geometric and internal BET soot surface areas, respectively. The uptake coefficient and the HONO yield depend on the type of fuel and combustion regime and are the highest for soot samples prepared using rich kerosene flame. Although, the internal surface area of soot measured by BET method is a factor of 50 to 500 larger than the geometric surface area, only the top soot layers are involved in heterogeneous reaction with NO2 as follows from the observed weak dependence of γ(geom) and decrease in γ(BET) with increasing sample mass. Heating the soot samples before exposure to NO2 increases the BET surface area, the HONO yield, and the NO2 uptake coefficient due to the removal of the organic fraction from the soot backbone that unblocks active sites and makes them accessible for physical adsorption and chemical reactions. Our results support the oxidation-reduction mechanism involving

  2. Effects of Fuel Quantity on Soot Formation Process for Biomass-Based Renewable Diesel Fuel Combustion

    KAUST Repository

    Jing, Wei; Wu, Zengyang; Roberts, William L.; Fang, Tiegang

    2016-01-01

    Soot formation process was investigated for biomass-based renewable diesel fuel, such as biomass to liquid (BTL), and conventional diesel combustion under varied fuel quantities injected into a constant volume combustion chamber. Soot measurement

  3. Heterogeneous reaction of SO2 with soot: The roles of relative humidity and surface composition of soot in surface sulfate formation

    Science.gov (United States)

    Zhao, Yan; Liu, Yongchun; Ma, Jinzhu; Ma, Qingxin; He, Hong

    2017-03-01

    The conversion of SO2 to sulfates on the surface of soot is still poorly understood. Soot samples with different fractions of unsaturated hydrocarbons and oxygen-containing groups were prepared by combusting n-hexane under well-controlled conditions. The heterogeneous reaction of SO2 with soot was investigated using in situ attenuated total internal reflection infrared (ATR-IR) spectroscopy, ion chromatography (IC) and a flow tube reactor at the ambient pressure and relative humidity (RH). Water promoted SO2 adsorption and sulfate formation at the RH range from 6% to 70%, while exceeded water condensed on soot was unfavorable for sulfate formation due to inhibition of SO2 adsorption when RH was higher than 80%. The surface composition of soot, which was governed by combustion conditions, also played an important role in the heterogeneous reaction of SO2 with soot. This effect was found to greatly depend on RH. At low RH of 6%, soot with the highest fuel/oxygen ratio of 0.162 exhibited a maximum uptake capacity for SO2 because it contained a large amount of aromatic Csbnd H groups, which acted as active sites for SO2 adsorption. At RH of 54%, soot produced with a fuel/oxygen ratio of 0.134 showed the highest reactivity toward SO2 because it contained appropriate amounts of aromatic Csbnd H groups and oxygen-containing groups, subsequently leading to the optimal surface concentrations of both SO2 and water. These results suggest that variation in the surface composition of soot from different sources and/or resulting from chemical aging in the atmosphere likely affects the conversion of SO2 to sulfates.

  4. Effects of Fuel Quantity on Soot Formation Process for Biomass-Based Renewable Diesel Fuel Combustion

    KAUST Repository

    Jing, Wei

    2016-12-01

    Soot formation process was investigated for biomass-based renewable diesel fuel, such as biomass to liquid (BTL), and conventional diesel combustion under varied fuel quantities injected into a constant volume combustion chamber. Soot measurement was implemented by two-color pyrometry under quiescent type diesel engine conditions (1000 K and 21% O2 concentration). Different fuel quantities, which correspond to different injection widths from 0.5 ms to 2 ms under constant injection pressure (1000 bar), were used to simulate different loads in engines. For a given fuel, soot temperature and KL factor show a different trend at initial stage for different fuel quantities, where a higher soot temperature can be found in a small fuel quantity case but a higher KL factor is observed in a large fuel quantity case generally. Another difference occurs at the end of combustion due to the termination of fuel injection. Additionally, BTL flame has a lower soot temperature, especially under a larger fuel quantity (2 ms injection width). Meanwhile, average soot level is lower for BTL flame, especially under a lower fuel quantity (0.5 ms injection width). BTL shows an overall low sooting behavior with low soot temperature compared to diesel, however, trade-off between soot level and soot temperature needs to be carefully selected when different loads are used.

  5. Reaction mechanism for the free-edge oxidation of soot by O 2

    KAUST Repository

    Raj, Abhijeet; da Silva, Gabriel; Chung, Suk-Ho

    2012-01-01

    The reaction pathways for the oxidation by O 2 of polycyclic aromatic hydrocarbons present in soot particles are investigated using density functional theory at B3LYP/6-311++G(d,p) level of theory. For this, pyrene radical (4-pyrenyl) is chosen as the model molecule, as most soot models present in the literature employ the reactions involving the conversion of 4-pyrenyl to 4-phenanthryl by O 2 and OH to account for soot oxidation. Several routes for the formation of CO and CO 2 are proposed. The addition of O 2 on a radical site to form a peroxyl radical is found to be barrierless and exothermic with reaction energy of 188kJ/mol. For the oxidation reaction to proceed further, three pathways are suggested, each of which involve the activation energies of 104, 167 and 115kJ/mol relative to the peroxyl radical. The effect of the presence of H atom on a carbon atom neighboring the radical site on the energetics of carbon oxidation is assessed. Those intermediate species formed during oxidation with seven-membered rings or with a phenolic group are found to be highly stable. The rate constants evaluated using transition state theory in the temperature range of 300-3000K for the reactions involved in the mechanism are provided. © 2012 The Combustion Institute.

  6. Reaction mechanism for the free-edge oxidation of soot by O 2

    KAUST Repository

    Raj, Abhijeet

    2012-11-01

    The reaction pathways for the oxidation by O 2 of polycyclic aromatic hydrocarbons present in soot particles are investigated using density functional theory at B3LYP/6-311++G(d,p) level of theory. For this, pyrene radical (4-pyrenyl) is chosen as the model molecule, as most soot models present in the literature employ the reactions involving the conversion of 4-pyrenyl to 4-phenanthryl by O 2 and OH to account for soot oxidation. Several routes for the formation of CO and CO 2 are proposed. The addition of O 2 on a radical site to form a peroxyl radical is found to be barrierless and exothermic with reaction energy of 188kJ/mol. For the oxidation reaction to proceed further, three pathways are suggested, each of which involve the activation energies of 104, 167 and 115kJ/mol relative to the peroxyl radical. The effect of the presence of H atom on a carbon atom neighboring the radical site on the energetics of carbon oxidation is assessed. Those intermediate species formed during oxidation with seven-membered rings or with a phenolic group are found to be highly stable. The rate constants evaluated using transition state theory in the temperature range of 300-3000K for the reactions involved in the mechanism are provided. © 2012 The Combustion Institute.

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

    Science.gov (United States)

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

    2018-04-25

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

  8. Dynamics of flow–soot interaction in wrinkled non-premixed ethylene–air flames

    KAUST Repository

    Arias, Paul G.

    2015-08-17

    A two-dimensional simulation of a non-premixed ethylene–air flame was conducted by employing a detailed gas-phase reaction mechanism considering polycyclic aromatic hydrocarbons, an aerosol-dynamics-based soot model using a method of moments with interpolative closure, and a grey gas and soot radiation model using the discrete transfer method. Interaction of the sooting flame with a prescribed decaying random velocity field was investigated, with a primary interest in the effects of velocity fluctuations on the flame structure and the associated soot formation process for a fuel-strip configuration and a composition with mature soot growth. The temporally evolving simulation revealed a multi-layered soot formation process within the flame, at a level of detail not properly described by previous studies based on simplified soot models utilizing acetylene or naphthalene precursors for initial soot inception. The overall effect of the flame topology on the soot formation was found to be consistent with previous experimental studies, while a unique behaviour of localised strong oxidation was also noted. The imposed velocity fluctuations led to an increase of the scalar dissipation rate in the sooting zone, causing a net suppression in the soot production rate. Considering the complex structure of the soot formation layer, the effects of the imposed fluctuations vary depending on the individual soot reactions. For the conditions under study, the soot oxidation reaction was identified as the most sensitive to the fluctuations and was mainly responsible for the local suppression of the net soot production. © 2015 Taylor & Francis

  9. Morphological transformation of soot: investigation of microphysical processes during the condensation of sulphuric acid and limonene ozonolysis products vapours

    Science.gov (United States)

    Pathak, R. K. P.; Pei, X.; Hallquist, M.; Pagels, J. H.

    2017-12-01

    Morphological transformation of soot particle by condensation of low volatility materials on it is a dominant atmospheric process with serious implications for its optical and hygroscopic properties, and atmospheric lifetime. In this study, the morphological transformation of soot agglomerate under the influence of condensation of vapours of sulphuric acid, and/or limonene ozonolysis products were investigated systematically using a Differential Mobility Analyser-Aerosol Particle Mass Analyser (DMA-APM) and the Tandem DMA techniques integrated with a laminar flow-tube system. We discovered that the morphology transformation of soot in general was a sequence of two-step process, i.e. (i) filling of void space within soot agglomerate; (ii) growth of particle diameter. These two steps followed and complimented each other. In the very beginning the filling was the dominant process followed by growth until it led to the accumulation of enough material that in turn exerted surface forces that eventually facilitated the further filling. The filling of void space was constrained by the initial morphology of fresh soot and the nature and amount of the material condensed. This process continued in several sequential steps until all void space within the soot agglomerate was filled completely and then growth of a spherical particle continued as long as mass was condensed on it. In this study, we developed a framework to quantify the microphysical transformation of soot upon the condensation of various materials. The framework utilized experimental data and hypothesis of ideal sphere growth and filling of voids to quantify the distribution of condensed materials in these two processes complimenting each other. Using this framework, we have quantified the percentage of material that went into processes of particle growth and void filling at each step. Using the same framework, we further estimated the fraction of internal voids and open voids and used this information to derive

  10. A NIST Kinetic Data Base for PAH Reaction and Soot Particle Inception During Combusion

    Science.gov (United States)

    2007-12-01

    official policy or position of the Department of Defense. Reference herein to any specific commercial product, process, or service by trade name...becomes richer. We have thus intergrated 51 unimolecular decomposition and 5 isomerization reactions and 24 species processes into a heptane

  11. Aromatics Oxidation and Soot Formation in Flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J. B.; Richter, H.

    2005-03-29

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and the growth process to polycyclic aromatic hydrocarbons (PAH) of increasing size, soot and fullerenes formation in flames. The overall objective of the experimental aromatics oxidation work is to extend the set of available data by measuring concentration profiles for decomposition intermediates such as phenyl, cyclopentadienyl, phenoxy or indenyl radicals which could not be measured with molecular-beam mass spectrometry to permit further refinement and testing of benzene oxidation mechanisms. The focus includes PAH radicals which are thought to play a major role in the soot formation process while their concentrations are in many cases too low to permit measurement with conventional mass spectrometry. The radical species measurements are used in critical testing and improvement of a kinetic model describing benzene oxidation and PAH growth. Thermodynamic property data of selected species are determined computationally, for instance using density functional theory (DFT). Potential energy surfaces are explored in order to identify additional reaction pathways. The ultimate goal is to understand the conversion of high molecular weight compounds to nascent soot particles, to assess the roles of planar and curved PAH and relationships between soot and fullerenes formation. The specific aims are to characterize both the high molecular weight compounds involved in the nucleation of soot particles and the structure of soot including internal nanoscale features indicative of contributions of planar and/or curved PAH to particle inception.

  12. Flame experiments at the advanced light source: new insights into soot formation processes.

    Science.gov (United States)

    Hansen, Nils; Skeen, Scott A; Michelsen, Hope A; Wilson, Kevin R; Kohse-Höinghaus, Katharina

    2014-05-26

    The following experimental protocols and the accompanying video are concerned with the flame experiments that are performed at the Chemical Dynamics Beamline of the Advanced Light Source (ALS) of the Lawrence Berkeley National Laboratory(1-4). This video demonstrates how the complex chemical structures of laboratory-based model flames are analyzed using flame-sampling mass spectrometry with tunable synchrotron-generated vacuum-ultraviolet (VUV) radiation. This experimental approach combines isomer-resolving capabilities with high sensitivity and a large dynamic range(5,6). The first part of the video describes experiments involving burner-stabilized, reduced-pressure (20-80 mbar) laminar premixed flames. A small hydrocarbon fuel was used for the selected flame to demonstrate the general experimental approach. It is shown how species' profiles are acquired as a function of distance from the burner surface and how the tunability of the VUV photon energy is used advantageously to identify many combustion intermediates based on their ionization energies. For example, this technique has been used to study gas-phase aspects of the soot-formation processes, and the video shows how the resonance-stabilized radicals, such as C3H3, C3H5, and i-C4H5, are identified as important intermediates(7). The work has been focused on soot formation processes, and, from the chemical point of view, this process is very intriguing because chemical structures containing millions of carbon atoms are assembled from a fuel molecule possessing only a few carbon atoms in just milliseconds. The second part of the video highlights a new experiment, in which an opposed-flow diffusion flame and synchrotron-based aerosol mass spectrometry are used to study the chemical composition of the combustion-generated soot particles(4). The experimental results indicate that the widely accepted H-abstraction-C2H2-addition (HACA) mechanism is not the sole molecular growth process responsible for the formation

  13. Role of Fluid-Dynamics in Soot Formation and Microstructure in Acetylene-Air Laminar Diffusion Flames

    Directory of Open Access Journals (Sweden)

    Praveen Pandey

    2015-03-01

    Full Text Available Residence time and thermo-chemical environment are important factors in the soot-formation process in flames. Studies have revealed that flow-dynamics plays a dominant role in soot formation process. For understanding the effect of flow dynamics on soot formation and physical structure of the soot formed in different combustion environments two types of laminar diffusion flames of Acetylene and air, a normal diffusion flame (NDF and an inverse diffusion flame (IDF have been investigated. The fuel and air supply in the reaction zone in two flame types were kept constant but the interchange of relative position of fuel and air altered the burner exit Reynolds and Froude numbers of gases, fuel/air velocity ratio and flame shape. Soot samples were collected using thermophoretic sampling on transmission electron microscope (TEM grids at different flame heights and were analyzed off-line in a Transmission Electron Microscope. Soot primary particle size, soot aggregate size and soot volume fraction were measured using an image analysis software. In NDF the maximum flame temperature was about 1525 K and 1230 K for IDF. The soot primary particles are distinctly smaller in size in IDF (between 19 – 26 nm compared to NDF (between 29–34 nm. Both NDF and IDF show chainlike branched structure of soot agglomerate with soot particles of a nearly spherical shape. The average number of soot primary particles per aggregate in NDF was in the range of 24 to 40 and in IDF it varied between 16 to 24. Soot volume fraction was between 0.6 to 1.5 ppm in NDF where as it was less than 0.2 ppm in IDF. The change in sooting characteristics of the two flame types is attributed to changed fuel/air velocity ratio, entrainment of gas molecules and thermophoresis on soot particles.

  14. Numerical investigation of soot formation and oxidation processes under large two-stroke marine diesel engine-like conditions using integrated CFD-chemical kinetics

    DEFF Research Database (Denmark)

    Pang, Kar Mun; Karvounis, Nikolas; Walther, Jens Honore

    2016-01-01

    n-heptane mechanism and a revised multi-step soot model using laser extinction measurements of diesel soot obtained at different ambient pressure levels in an optical accessible, constant volume chamber experiment. It is revealed that ignition delay times and liftoff lengths generated using the new......In this reported work, multi-dimensional computational fluid dynamics studies of diesel combustion and soot formation processes in a constant volume combustion chamber and a marine diesel engine are carried out. The key interest here is firstly to validate the coupling of a newly developed skeletal...... using the revised soot model agrees reasonably well with the measurements in terms of peak values. The numerical model is subsequently applied to investigate the flame development, soot/nitrogen monoxide formation and heat transfer in a two-stroke, low-speed uniflow-scavenged marine diesel engine...

  15. Simulation of soot size distribution in an ethylene counterflow flame

    KAUST Repository

    Zhou, Kun; Abdelgadir, Ahmed Gamaleldin; Bisetti, Fabrizio

    2014-01-01

    Soot, an aggregate of carbonaceous particles produced during the rich combustion of fossil fuels, is an undesirable pollutant and health hazard. Soot evolution involves various dynamic processes: nucleation soot formation from polycyclic aromatic

  16. Computational Investigation of Soot and Radiation in Turbulent Reacting Flows

    Science.gov (United States)

    Lalit, Harshad

    over prediction effect of the DD model. It is shown that the effect of species Lewis number on soot evolution is a secondary phenomenon and that soot is primarily transported by advection of the fluid in a turbulent flame. The effect of hydrogen dilution on the soot formation and transport process is also studied. It is noted that the decay of soot volume fraction and flame length with hydrogen addition follows trends observed in laminar sooting flame measurements. While hydrogen enhances mixing shown by the laminar flamelet solutions, the mixing effect does not significantly contribute to differential molecular diffusion effects in the soot nucleation regions downstream of the flame and has a negligible effect on soot transport. The sensitivity of computations of soot volume fraction towards the chemical reaction mechanism is shown. It is concluded that modeling reaction pathways of C3 and C4 species that lead up to Polycyclic Aromatic Hydrocarbon (PAH) molecule formation is paramount for accurate predictions of soot in the flame. (Abstract shortened by ProQuest.).

  17. On the formation and early evolution of soot in turbulent nonpremixed flames

    KAUST Repository

    Bisetti, Fabrizio

    2012-01-01

    A Direct Numerical Simulation (DNS) of soot formation in an n-heptane/air turbulent nonpremixed flame has been performed to investigate unsteady strain effects on soot growth and transport. For the first time in a DNS of turbulent combustion, Polycyclic Aromatic Hydrocarbons (PAH) are included via a validated, reduced chemical mechanism. A novel statistical representation of soot aggregates based on the Hybrid Method of Moments is used [M.E. Mueller, G. Blanquart, H. Pitsch, Combust. Flame 156 (2009) 1143-1155], which allows for an accurate state-of-the-art description of soot number density, volume fraction, and morphology of the aggregates. In agreement with previous experimental studies in laminar flames, Damköhler number effects are found to be significant for PAH. Soot nucleation and growth from PAH are locally inhibited by high scalar dissipation rate, thus providing a possible explanation for the experimentally observed reduction of soot yields at increasing levels of mixing in turbulent sooting flames. Furthermore, our data indicate that soot growth models that rely on smaller hydrocarbon species such as acetylene as a proxy for large PAH molecules ignore or misrepresent the effects of turbulent mixing and hydrodynamic strain on soot formation due to differences in the species Damköhler number. Upon formation on the rich side of the flame, soot is displaced relative to curved mixture fraction iso-surfaces due to differential diffusion effects between soot and the gas-phase. Soot traveling towards the flame is oxidized, and aggregates displaced away from the flame grow primarily by condensation of PAH on the particle surface. In contrast to previous DNS studies based on simplified soot and chemistry models, surface reactions are found to contribute barely to the growth of soot, for nucleation and condensation processes occurring in the fuel stream are responsible for the most of soot mass generation. Furthermore, the morphology of the soot aggregates is

  18. Experimental study of the interaction of HO2 radicals with soot surface.

    Science.gov (United States)

    Bedjanian, Yuri; Lelièvre, Stéphane; Le Bras, Georges

    2005-01-21

    The reaction of HO2 with toluene and kerosene flame soot was studied over the temperature range 240-350 K and at P = 0.5-5 Torr of helium using a discharge flow reactor coupled to a modulated molecular beam mass spectrometer. A flat-flame burner was used for the preparation and deposition of soot samples from premixed flames of liquid fuels under well controlled and adjustable combustion conditions. The independent of temperature in the range 240-350 K value of gamma = (7.5 +/- 1.5) x 10(-2) (calculated with geometric surface area) was found for the uptake coefficient of HO2 on kerosene and toluene soot. No significant deactivation of soot surface during its reaction with HO2 was observed. Experiments on soot ageing under ambient conditions showed that the reactivity of aged soot is similar to that of freshly prepared soot samples. The results show that the HO2 + soot reaction could be a significant loss process for HOx in the urban atmosphere with a potential impact on photochemical ozone formation. In contrast this process will be negligible in the upper troposphere even in flight corridors.

  19. Simulation of soot size distribution in an ethylene counterflow flame

    KAUST Repository

    Zhou, Kun

    2014-01-06

    Soot, an aggregate of carbonaceous particles produced during the rich combustion of fossil fuels, is an undesirable pollutant and health hazard. Soot evolution involves various dynamic processes: nucleation soot formation from polycyclic aromatic hydrocarbons (PAHs) condensation PAHs condensing on soot particle surface surface processes hydrogen-abstraction-C2H2-addition, oxidation coagulation two soot particles coagulating to form a bigger particle This simulation work investigates soot size distribution and morphology in an ethylene counterflow flame, using i). Chemkin with a method of moments to deal with the coupling between vapor consumption and soot formation; ii). Monte Carlo simulation of soot dynamics.

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

    International Nuclear Information System (INIS)

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

    1991-01-01

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

  1. Oxidation kinetics and soot formation

    Science.gov (United States)

    Glassman, I.; Brezinsky, K.

    1983-01-01

    The research objective is to clarify the role of aromaticity in the soot nucleation process by determining the relative importance of phenyl radical/molecular oxygen and benzene/atomic oxygen reactions in the complex combustion of aromatic compounds. Three sets of chemical flow reactor experiments have been designed to determine the relative importance of the phenyl radical/molecular oxygen and benzene/atomic oxygen reactions. The essential elements of these experiments are 1) the use of cresols and anisole formed during the high temperature oxidation of toluene as chemical reaction indicators; 2) the in situ photolysis of molecular oxygen to provide an oxygen atom perturbation in the reacting aromatic system; and 3) the high temperature pyrolysis of phenol, the cresols and possibly anisole.

  2. A computational study of ethylene–air sooting flames: Effects of large polycyclic aromatic hydrocarbons

    KAUST Repository

    Selvaraj, Prabhu

    2015-11-05

    An updated reduced gas-phase kinetic mechanism was developed and integrated with aerosol models to predict soot formation characteristics in ethylene nonpremixed and premixed flames. A primary objective is to investigate the sensitivity of the soot formation to various chemical pathways for large polycyclic aromatic hydrocarbons (PAH). The gas-phase chemical mechanism adopted the KAUST-Aramco PAH Mech 1.0, which utilized the AramcoMech 1.3 for gas-phase reactions validated for up to C2 fuels. In addition, PAH species up to coronene (C24H12 or A7) were included to describe the detailed formation pathways of soot precursors. In this study, the detailed chemical mechanism was reduced from 397 to 99 species using directed relation graph with expert knowledge (DRG-X) and sensitivity analysis. The method of moments with interpolative closure (MOMIC) was employed for the soot aerosol model. Counterflow nonpremixed flames at low strain rate sooting conditions were considered, for which the sensitivity of soot formation characteristics to different nucleation pathways were investigated. Premixed flame experiment data at different equivalence ratios were also used for validation. The findings show that higher PAH concentrations result in a higher soot nucleation rate, and that the total soot volume and average size of the particles are predicted in good agreement with experimental results. Subsequently, the effects of different pathways, with respect to pyrene- or coronene-based nucleation models, on the net soot formation rate were analyzed. It was found that the nucleation processes (i.e., soot inception) are sensitive to the choice of PAH precursors, and consideration of higher PAH species beyond pyrene is critical for accurate prediction of the overall soot formation.

  3. Numerical simulation of combustion and soot under partially premixed combustion of low-octane gasoline

    KAUST Repository

    An, Yanzhao

    2017-09-23

    In-cylinder combustion visualization and engine-out soot particle emissions were investigated in an optical diesel engine fueled with low octane gasoline. Single injection strategy with an early injection timing (−30 CAD aTDC) was employed to achieve partially premixed combustion (PPC) condition. A high-speed color camera was used to record the combustion images for 150 cycles. The regulated emission of carbon dioxide, carbon monoxide, nitrogen oxides and soot mass concentration were measured experimentally. Full cycle engine simulations were performed using CONVERGE™ and the simulation results matched with the experimental results. The in-cylinder soot particle evolution was performed by coupling a reduced toluene reference fuel mechanism including the PAHs formation/oxidation reactions with particulate size mimic model. The results showed that PPC presents typical stratified combustion characteristics, which is significantly different from the conventional diesel spray-driven combustion. The in-cylinder temperature and equivalence ratio overlaid with soot-NO formation regime revealed that PPC operating condition under study mostly avoided the main sooting conditions throughout the entire combustion. The evaluation of temperature distribution showed formaldehyde could be regarded as an indicator for low temperature reactions, while hydroxyl group represents the high temperature reactions. Soot evolution happened during the combustion process, hydroxyl radicals promoted the soot oxidation.

  4. Numerical simulation of combustion and soot under partially premixed combustion of low-octane gasoline

    KAUST Repository

    An, Yanzhao; Jaasim, Mohammed; Vallinayagam, R.; Vedharaj, S.; Im, Hong G.; Johansson, Bengt.

    2017-01-01

    In-cylinder combustion visualization and engine-out soot particle emissions were investigated in an optical diesel engine fueled with low octane gasoline. Single injection strategy with an early injection timing (−30 CAD aTDC) was employed to achieve partially premixed combustion (PPC) condition. A high-speed color camera was used to record the combustion images for 150 cycles. The regulated emission of carbon dioxide, carbon monoxide, nitrogen oxides and soot mass concentration were measured experimentally. Full cycle engine simulations were performed using CONVERGE™ and the simulation results matched with the experimental results. The in-cylinder soot particle evolution was performed by coupling a reduced toluene reference fuel mechanism including the PAHs formation/oxidation reactions with particulate size mimic model. The results showed that PPC presents typical stratified combustion characteristics, which is significantly different from the conventional diesel spray-driven combustion. The in-cylinder temperature and equivalence ratio overlaid with soot-NO formation regime revealed that PPC operating condition under study mostly avoided the main sooting conditions throughout the entire combustion. The evaluation of temperature distribution showed formaldehyde could be regarded as an indicator for low temperature reactions, while hydroxyl group represents the high temperature reactions. Soot evolution happened during the combustion process, hydroxyl radicals promoted the soot oxidation.

  5. Stochastic Simulation of Soot Formation Evolution in Counterflow Diffusion Flames

    Directory of Open Access Journals (Sweden)

    Xiao Jiang

    2018-01-01

    Full Text Available Soot generally refers to carbonaceous particles formed during incomplete combustion of hydrocarbon fuels. A typical simulation of soot formation and evolution contains two parts: gas chemical kinetics, which models the chemical reaction from hydrocarbon fuels to soot precursors, that is, polycyclic aromatic hydrocarbons or PAHs, and soot dynamics, which models the soot formation from PAHs and evolution due to gas-soot and soot-soot interactions. In this study, two detailed gas kinetic mechanisms (ABF and KM2 have been compared during the simulation (using the solver Chemkin II of ethylene combustion in counterflow diffusion flames. Subsequently, the operator splitting Monte Carlo method is used to simulate the soot dynamics. Both the simulated data from the two mechanisms for gas and soot particles are compared with experimental data available in the literature. It is found that both mechanisms predict similar profiles for the gas temperature and velocity, agreeing well with measurements. However, KM2 mechanism provides much closer prediction compared to measurements for soot gas precursors. Furthermore, KM2 also shows much better predictions for soot number density and volume fraction than ABF. The effect of nozzle exit velocity on soot dynamics has also been investigated. Higher nozzle exit velocity renders shorter residence time for soot particles, which reduces the soot number density and volume fraction accordingly.

  6. Multistep processes in nuclear reactions

    International Nuclear Information System (INIS)

    Hodgson, P.E.

    1988-01-01

    The theories of nuclear reactions are reviewed with particular attention to the recent work on multistep processes. The evidence for compound nucleus and direct interaction reactions is described together with the results of comparisons between theories and experimental data. These theories have now proved inadequate, and there is evidence for multistep processes that take place after the initial direct stage but long before the attainment of the statistical equilibrium characteristic of compound nucleus processes. The theories of these reactions are described and it is shown how they can account for the experimental data and thus give a comprehensive understanding of nuclear reactions. (author)

  7. Dielectric properties of PMMA/Soot nanocomposites.

    Science.gov (United States)

    Clayton, Lanetra M; Cinke, Martin; Meyyappan, M; Harmon, Julie P

    2007-07-01

    Dielectric analysis (DEA) of relaxation behavior in poly(methyl methacrylate) (PMMA) soot nanocomposites is described herein. The soot, an inexpensive material, consists of carbon nanotubes, amorphous and graphitic carbon and metal particles. Results are compared to earlier studies on PMMA/multi-walled nanotube (MWNT) composites and PMMA/single-walled nanotube (SWNT) composites. The beta relaxation process appeared to be unaffected by the presence of the soot, as was noted earlier in nanotube composites. The gamma relaxation region in PMMA, normally dielectrically inactive, was "awakened" in the PMMA/soot composite. This occurrence is consistent with previously published data on nanotube composites. The dielectric permittivity, s', increased with soot content. The sample with 1% soot exhibited a permittivity (at 100 Hz and 25 degrees C) of 7.3 as compared to 5.1 for neat PMMA. Soot increased the dielectric strength, deltaE, of the composites. The 1% soot sample exhibited a dielectric strength of 6.38, while the neat PMMA had a value of 2.95 at 40 degrees C. The symmetric broadening term (alpha) was slightly higher for the 1% composite at temperatures near the secondary relaxation and near the primary relaxation, but all samples deviated from symmetrical semi-circular behavior (alpha = 1). The impact of the soot filler is seen more clearly in dielectric properties than in mechanical properties studies conducted earlier.

  8. Numerical investigation on soot particles emission in compression ignition diesel engine by using particulate mimic soot model

    Directory of Open Access Journals (Sweden)

    Ibrahim Fadzli

    2017-01-01

    Full Text Available Research via computational method, specifically by detailed-kinetic soot model offers much more advantages than the simple model as more detailed formation/oxidation process is taken into consideration, thus providing better soot mass concentration, soot size, soot number density as well as information regarding other related species. In the present computational study, investigation of in-cylinder soot concentration as well as other emissions in a single cylinder diesel engine has been conducted, using a commercial multidimensional CFD software, CONVERGE CFD. The simulation was carried out for a close-cycle combustion environment from inlet valve closing (IVC to exhaust valve opening (EVO. In this case, detailed-kinetic Particulate Mimic (PM soot model was implemented as to take benefit of the method of moment, instead of commonly implemented simple soot model. Analyses of the results are successfully plotted to demonstrate that the soot size and soot mass concentration are strongly dependent on the detailed soot formation and oxidation process rates. The calculated of soot mass concentration and average soot size at EVO provide the end value of 29.2 mg/m3 and 2.04 × 10−8 m, respectively. Besides, post-processing using EnSight shows the qualitative results of soot concentration along simulation period in the combustion chamber.

  9. Simulation of temporal and spatial soot evolution in an automotive diesel engine using the Moss–Brookes soot model

    International Nuclear Information System (INIS)

    Pang, Kar Mun; Ng, Hoon Kiat; Gan, Suyin

    2012-01-01

    Highlights: ► Numerical models were validated against experimental data of two diesel engines. ► Soot model constant values were calibrated to predict in-cylinder soot processes. ► Effects of split-main injection parameters on soot distributions were determined. ► Soot cloud was distributed towards cylinder wall when using large dwell period. ► Greater soot deposition expected with large dwell period and retarded injection. - Abstract: In this reported work, computational study on the formation processes of soot particles from diesel combustion is conducted using an approach where Computational Fluid Dynamics (CFD) is coupled with a chemical kinetic model. A multi-step soot model which accounts for inception, surface growth, coagulation and oxidation was applied. Model constant values in the Moss–Brookes soot formation and Fenimore–Jones soot oxidation models were calibrated, and were validated against in-cylinder soot evolution and exhaust soot density of both heavy- and light-duty diesel engines, respectively. Effects of various injection parameters such as start of injection (SOI) timing, split-main ratio and dwell period of the split-main injection strategy on in-cylinder temporal/spatial soot evolution in a light-duty diesel engine were subsequently investigated. The spatial soot distributions at each crank angle degree after start of injection were found to be insensitive to the change of values in SOI and split-main ratio when close-coupled injection was implemented. Soot cloud was also observed to be distributed towards the cylinder wall when a large separation of 20° was used, even with an advanced SOI timing of −6° after top dead centre (ATDC). The use of large separation is hence not desired for this combustion system as it potentially leads to soot deposition on surface oil film and greater tailpipe soot emissions.

  10. Measurement of Soot Volume Fraction and Temperature for Oxygen-Enriched Ethylene Combustion Based on Flame Image Processing

    Directory of Open Access Journals (Sweden)

    Weijie Yan

    2017-05-01

    Full Text Available A method for simultaneously visualizing the two-dimensional distributions of temperature and soot volume fraction in an ethylene flame was presented. A single-color charge-coupled device (CCD camera was used to capture the flame image in the visible spectrum considering the broad-response spectrum of the R and G bands of the camera. The directional emissive power of the R and G bands were calibrated and used for measurement. Slightly increased temperatures and reduced soot concentration were predicted in the central flame without self-absorption effects considered, an iterative algorithm was used for eliminating the effect of self-absorption. Nine different cases were presented in the experiment to demonstrate the effects of fuel mass flow rate and oxygen concentration on temperature and soot concentration in three different atmospheres. For ethylene combustion in pure-air atmosphere, as the fuel mass flow rate increased, the maximum temperature slightly decreased, and the maximum soot volume fraction slightly increased. For oxygen fractions of 30%, 40%, and 50% combustion in O2/N2 oxygen-enhanced atmospheres, the maximum flame temperatures were 2276, 2451, and 2678 K, whereas combustion in O2/CO2 atmospheres were 1916, 2322, and 2535 K. The maximum soot volume fractions were 4.5, 7.0, and 9.5 ppm in oxygen-enriched O2/N2 atmosphere and 13.6, 15.3, and 14.8 ppm in oxygen-enriched O2/CO2 atmosphere. Compared with the O2/CO2 atmosphere, combustion in the oxygen-enriched O2/N2 atmosphere produced higher flame temperature and larger soot volume fraction. Preliminary results indicated that this technique is reliable and can be used for combustion diagnosis.

  11. Fragmentation processes in nuclear reactions

    International Nuclear Information System (INIS)

    Legrain, R.

    1984-08-01

    Projectile and nuclear fragmentation are defined and processes referred to are recalled. The two different aspects of fragmentation are considered but the emphasis is also put on heavy ion induced reactions. The preliminary results of an experiment performed at GANIL to study peripheral heavy ions induced reactions at intermediate energy are presented. The results of this experiment will illustrate the characteristics of projectile fragmentation and this will also give the opportunity to study projectile fragmentation in the transition region. Then nuclear fragmentation is considered which is associated with more central collisions in the case of heavy ion induced reactions. This aspect of fragmentation is also ilustrated with two heavy ion experiments in which fragments emitted at large angle have been observed

  12. Smog chamber study on aging of combustion soot in isoprene/SO2/NOx system: Changes of mass, size, effective density, morphology and mixing state

    Science.gov (United States)

    Li, Kangwei; Chen, Linghong; Han, Ke; Lv, Biao; Bao, Kaiji; Wu, Xuecheng; Gao, Xiang; Cen, Kefa

    2017-02-01

    Atmospheric soot aging process is always accompanied by secondary particle formation, which is a comprehensive environmental issue that deserves great attention. On one hand, aging of primary soot could change its own physicochemical properties; on the other hand, complex air pollution caused by pollutant emission from various sources (e.g., vehicle exhausts, coal-fired flue gases and biogenic VOCs emission) may contribute to secondary particle formation onto primary particle surface. In this study, aging of combustion soot in isoprene/SO2/NOx system was investigated under controlled laboratory conditions in several smog chamber experiments. During the evolution of soot, several physical properties such as mass, size, effective density, morphology and mixing state were determined simultaneously by an integrated aerosol analytical system of Scanning Mobility Particle Sizer (SMPS), Differential Mobility Analyzer-Aerosol Particle Mass Analyzer-Condensation Particle Counter (DMA-APM-CPC) and Transmission Electron Microscopy coupled with Energy-dispersive X-ray Spectrometry (TEM/EDX) techniques. Here, based on the experimental results of soot aging under different gas-phase composition and relative humidity (RH), we firstly proposed possible aging pathways of soot in isoprene/SO2/NOx system. A synergetic effect was speculated to exist between SO2 and isoprene on soot aging process, which led to more secondary particle formation. At the same time, TEM/EDX analysis showed that a competitive mechanism between H2SO4(g) and isoprene oxidation vapor may exist: H2SO4(g) firstly condensed onto fresh soot, then an acceleration of isoprene oxidation products formed onto H2SO4 pre-coated soot. In isoprene/SO2/NOx system, high RH conditions could contribute to soot aging and new particle formation. The changes of effective density and dynamic shape factor of soot also indicated that high RH conditions could accelerate soot aging process, and led chain-like soot into more spherical

  13. Soot modeling of counterflow diffusion flames of ethylene-based binary mixture fuels

    KAUST Repository

    Wang, Yu; Raj, Abhijeet Dhayal; Chung, Suk-Ho

    2015-01-01

    of ethylene and its binary mixtures with methane, ethane and propane based on the method of moments. The soot model has 36 soot nucleation reactions from 8 PAH molecules including pyrene and larger PAHs. Soot surface growth reactions were based on a modified

  14. Soot oxidation over NOx storage catalysts. Activity and deactivation

    International Nuclear Information System (INIS)

    Krishna, K.; Makkee, M.

    2006-01-01

    Soot oxidation activity and deactivation of NO x storage and reduction (NSR) catalysts containing Pt, K, and Ba supported on Al 2 O 3 , are studied under a variety of reaction conditions. K-containing catalysts decrease soot oxidation temperature with O 2 alone and the presence of Pt further enhance the activity due to synergetic effect. The active species responsible for synergism on Pt/K-Al 2 O 3 are unstable and cannot be regenerated. Soot oxidation temperature decreases by about 150 o C with NO+O 2 exhaust feed gas and under lean conditions NSR system acts as catalysed soot filter (CSF). The reactions that are mainly responsible for decreasing soot oxidation temperature are: (1) soot oxidation with NO 2 followed by NO recycles to NO 2 , and (2) soot oxidation with O 2 assisted by NO 2 . Only a part of the stored NO x that is decomposed at high temperatures under lean conditions is found to be useful for soot oxidation. NO x storage capacity of NSR catalysts decreases upon ageing under soot oxidising conditions. This will lead to a decreased soot oxidation activity on stored nitrate decomposition. Pt/K-Al 2 O 3 catalyst is more active, but least stable compared with Pt/Ba-Al 2 O 3 . (author)

  15. Reaction rates for neutrino processes

    International Nuclear Information System (INIS)

    Shalitin, D.

    1978-01-01

    Some integrals involved in neutrino processes are evaluated by transformation to a special system of reference - usually to the center of mass system (CM). Rather simple analytic expressions are obtained for reaction rates and, though less simple, for moments. An interesting result thus obtained is for an isotropic interaction (in CM) of a neutrino with a monoenergetic isotropic gas of extreme relativistic electrons: it is found that the probability of the scattered neutrino to have energy in a certain range is independent of this energy. (Auth.)

  16. Fragmentation processes in nuclear reactions

    International Nuclear Information System (INIS)

    Baur, G.; Roesel, F.; Trautmann, D.; Shyam, R.

    1983-10-01

    Fragmentation processes in nuclear collisions are reviewed. The main emphasis is put on light ion breakup at nonrelativistic energies. The post- and prior-form DWBA theories are discussed. The post-form DWBA, appropriate for the ''spectator breakup'' describes elastic as well as inelastic breakup modes. This theory can also account for the stripping to unbound states. The theoretical models are compared to typical experimental results to illustrate the various possible mechanisms. It is discussed, how breakup reactions can be used to study high-lying single particle strength in the continuum; how it can yield information about momentum distributions of fragments in the nucleus. (orig.)

  17. Emissions of soot particles from heat generators

    Science.gov (United States)

    Lyubov, V. K.; Popov, A. N.; Popova, E. I.

    2017-11-01

    «Soot carbon» or «Soot» - incomplete combustion or thermal decomposition particulate carbon product of hydrocarbons consisting of particles of various shapes and sizes. Soot particles are harmful substances Class 2 and like a dust dispersed by wind for thousands of kilometers. Soot have more powerful negative factor than carbon dioxide. Therefore, more strict requirements on ecological and economical performance for energy facilities at Arctic areas have to be developed to protect fragile Arctic ecosystems and global climate change from degradation and destruction. Quantity of soot particles in the flue gases of energy facilities is a criterion of effectiveness for organization of the burning process. Some of heat generators do not provide the required energy and environmental efficiency which results in irrational use of energy resources and acute pollution of environment. The paper summarizes the results of experimental study of solid particles emission from wide range of capacity boilers burning different organic fuels (natural gas, fuel oil, coal and biofuels). Special attention is paid to environmental and energy performance of the biofuels combustion. Emissions of soot particles PM2.5 are listed. Structure, composition and dimensions of entrained particles with the use of electronic scanning microscope Zeiss SIGMA VP were also studied. The results reveal an impact of several factors on soot particles emission.

  18. Steady State Investigations of DPF Soot Burn Rates and DPF Modeling

    DEFF Research Database (Denmark)

    Cordtz, Rasmus Lage; Ivarsson, Anders; Schramm, Jesper

    2011-01-01

    and soot mass concentrations are used as model boundary conditions. An in-house developed raw exhaust gas sampling technique is used to measure the soot concentration upstream the DPF which is also needed to find the DPF soot burn rate. The soot concentration is measured basically by filtering the soot...... characteristics are used to fit model constants of soot and filter properties. Measured DPF gas conversions and soot burn rates are used to fit model activation energies of four DPF regeneration reactions using O2 and NO2 as reactants. Modeled DPF pressure drops and soot burn rates are compared to the steady...... state DPF experiments in the temperature range between 260 and 480 °C. The model widely reproduces the experimental results. Especially the exponential soot burn rate versus temperature is accurately reproduced by the model....

  19. Estimating soot emissions from an elevated flare

    Science.gov (United States)

    Almanza, Victor; Sosa, Gustavo

    2009-11-01

    Combustion aerosols are one of the major concerns in flaring operations, due to both health and environmental hazards. Preliminary results are presented for a 2D transient simulation of soot formation in a reacting jet with exit velocity of 130 m/s under a 5 m/s crossflow released from a 50 m high elevated flare and a 50 cm nozzle. Combustion dynamics was simulated with OpenFOAM. Gas-phase non-premixed combustion was modeled with the Chalmers PaSR approach and a κ-ɛ turbulence model. For soot formation, Moss model was used and the ISAT algorithm for solving the chemistry. Sulfur chemistry was considered to account for the sourness of the fuel. Gas composition is 10 % H2S and 90 % C2H4. A simplified Glassman reaction mechanism was used for this purpose. Results show that soot levels are sensitive to the sulfur present in the fuel, since it was observed a slight decrease in the soot volume fraction. NSC is the current oxidation model for soot formation. Predicted temperature is high (about 2390 K), perhaps due to soot-radiation interaction is not considered yet, but a radiation model implementation is on progress, as well as an oxidation mechanism that accounts for OH radical. Flame length is about 50 m.

  20. Ice Nucleation of Soot Particles in the Cirrus Regime: Is Pore Condensation and Freezing Relevant for Soot?

    Science.gov (United States)

    Kanji, Z. A.; Mahrt, F.; David, R.; Marcolli, C.; Lohmann, U.; Fahrni, J.; Brühwiler, D.

    2017-12-01

    Heterogeneous ice nucleation (HIN) onto soot particles from previous studies have produced inconsistent results of temperature and relative humidity conditions required for freezing depending on the source of soot particle investigated. The ability of soot to act as HIN depended on the type of soot and size of particle. Often homogenous freezing conditions or water saturation conditions were required to freeze soot particles, rendering HIN irrelevant. Using synthesised mesoporous silica particles, we show pore condensation and freezing works with experiments performed in the Zurich Ice Nucleation Chamber (ZINC). By testing a variety of soot particles in parallel in the Horizontal Ice Nucleation Chamber (HINC), we suggest that previously observed HIN on soot particles is not the responsible mechanism for ice formation. Laboratory generated CAST brown and black soot, commercially available soot and acid treated soot were investigated for their ice nucleation abilities in the mixed-phase and cirrus cloud temperature regimes. No heterogeneous ice nucleation activity is inferred at T > -38 °C (mixed-phase cloud regime), however depending on particle size and soot type, HIN was observed for T nucleation of ice in the pores or cavities that are ubiquitous in soot particles between the primary spherules. The ability of some particles to freeze at lower relative humidity compared to others demonstrates why hydrophobicity plays a role in ice nucleation, i.e. controlling the conditions at which these cavities fill with water. Thus for more hydrophobic particles pore filling occurs at higher relative humidity, and therefore freezing of pore water and ice crystal growth. Future work focusses on testing the cloud processing ability of soot particles and water adsorption isotherms of the different soot samples to support the hydrophobicity inferences from the ice nucleation results.

  1. Ignition delay and soot oxidative reactivity of MTBE blended diesel fuel

    KAUST Repository

    Yang, Seung Yeon; Naser, Nimal; Chung, Suk-Ho; Al-Qurashi, Khalid

    2014-01-01

    Methyl tert-butyl ether (MTBE) was added to diesel fuel to investigate the effect on ignition delay and soot oxidative reactivity. An ignition quality tester (IQT) was used to study the ignition propensity of MTBE blended diesel fuels in a reactive spray environment. The IQT data showed that ignition delay increases linearly as the MTBE fraction increases in the fuel. A four-stroke single cylinder diesel engine was used to generate soot samples for a soot oxidation study. Soot samples were pre-treated using a tube furnace in a nitrogen environment to remove any soluble organic fractions and moisture content. Non-isothermal oxidation of soot samples was conducted using a thermogravimetric analyzer (TGA). It was observed that oxidation of 'MTBE soot' started began at a lower temperature and had higher reaction rate than 'diesel soot' across a range of temperatures. Several kinetic analyses including an isoconversional method and a combined model fitting method were carried out to evaluate kinetic parameters. The results showed that Diesel and MTBE soot samples had similar activation energy but the pre-exponential factor of MTBE soot was much higher than that of the Diesel soot. This may explain why MTBE soot was more reactive than Diesel soot. It is suggested that adding MTBE to diesel fuel is better for DPF regeneration since an MTBE blend can significantly influence the ignition characteristics and, consequently, the oxidative reactivity of soot. Copyright © 2014 SAE International.

  2. Ignition delay and soot oxidative reactivity of MTBE blended diesel fuel

    KAUST Repository

    Yang, Seung Yeon

    2014-04-01

    Methyl tert-butyl ether (MTBE) was added to diesel fuel to investigate the effect on ignition delay and soot oxidative reactivity. An ignition quality tester (IQT) was used to study the ignition propensity of MTBE blended diesel fuels in a reactive spray environment. The IQT data showed that ignition delay increases linearly as the MTBE fraction increases in the fuel. A four-stroke single cylinder diesel engine was used to generate soot samples for a soot oxidation study. Soot samples were pre-treated using a tube furnace in a nitrogen environment to remove any soluble organic fractions and moisture content. Non-isothermal oxidation of soot samples was conducted using a thermogravimetric analyzer (TGA). It was observed that oxidation of \\'MTBE soot\\' started began at a lower temperature and had higher reaction rate than \\'diesel soot\\' across a range of temperatures. Several kinetic analyses including an isoconversional method and a combined model fitting method were carried out to evaluate kinetic parameters. The results showed that Diesel and MTBE soot samples had similar activation energy but the pre-exponential factor of MTBE soot was much higher than that of the Diesel soot. This may explain why MTBE soot was more reactive than Diesel soot. It is suggested that adding MTBE to diesel fuel is better for DPF regeneration since an MTBE blend can significantly influence the ignition characteristics and, consequently, the oxidative reactivity of soot. Copyright © 2014 SAE International.

  3. Soot Formation in Freely-Propagating Laminar Premixed Flames

    Science.gov (United States)

    Lin, K.-C.; Hassan, M. I.; Faeth, G. M.

    1997-01-01

    Soot formation within hydrocarbon-fueled flames is an important unresolved problem of combustion science. Thus, the present study is considering soot formation in freely-propagating laminar premixed flames, exploiting the microgravity environment to simplify measurements at the high-pressure conditions of interest for many practical applications. The findings of the investigation are relevant to reducing emissions of soot and continuum radiation from combustion processes, to improving terrestrial and spacecraft fire safety, and to developing methods of computational combustion, among others. Laminar premixed flames are attractive for studying soot formation because they are simple one-dimensional flows that are computationally tractable for detailed numerical simulations. Nevertheless, studying soot-containing burner-stabilized laminar premixed flames is problematical: spatial resolution and residence times are limited at the pressures of interest for practical applications, flame structure is sensitive to minor burner construction details so that experimental reproducibility is not very good, consistent burner behavior over the lengthy test programs needed to measure soot formation properties is hard to achieve, and burners have poor durability. Fortunately, many of these problems are mitigated for soot-containing, freely-propagating laminar premixed flames. The present investigation seeks to extend work in this laboratory for various soot processes in flames by observing soot formation in freely-propagating laminar premixed flames. Measurements are being made at both Normal Gravity (NG) and MicroGravity (MG), using a short-drop free-fall facility to provide MG conditions.

  4. Simultaneous measurement of the concentrations of soot particles and gas species in light hydrocarbon flames using mass spectrometry

    International Nuclear Information System (INIS)

    Li, Qingxun; Liu, Fang; Wang, Dezheng; Wang, Tiefeng

    2014-01-01

    Besides gas species concentrations, soot volume fractions are also important data in the study of flames. This work describes the simultaneous measurement of the concentrations of soot and gas species in light hydrocarbon flames by in situ sampling and mass spectrometry (MS).The reaction medium was frozen by sampling into a very low-pressure tube, and the soot selectivity (proportion of carbon atoms in the reactant converted to soot) was determined from the C and H mass balances using the measured concentrations of the gas species and the mass of soot present per unit gas volume. The H/C ratio of the soot was measured by a thermogravimetry–mass spectrometry combination. The soot volume fraction was calculated from the soot selectivity and density of the soot. The soot selectivity measured by this reduced pressure sampling mass spectrometry (RPSMS) method was verified by measurements using the gravimetric sampling technique where the mass of soot collected in a volume of gas was weighed by a high precision balance. For most of the measurements, the uncertainty in the soot volume fraction was ±5%, but this would be larger when the soot volume fractions are less than 1 ppm. For demonstration, the RPSMS method was used to study a methane fuel-rich flame where the soot volume fractions were 1–5 ppm. The simultaneous measurement of concentrations of soot and gas species is useful for the quantitative study of flames. (paper)

  5. Large eddy simulation of soot evolution in an aircraft combustor

    Science.gov (United States)

    Mueller, Michael E.; Pitsch, Heinz

    2013-11-01

    An integrated kinetics-based Large Eddy Simulation (LES) approach for soot evolution in turbulent reacting flows is applied to the simulation of a Pratt & Whitney aircraft gas turbine combustor, and the results are analyzed to provide insights into the complex interactions of the hydrodynamics, mixing, chemistry, and soot. The integrated approach includes detailed models for soot, combustion, and the unresolved interactions between soot, chemistry, and turbulence. The soot model is based on the Hybrid Method of Moments and detailed descriptions of soot aggregates and the various physical and chemical processes governing their evolution. The detailed kinetics of jet fuel oxidation and soot precursor formation is described with the Radiation Flamelet/Progress Variable model, which has been modified to account for the removal of soot precursors from the gas-phase. The unclosed filtered quantities in the soot and combustion models, such as source terms, are closed with a novel presumed subfilter PDF approach that accounts for the high subfilter spatial intermittency of soot. For the combustor simulation, the integrated approach is combined with a Lagrangian parcel method for the liquid spray and state-of-the-art unstructured LES technology for complex geometries. Two overall fuel-to-air ratios are simulated to evaluate the ability of the model to make not only absolute predictions but also quantitative predictions of trends. The Pratt & Whitney combustor is a Rich-Quench-Lean combustor in which combustion first occurs in a fuel-rich primary zone characterized by a large recirculation zone. Dilution air is then added downstream of the recirculation zone, and combustion continues in a fuel-lean secondary zone. The simulations show that large quantities of soot are formed in the fuel-rich recirculation zone, and, furthermore, the overall fuel-to-air ratio dictates both the dominant soot growth process and the location of maximum soot volume fraction. At the higher fuel

  6. Sooting turbulent jet flame: characterization and quantitative soot measurements

    Science.gov (United States)

    Köhler, M.; Geigle, K. P.; Meier, W.; Crosland, B. M.; Thomson, K. A.; Smallwood, G. J.

    2011-08-01

    Computational fluid dynamics (CFD) modelers require high-quality experimental data sets for validation of their numerical tools. Preferred features for numerical simulations of a sooting, turbulent test case flame are simplicity (no pilot flame), well-defined boundary conditions, and sufficient soot production. This paper proposes a non-premixed C2H4/air turbulent jet flame to fill this role and presents an extensive database for soot model validation. The sooting turbulent jet flame has a total visible flame length of approximately 400 mm and a fuel-jet Reynolds number of 10,000. The flame has a measured lift-off height of 26 mm which acts as a sensitive marker for CFD model validation, while this novel compiled experimental database of soot properties, temperature and velocity maps are useful for the validation of kinetic soot models and numerical flame simulations. Due to the relatively simple burner design which produces a flame with sufficient soot concentration while meeting modelers' needs with respect to boundary conditions and flame specifications as well as the present lack of a sooting "standard flame", this flame is suggested as a new reference turbulent sooting flame. The flame characterization presented here involved a variety of optical diagnostics including quantitative 2D laser-induced incandescence (2D-LII), shifted-vibrational coherent anti-Stokes Raman spectroscopy (SV-CARS), and particle image velocimetry (PIV). Producing an accurate and comprehensive characterization of a transient sooting flame was challenging and required optimization of these diagnostics. In this respect, we present the first simultaneous, instantaneous PIV, and LII measurements in a heavily sooting flame environment. Simultaneous soot and flow field measurements can provide new insights into the interaction between a turbulent vortex and flame chemistry, especially since soot structures in turbulent flames are known to be small and often treated in a statistical manner.

  7. Ice nucleation activity of diesel soot particles at cirrus relevant temperature conditions: Effects of hydration, secondary organics coating, soot morphology, and coagulation

    Science.gov (United States)

    Kulkarni, Gourihar; China, Swarup; Liu, Shang; Nandasiri, Manjula; Sharma, Noopur; Wilson, Jacqueline; Aiken, Allison C.; Chand, Duli; Laskin, Alexander; Mazzoleni, Claudio; Pekour, Mikhail; Shilling, John; Shutthanandan, Vaithiyalingam; Zelenyuk, Alla; Zaveri, Rahul A.

    2016-04-01

    Ice formation by diesel soot particles was investigated at temperatures ranging from -40 to -50°C. Size-selected soot particles were physically and chemically aged in an environmental chamber, and their ice nucleating properties were determined using a continuous flow diffusion type ice nucleation chamber. Bare (freshly formed), hydrated, and compacted soot particles, as well as α-pinene secondary organic aerosol (SOA)-coated soot particles at high relative humidity conditions, showed ice formation activity at subsaturation conditions with respect to water but below the homogeneous freezing threshold conditions. However, SOA-coated soot particles at dry conditions were observed to freeze at homogeneous freezing threshold conditions. Overall, our results suggest that heterogeneous ice nucleation activity of freshly emitted diesel soot particles are sensitive to some of the aging processes that soot can undergo in the atmosphere.

  8. Diesel/biodiesel soot oxidation with ceo2 and ceo2-zro2-modified cordierites: a facile way of accounting for their catalytic ability in fuel combustion processes

    Directory of Open Access Journals (Sweden)

    Rodrigo F. Silva

    2011-01-01

    Full Text Available CeO2 and mixed CeO2-ZrO2 nanopowders were synthesized and efficiently deposited onto cordierite substrates, with the evaluation of their morphologic and structural properties through XRD, SEM, and FTIR. The modified substrates were employed as outer heterogeneous catalysts for reducing the soot originated from the diesel and diesel/biodiesel blends incomplete combustion. Their activity was evaluated in a diesel stationary motor, and a comparative analysis of the soot emission was carried out through diffuse reflectance spectroscopy. The analyses have shown that the catalyst-impregnated cordierite samples are very efficient for soot oxidation, being capable of reducing the soot emission in more than 60%.

  9. Soot modeling of counterflow diffusion flames of ethylene-based binary mixture fuels

    KAUST Repository

    Wang, Yu

    2015-03-01

    A soot model was developed based on the recently proposed PAH growth mechanism for C1-C4 gaseous fuels (KAUST PAH Mechanism 2, KM2) that included molecular growth up to coronene (A7) to simulate soot formation in counterflow diffusion flames of ethylene and its binary mixtures with methane, ethane and propane based on the method of moments. The soot model has 36 soot nucleation reactions from 8 PAH molecules including pyrene and larger PAHs. Soot surface growth reactions were based on a modified hydrogen-abstraction-acetylene-addition (HACA) mechanism in which CH3, C3H3 and C2H radicals were included in the hydrogen abstraction reactions in addition to H atoms. PAH condensation on soot particles was also considered. The experimentally measured profiles of soot volume fraction, number density, and particle size were well captured by the model for the baseline case of ethylene along with the cases involving mixtures of fuels. The simulation results, which were in qualitative agreement with the experimental data in the effects of binary fuel mixing on the sooting structures of the measured flames, showed in particular that 5% addition of propane (ethane) led to an increase in the soot volume fraction of the ethylene flame by 32% (6%), despite the fact that propane and ethane are less sooting fuels than is ethylene, which is in reasonable agreement with experiments of 37% (14%). The model revealed that with 5% addition of methane, there was an increase of 6% in the soot volume fraction. The average soot particle sizes were only minimally influenced while the soot number densities were increased by the fuel mixing. Further analysis of the numerical data indicated that the chemical cross-linking effect between ethylene and the dopant fuels resulted in an increase in PAH formation, which led to higher soot nucleation rates and therefore higher soot number densities. On the other hand, the rates of soot surface growth per unit surface area through the HACA mechanism were

  10. Direct processes in heavy ion reactions

    International Nuclear Information System (INIS)

    Bunakov, V.E.; Zagrebaev, V.I.

    1983-01-01

    Direct processes in heavy ion reactions are investigated. Relative theoretical contributions in the inclusive spectrum of α particles on processes of stripping breakup and inelastic breakup are estimated using the 22 Ne+ 181 Ta reaction as an example. The consideration is performed taking into account Coulomb and nuclear distortions in the inlet and outlet ion channels. It is shown that the hard edge of α spectrum and its maximum are well described by peripheral direct processes. The hard spectrum edge is conditioned by the pure process of ''incomplete fussion'' bringing about the production af a compound nucleus. The main part of inclusive spectrum is conditioned by reactions of inelastic and elastic breakup not connected with the production of a compound nucleus

  11. Aromatics oxidation and soot formation in flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J.B.; Pope, C.J.; Shandross, R.A.; Yadav, T. [Massachusetts Institute of Technology, Cambridge (United States)

    1993-12-01

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and soot and fullerenes formation in flames. The scope includes detailed measurements of profiles of stable and radical species concentrations in low-pressure one-dimensional premixed flames. Intermediate species identifications and mole fractions, fluxes, and net reaction rates calculated from the measured profiles are used to test postulated reaction mechanisms. Particular objectives are to identify and to determine or confirm rate constants for the main benzene oxidation reactions in flames, and to characterize fullerenes and their formation mechanisms and kinetics.

  12. Isothermal Kinetics of Catalyzed Air Oxidation of Diesel Soot

    Directory of Open Access Journals (Sweden)

    R. Prasad

    2011-01-01

    Full Text Available To comply with the stringent emission regulations on soot, diesel vehicles manufacturers more and more commonly use diesel particulate filters (DPF. These systems need to be regenerated periodically by burning soot that has been accumulated during the loading of the DPF. Design of the DPF requires rate of soot oxidation. This paper describes the kinetics of catalytic oxidation of diesel soot with air under isothermal conditions. Kinetics data were collected in a specially designed mini-semi-batch reactor. Under the high air flow rate assuming pseudo first order reaction the activation energy of soot oxidation was found to be, Ea = 160 kJ/ mol. ©2010 BCREC UNDIP. All rights reserved(Received: 14th June 2010, Revised: 18th July 2010, Accepted: 9th August 2010[How to Cite: R. Prasad, V.R. Bella. (2010. Isothermal Kinetics of Catalyzed Air Oxidation of Diesel Soot. Bulletin of Chemical Reaction Engineering and Catalysis, 5(2: 95-101. doi:10.9767/bcrec.5.2.796.95-101][DOI:http://dx.doi.org/10.9767/bcrec.5.2.796.95-101 || or local:  http://ejournal.undip.ac.id/index.php/bcrec/article/view/796]Cited by in: ACS 1 |

  13. A mechanistic study on the simultaneous elimination of soot and nitric oxide from engine exhaust

    KAUST Repository

    Raj, Abhijeet; Zainuddin, Zakwan; Sander, Markus; Kraft, Markus

    2011-01-01

    The non-catalytic interaction between soot and nitric oxide (NO) resulting in their simultaneous elimination was studied on different types of reactive site present on soot. The reaction mechanism proposed previously was extended by including seven new reaction pathways for which the reaction energetics and kinetics were studied using density functional theory and transition state theory. This has led to the calculation of a new rate for the removal of carbon monoxide (CO) from soot. The new pathways have been added to our polycyclic aromatic hydrocarbon (PAH) growth model and used to simulate the NO-soot interaction to form CO, N2 and N2O. The simulation results show satisfactory agreement with experiment for the new CO removal rate. The NO-soot reaction was found to depend strongly on the soot site type and temperature. For a set of temperatures, computed PAH structures were analysed to determine the functional groups responsible for the decrease in the reactivity of soot with NO with increasing reaction time. In isothermal conditions, it was found that as temperature is increased, the number of oxygen atoms remaining on the soot surface decreases, while the number of nitrogen atoms increases for a given reaction time. © 2010 Elsevier Ltd. All rights reserved.

  14. A mechanistic study on the simultaneous elimination of soot and nitric oxide from engine exhaust

    KAUST Repository

    Raj, Abhijeet

    2011-04-01

    The non-catalytic interaction between soot and nitric oxide (NO) resulting in their simultaneous elimination was studied on different types of reactive site present on soot. The reaction mechanism proposed previously was extended by including seven new reaction pathways for which the reaction energetics and kinetics were studied using density functional theory and transition state theory. This has led to the calculation of a new rate for the removal of carbon monoxide (CO) from soot. The new pathways have been added to our polycyclic aromatic hydrocarbon (PAH) growth model and used to simulate the NO-soot interaction to form CO, N2 and N2O. The simulation results show satisfactory agreement with experiment for the new CO removal rate. The NO-soot reaction was found to depend strongly on the soot site type and temperature. For a set of temperatures, computed PAH structures were analysed to determine the functional groups responsible for the decrease in the reactivity of soot with NO with increasing reaction time. In isothermal conditions, it was found that as temperature is increased, the number of oxygen atoms remaining on the soot surface decreases, while the number of nitrogen atoms increases for a given reaction time. © 2010 Elsevier Ltd. All rights reserved.

  15. Formation of Soot in Counterflow Diffusion Flames with Carbon Dioxide Dilution

    KAUST Repository

    Wang, Yu

    2016-05-04

    Experimental and numerical modeling studies have been performed to investigate the effect of CO2 dilution on soot formation in ethylene counterflow diffusion flames. Thermal and chemical effects of CO2 addition on soot growth was numerically identified by using a fictitious CO2 species, which was treated as inert in terms of chemical reactions. The results showed that CO2 addition reduces soot formation both thermodynamically and chemically. In terms of chemical effect, the addition of CO2 decreases soot formation through various pathways, including: (1) reduced soot precursor (PAH) formation leading to lower inception rates and soot number density, which in turn results in lower surface area for soot mass addition; (2) reduced H, CH3, and C3H3 concentrations causing lower H abstraction rate and therefore less active site per surface area for soot growth; and (3) reduced C2H2 mole fraction and thus a slower C2H2 mass addition rate. In addition, the sooting limits were also measured for ethylene counterflow flames in both N2 and CO2 atmosphere and the results showed that sooting region was significantly reduced in the CO2 case compared to the N2 case. © 2016 Taylor & Francis.

  16. Strain rate effect on sooting characteristics in laminar counterflow diffusion flames

    KAUST Repository

    Wang, Yu

    2016-01-20

    The effects of strain rate, oxygen enrichment and fuel type on the sooting characteristics of counterflow diffusion flames were studied. The sooting structures and relative PAH concentrations were measured with laser diagnostics. Detailed soot modeling using recently developed PAH chemistry and surface reaction mechanism was performed and the results were compared with experimental data for ethylene flames, focusing on the effects of strain rates. The results showed that increase in strain rate reduced soot volume fraction, average size and peak number density. Increase in oxygen mole fraction increased soot loading and decreased its sensitivity on strain rate. The soot volume fractions of ethane, propene and propane flames were also measured as a function of global strain rate. The sensitivity of soot volume fraction to strain rate was observed to be fuel dependent at a fixed oxygen mole fraction, with the sensitivity being higher for more sooting fuels. However, when the soot loadings were matched at a reference strain rate for different fuels by adjusting oxygen mole fraction, the dependence of soot loading on strain rate became comparable among the tested fuels. PAH concentrations were shown to decrease with increase in strain rate and the dependence on strain rate is more pronounced for larger PAHs. Soot modeling was performed using detailed PAH growth chemistry with molecular growth up to coronene. A qualitative agreement was obtained between experimental and simulation results, which was then used to explain the experimentally observed strain rate effect on soot growth. However, quantitatively, the simulation result exhibits higher sensitivity to strain rate, especially for large PAHs and soot volume fractions.

  17. Soot and radiation in combusting boundary layers

    Energy Technology Data Exchange (ETDEWEB)

    Beier, R.A.

    1981-12-01

    In most fires thermal radiation is the dominant mode of heat transfer. Carbon particles within the fire are responsible for most of this emitted radiation and hence warrant quantification. As a first step toward understanding thermal radiation in full scale fires, an experimental and theoretical study is presented for a laminar combusting boundary layer. Carbon particulate volume fraction profiles and approximate particle size distributions are experimentally determined in both free and forced flow for several hydrocarbon fuels and PMMA (polymethylmethacrylate). A multiwavelength laser transmission technique determines a most probable radius and a total particle concentration which are two unknown parameters in an assumed Gauss size distribution. A sooting region is observed on the fuel rich side of the main reaction zone. For free flow, all the flames are in air, but the free stream ambient oxygen mass fraction is a variable in forced flow. To study the effects of radiation heat transfer, a model is developed for a laminar combusting boundary layer over a pyrolyzing fuel surface. An optically thin approximation simplifies the calculation of the radiant energy flux at the fuel surface. For the free flames in air, the liquid fuel soot volume fractions, f/sub v/, range from f/sub v/ approx. 10/sup -7/ for n-heptane, a paraffin, to f/sub v/ approx. 10/sup -7/ for toluene, an aromatic. The PMMA soot volume fractions, f/sub v/ approx. 5 x 10/sup -7/, are approximately the same as the values previously reported for pool fires. Soot volume fraction increases monotonically with ambient oxygen mass fraction in the forced flow flames. For all fuels tested, a most probable radius between 20 nm and 80 nm is obtained which varies only slightly with oxygen mass fraction, streamwise position, or distance normal to the fuel surface. The theoretical analysis yields nine dimensionless parameters, which control the mass flux rate at the pyrolyzing fuel surface.

  18. Effect of Dimethyl Ether Mixing on Soot Size Distribution in Premixed Ethylene Flame

    KAUST Repository

    Li, Zepeng

    2016-04-21

    As a byproduct of incomplete combustion, soot attracts increasing attentions as extensive researches exploring serious health and environmental effects from soot particles. Soot emission reduction requires a comprehensive understanding of the mechanism for polycyclic aromatic hydrocarbons and of soot formation and aging processes. Therefore, advanced experimental techniques and numerical simulations have been conducted to investigate this procedure. In order to investigate the effects of dimethyl ether (DME) mixing on soot particle size distribution functions (PSDFs), DME was mixed in premixed ethylene/oxygen/argon at flames at the equivalence ratio of 2.0 with a range of mixing ratio from 0% to 30% of the total carbon fed. Two series of atmospheric pressure flames were tested in which cold gas velocity was varied to obtain different flame temperatures. The evolution of PSDFs along the centerline of the flame was determined by burner stabilized stagnation probe and scanning mobility particle sizer (SMPS) techniques, yielding the PSDFs for various separation distances above the burner surface. Meanwhile, the flame temperature profiles were carefully measured by a thermocouple and the comparison to that of simulated laminar premixed burner-stabilized stagnation flame was satisfactory. Additionally, to understand the chemical role of DME mixing in soot properties, characterization measurements were conducted on soot samples using thermo-gravimetric analysis (TGA) and elemental analysis (EA). Results of the evolution of PSDFs and soot volume fraction showed that adding DME into ethylene flame could reduce soot yield significantly. The addition of DME led to the decrease of both the soot nucleation rate and the particle mass growth rate. To explain the possible mechanism for the observation, numerical simulations were performed. Although DME addition resulted in the slight increase of methyl radicals from pyrolysis, the decrease in acetylene and propargyl radicals

  19. A computational study of soot formation in opposed-flow diffusion flame interacting with vortices

    KAUST Repository

    Selvaraj, Prabhu

    2017-01-05

    The flame-vortex interaction enables the study of basic phenomena that control the coupling between combustion and turbulence. Employing a gas phase reaction mechanism considering polycyclic aromatic hydrocarbons (PAH), a two dimensional counterflow ethylene-air flame is simulated. A reduced mechanism with PAH pathways that includes until coronene and method of moments with interpolative closure (MOMIC) has been employed to calculate the soot characteristics. Interaction of sooting flame with a prescribed decaying random velocity field is being investigated. Counterflow nonpremixed flames at low strain rate sooting conditions are considered. Effects of vortices are studied on the flame structures and its sensitivity on the soot formation characteristics. As the vortex rolls up the flame, integrated soot volume fraction is found to be larger for the air-side vortex. A detailed analysis on the flame structure and its influence on the formation of soot were carried out. The results indicate that the larger PAH species contributes to the soot formation in the airside perturbation regimes, whereas the soot formation is dominated by the soot transport in fuel-side perturbation.

  20. Benzene destruction in claus process by sulfur dioxide: A reaction kinetics study

    KAUST Repository

    Sinha, Sourab

    2014-07-02

    Benzene, toluene and xylene (BTX) are present as contaminants in the H 2S gas stream entering a Claus furnace. The exhaust gases from the furnace enter catalytic units, where BTX form soot particles. These particles clog and deactivate the catalysts. A solution to this problem is BTX oxidation before the gases enter catalyst beds. This work presents a theoretical investigation on benzene oxidation by SO2. Density functional theory is used to develop a detailed mechanism for phenyl radical -SO2 interactions. The mechanism begins with SO2 addition to phenyl radical after overcoming an energy barrier of 6.4 kJ/mol. This addition reaction is highly exothermic, where a reaction energy of 182 kJ/mol is released. The most favorable pathway involves O-S bond breakage, leading to the release of SO. A remarkable similarity between the pathways for phenyl radical oxidation by O2 and its oxidation by SO2 is observed. The reaction rate constants are also evaluated to facilitate process simulations. © 2014 American Chemical Society.

  1. Modelling of chemical reactions in metallurgical processes

    OpenAIRE

    Kinaci, M. Efe; Lichtenegger, Thomas; Schneiderbauer, Simon

    2017-01-01

    Iron-ore reduction has attracted much interest in the last three decades since it can be considered as a core process in steel industry. The iron-ore is reduced to iron with the use of blast furnace and fluidized bed technologies. To investigate the harsh conditions inside fluidized bed reactors, computational tools can be utilized. One such tool is the CFD-DEM method, in which the gas phase reactions and governing equations are calculated in the Eulerian (CFD) side, whereas the particle reac...

  2. Impacts of fuel formulation and engine operating parameters on the nanostructure and reactivity of diesel soot

    Science.gov (United States)

    Yehliu, Kuen

    This study focuses on the impacts of fuel formulations on the reactivity and nanostructure of diesel soot. A 2.5L, 4-cylinder, turbocharged, common rail, direct injection light-duty diesel engine was used in generating soot samples. The impacts of engine operating modes and the start of combustion on soot reactivity were investigated first. Based on preliminary investigations, a test condition of 2400 rpm and 64 Nm, with single and split injection strategies, was chosen for studying the impacts of fuel formulation on the characteristics of diesel soot. Three test fuels were used: an ultra low sulfur diesel fuel (BP15), a pure soybean methyl-ester (B100), and a synthetic Fischer-Tropsch fuel (FT) produced in a gas-to-liquid process. The start of injection (SOI) and fuel rail pressures were adjusted such that the three test fuels have similar combustion phasing, thereby facilitating comparisons between soots from the different fuels. Soot reactivity was investigated by thermogravimetric analysis (TGA). According to TGA, B100 soot exhibits the fastest oxidation on a mass basis followed by BP15 and FT derived soots in order of apparent rate constant. X-ray photoelectron spectroscopy (XPS) indicates no relation between the surface oxygen content and the soot reactivity. Crystalline information for the soot samples was obtained using X-ray diffraction (XRD). The basal plane diameter obtained from XRD was inversely related to the apparent rate constants for soot oxidation. For comparison, high resolution transmission electron microscopy (HRTEM) provided images of the graphene layers. Quantitative image analysis proceeded by a custom algorithm. B100 derived soot possessed the shortest mean fringe length and greatest mean fringe tortuosity. This suggests soot (nano)structural disorder correlates with a faster oxidation rate. Such results are in agreement with the X-ray analysis, as the observed fringe length is a measure of basal plane diameter. Moreover the relation

  3. An investigation of late-combustion soot burnout in a DI diesel engine using simultaneous planar imaging of soot and OH radical

    Energy Technology Data Exchange (ETDEWEB)

    John E. Dec; Peter L. Kelly-Zion

    1999-10-01

    Diesel engine design continues to be driven by the need to improve performance while at the same time achieving further reductions in emissions. The development of new designs to accomplish these goals requires an understanding of how the emissions are produced in the engine. Laser-imaging diagnostics are uniquely capable of providing this information, and the understanding of diesel combustion and emissions formation has been advanced considerably in recent years by their application. However, previous studies have generally focused on the early and middle stages of diesel combustion. These previous laser-imaging studies do provide important insight into the soot formation and oxidation processes during the main combustion event. They indicate that prior to the end of injection, soot formation is initiated by fuel-rich premixed combustion (equivalence ratio > 4) near the upstream limit of the luminous portion of the reacting fuel jet. The soot is then oxidized at the diffusion flame around the periphery of the luminous plume. Under typical diesel engine conditions, the diffusion flame does not burn the remaining fuel and soot as rapidly as it is supplied, resulting in an expanding region of rich combustion products and soot. This is evident in natural emission images by the increasing size of the luminous soot cloud prior to the end of injection. Hence, the amount of soot in the combustion chamber typically increases until shortly after the end of fuel injection, at which time the main soot formation period ends and the burnout phase begins. Sampling valve and two-color pyrometry data indicate that the vast majority (more than 90%) of the soot formed is oxidized before combustion ends; however, it is generally thought that a small fraction of this soot from the main combustion zones is not consumed and is the source of tail pipe soot emissions.

  4. Modeling of Reaction Processes Controlled by Diffusion

    International Nuclear Information System (INIS)

    Revelli, Jorge

    2003-01-01

    Stochastic modeling is quite powerful in science and technology.The technics derived from this process have been used with great success in laser theory, biological systems and chemical reactions.Besides, they provide a theoretical framework for the analysis of experimental results on the field of particle's diffusion in ordered and disordered materials.In this work we analyze transport processes in one-dimensional fluctuating media, which are media that change their state in time.This fact induces changes in the movements of the particles giving rise to different phenomena and dynamics that will be described and analyzed in this work.We present some random walk models to describe these fluctuating media.These models include state transitions governed by different dynamical processes.We also analyze the trapping problem in a lattice by means of a simple model which predicts a resonance-like phenomenon.Also we study effective diffusion processes over surfaces due to random walks in the bulk.We consider different boundary conditions and transitions movements.We derive expressions that describe diffusion behaviors constrained to bulk restrictions and the dynamic of the particles.Finally it is important to mention that the theoretical results obtained from the models proposed in this work are compared with Monte Carlo simulations.We find, in general, excellent agreements between the theory and the simulations

  5. Process Technology for Immobilized Lipasecatalyzed Reactions

    DEFF Research Database (Denmark)

    Xu, Yuan

    Biocatalysis has attracted significant attention recently, mainly due to its high selectivity and potential benefits for sustainability. Applications can be found in biorefineries, turning biomass into energy and chemicals, and also for products in the food and pharmaceutical industries. However......, most applications remain in the production of high-value fine chemicals, primarily because of the expense of introducing new technology. In particular lipasecatalyzed synthesis has already achieved efficient operations for high-value products and more interesting now is to establish opportunities...... for low-value products. In order to guide the industrial implementation of immobilized-lipase catalyzed reactions, especially for highvolume low-value products, a methodological framework for dealing with the technical and scientific challenges and establishing an efficient process via targeted scale...

  6. MRI of chemical reactions and processes.

    Science.gov (United States)

    Britton, Melanie M

    2017-08-01

    As magnetic resonance imaging (MRI) can spatially resolve a wealth of molecular information available from nuclear magnetic resonance (NMR), it is able to non-invasively visualise the composition, properties and reactions of a broad range of spatially-heterogeneous molecular systems. Hence, MRI is increasingly finding applications in the study of chemical reactions and processes in a diverse range of environments and technologies. This article will explain the basic principles of MRI and how it can be used to visualise chemical composition and molecular properties, providing an overview of the variety of information available. Examples are drawn from the disciplines of chemistry, chemical engineering, environmental science, physics, electrochemistry and materials science. The review introduces a range of techniques used to produce image contrast, along with the chemical and molecular insight accessible through them. Methods for mapping the distribution of chemical species, using chemical shift imaging or spatially-resolved spectroscopy, are reviewed, as well as methods for visualising physical state, temperature, current density, flow velocities and molecular diffusion. Strategies for imaging materials with low signal intensity, such as those containing gases or low sensitivity nuclei, using compressed sensing, para-hydrogen or polarisation transfer, are discussed. Systems are presented which encapsulate the diversity of chemical and physical parameters observable by MRI, including one- and two-phase flow in porous media, chemical pattern formation, phase transformations and hydrodynamic (fingering) instabilities. Lastly, the emerging area of electrochemical MRI is discussed, with studies presented on the visualisation of electrochemical deposition and dissolution processes during corrosion and the operation of batteries, supercapacitors and fuel cells. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

  7. Cosmic: Carbon Monoxide And Soot In Microgravity Inverse Combustion

    Science.gov (United States)

    Mikofski, M. A.; Blevins, L. G.; Davis, R. W.; Moore, E. F.; Mulholland, G. W.; Sacksteder, Kurt (Technical Monitor)

    2003-01-01

    Almost seventy percent of fire related deaths are caused by the inhalation of toxins such as CO and soot that are produced when fires become underventilated.(1) Although studies have established the importance of CO formation during underventilated burning,(2) the formation processes of CO (and soot) in underventilated fires are not well understood. The goal of the COSMIC project is to study the formation processes of CO and soot in underventilated flames. A potential way to study CO and soot production in underventilated flames is the use of inverse diffusion flames (IDFs). An IDF forms between a central air jet and a surrounding fuel jet. IDFs are related to underventilated flames because they may allow CO and soot to escape unoxidized. Experiments and numerical simulations of laminar IDFs of CH4 and C2H4 were conducted in 1-g and micro-g to study CO and soot formation. Laminar flames were studied because turbulent models of underventilated fires are uncertain. Microgravity was used to alter CO and soot pathways. A IDF literature survey, providing background and establishing motivation for this research, was presented at the 5th IWMC.(3) Experimental results from 1-g C2H4 IDFs and comparisons with simulations, demonstrating similarities between IDFs and underventilated fires, were presented at the 6th IWMC.(4) This paper will present experimental results from micro-g and 1-g IDFs of CH4 and C2H4 as well as comparisons with simulations, further supporting the relation between IDFs and underventilated flames.

  8. Quantifying uncertainty in soot volume fraction estimates using Bayesian inference of auto-correlated laser-induced incandescence measurements

    Science.gov (United States)

    Hadwin, Paul J.; Sipkens, T. A.; Thomson, K. A.; Liu, F.; Daun, K. J.

    2016-01-01

    Auto-correlated laser-induced incandescence (AC-LII) infers the soot volume fraction (SVF) of soot particles by comparing the spectral incandescence from laser-energized particles to the pyrometrically inferred peak soot temperature. This calculation requires detailed knowledge of model parameters such as the absorption function of soot, which may vary with combustion chemistry, soot age, and the internal structure of the soot. This work presents a Bayesian methodology to quantify such uncertainties. This technique treats the additional "nuisance" model parameters, including the soot absorption function, as stochastic variables and incorporates the current state of knowledge of these parameters into the inference process through maximum entropy priors. While standard AC-LII analysis provides a point estimate of the SVF, Bayesian techniques infer the posterior probability density, which will allow scientists and engineers to better assess the reliability of AC-LII inferred SVFs in the context of environmental regulations and competing diagnostics.

  9. Toluene destruction in the Claus process by sulfur dioxide: A reaction kinetics study

    KAUST Repository

    Sinha, Sourab; Raj, Abhijeet Dhayal; Alshoaibi, Ahmed S.; Alhassan, Saeed M.; Chung, Suk-Ho

    2014-01-01

    The presence of aromatics such as benzene, toluene, and xylene (BTX) as contaminants in the H2S gas stream entering Claus sulfur recovery units has a detrimental effect on catalytic reactors, where BTX forms soot particles and clogs and deactivates the catalysts. BTX oxidation, before they enter catalyst beds, can solve this problem. A theoretical investigation is presented on toluene oxidation by SO2. Density functional theory is used to study toluene radical (benzyl, o-methylphenyl, m-methylphenyl, and p-methylphenyl)-SO2 interactions. The mechanism begins with SO2 addition on the radical through one of the O atoms rather than the S atom. This exothermic reaction involves energy barriers of 4.8-6.1 kJ/mol for different toluene radicals. Thereafter, O-S bond scission takes place to release SO. The reaction rate constants are evaluated to facilitate process simulations. Among four toluene radicals, the resonantly stabilized benzyl radical exhibited lowest SO2 addition rate. A remarkable similarity between toluene oxidation by O2 and by SO2 is observed.

  10. Toluene destruction in the Claus process by sulfur dioxide: A reaction kinetics study

    KAUST Repository

    Sinha, Sourab

    2014-10-22

    The presence of aromatics such as benzene, toluene, and xylene (BTX) as contaminants in the H2S gas stream entering Claus sulfur recovery units has a detrimental effect on catalytic reactors, where BTX forms soot particles and clogs and deactivates the catalysts. BTX oxidation, before they enter catalyst beds, can solve this problem. A theoretical investigation is presented on toluene oxidation by SO2. Density functional theory is used to study toluene radical (benzyl, o-methylphenyl, m-methylphenyl, and p-methylphenyl)-SO2 interactions. The mechanism begins with SO2 addition on the radical through one of the O atoms rather than the S atom. This exothermic reaction involves energy barriers of 4.8-6.1 kJ/mol for different toluene radicals. Thereafter, O-S bond scission takes place to release SO. The reaction rate constants are evaluated to facilitate process simulations. Among four toluene radicals, the resonantly stabilized benzyl radical exhibited lowest SO2 addition rate. A remarkable similarity between toluene oxidation by O2 and by SO2 is observed.

  11. Toluene pyrolysis studies and high temperature reactions of propargyl chloride

    Energy Technology Data Exchange (ETDEWEB)

    Kern, R.D.; Chen, H.; Qin, Z. [Univ. of New Orleans, LA (United States)

    1993-12-01

    The main focus of this program is to investigate the thermal decompositions of fuels that play an important role in the pre-particle soot formation process. It has been demonstrated that the condition of maximum soot yield is established when the reaction conditions of temperature and pressure are sufficient to establish a radical pool to support the production of polyaromatic hydrocarbon species and the subsequent formation of soot particles. However, elevated temperatures result in lower soot yields which are attributed to thermolyses of aromatic ring structures and result in the bell-shaped dependence of soot yield on temperature. The authors have selected several acyclic hydrocarbons to evaluate the chemical thermodynamic and kinetic effects attendant to benzene formation. To assess the thermal stability of the aromatic ring, the authors have studied the pyrolyses of benzene, toluene, ethylbenzene, chlorobenzene and pyridine. Time-of-flight mass spectrometry (TOF) is employed to analyze the reaction zone behind reflected shock waves. Reaction time histories of the reactants, products, and intermediates are constructed and mechanisms are formulated to model the experimental data. The TOF work is often performed with use of laser schlieren densitometry (LS) to measure density gradients resulting from the heats of various reactions involved in a particular pyrolytic system. The two techniques, TOF and LS, provide independent and complementary information about ring formation and ring rupture reactions.

  12. Reaction Mechanism for m- Xylene Oxidation in the Claus Process by Sulfur Dioxide

    KAUST Repository

    Sinha, Sourab

    2015-09-24

    In the Claus process, the presence of aromatic contaminants such benzene, toluene, and xylenes (BTX), in the H2S feed stream has a detrimental effect on catalytic reactors, where BTX form soot particles and clog and deactivate the catalysts. Among BTX, xylenes are proven to be most damaging contaminant for catalysts. BTX oxidation in the Claus furnace, before they enter catalyst beds, provides a solution to this problem. A reaction kinetics study on m-xylene oxidation by SO2, an oxidant present in Claus furnace, is presented. The density functional theory is used to study the formation of m-xylene radicals (3-methylbenzyl, 2,6-dimethylphenyl, 2,4-dimethylphenyl, and 3,5-dimethylphenyl) through H-abstraction and their oxidation by SO2. The mechanism begins with SO2 addition on the radicals through an O-atom rather than the S-atom with the release of 180.0-183.1 kJ/mol of reaction energies. This exothermic reaction involves energy barriers in the range 3.9-5.2 kJ/mol for several m-xylene radicals. Thereafter, O-S bond scission takes place to release SO, and the O-atom remaining on aromatics leads to CO formation. Among four m-xylene radicals, the resonantly stabilized 3-methylbenzyl exhibited the lowest SO2 addition and SO elimination rates. The reaction rate constants are provided to facilitate Claus process simulations to find conditions suitable for BTX oxidation. © 2015 American Chemical Society.

  13. Reaction Mechanism for m- Xylene Oxidation in the Claus Process by Sulfur Dioxide

    KAUST Repository

    Sinha, Sourab; Raj, Abhijeet; Al Shoaibi, Ahmed S.; Chung, Suk-Ho

    2015-01-01

    In the Claus process, the presence of aromatic contaminants such benzene, toluene, and xylenes (BTX), in the H2S feed stream has a detrimental effect on catalytic reactors, where BTX form soot particles and clog and deactivate the catalysts. Among BTX, xylenes are proven to be most damaging contaminant for catalysts. BTX oxidation in the Claus furnace, before they enter catalyst beds, provides a solution to this problem. A reaction kinetics study on m-xylene oxidation by SO2, an oxidant present in Claus furnace, is presented. The density functional theory is used to study the formation of m-xylene radicals (3-methylbenzyl, 2,6-dimethylphenyl, 2,4-dimethylphenyl, and 3,5-dimethylphenyl) through H-abstraction and their oxidation by SO2. The mechanism begins with SO2 addition on the radicals through an O-atom rather than the S-atom with the release of 180.0-183.1 kJ/mol of reaction energies. This exothermic reaction involves energy barriers in the range 3.9-5.2 kJ/mol for several m-xylene radicals. Thereafter, O-S bond scission takes place to release SO, and the O-atom remaining on aromatics leads to CO formation. Among four m-xylene radicals, the resonantly stabilized 3-methylbenzyl exhibited the lowest SO2 addition and SO elimination rates. The reaction rate constants are provided to facilitate Claus process simulations to find conditions suitable for BTX oxidation. © 2015 American Chemical Society.

  14. Effect of Morphology and Composition on the Hygroscopicity of Soot Aerosols

    Science.gov (United States)

    Williams, L.; Slowik, J.; Davidovits, P.; Jayne, J.; Kolb, C.; Worsnop, D.; Rudich, Y.

    2003-12-01

    Freshly generated soot aerosols are initially hydrophobic and unlikely to act as cloud condensation nuclei (CCN). However, during combustion many low vapor pressure gas products are formed that may then condense on existing soot aerosols. Additionally, soot particles may acquire coatings as they age, such as acids, salts, and oxygenated organics. An understanding of this aging process and its effect on soot hygroscopicity is necessary to address the potential of soot to act as a CCN. The transformation of soot from hydrophobic to hydrophilic is the focus of this work. An aim here is to determine the minimum coating required for hygroscopic growth. Soot particles produced by combustion of mixtures of fuel and air are size selected by a Differential Mobility Analyzer (DMA) and entrained in a laminar flow passing through a flow tube. The size selected soot particles are mixed with a controlled amount of the gas phase precursors to produce the coatings to be studied. Initial studies are focused on coatings of H2SO4, NH4NO3, and selected organics. The number of particles per unit volume of air is counted by a Condensation Particle Counter (CPC) and the particles are isokinetically sampled into an Aerosol Mass Spectrometer (AMS). Two distinct types of soot aerosols have been observed depending on the type of fuel and air mixture. With soot produced by the combustion of propane and air, the AMS shows a polydisperse particle size distribution with aerodynamic diameters ranging from 100 nm to 400 nm. The aerodynamic diameter is linearly related to the DMA-determined mobility diameter with the product density x shape factor = 1.2. The organic molecules in this soot are mostly PAH compounds. However, when kerosene is added to the propane flame, the soot particle morphology and composition is strikingly altered. While the DMA shows an essentially unchanged mobility diameter distribution, in the range 100 nm to 400, aerodynamic particle diameter is constant at about 100 nm

  15. Effect of relative humidity on soot - secondary organic aerosol mixing: A case study from the Soot Aerosol Aging Study (PNNL-SAAS)

    Science.gov (United States)

    Sharma, N.; China, S.; Zaveri, R. A.; Shilling, J. E.; Pekour, M. S.; Liu, S.; Aiken, A. C.; Dubey, M. K.; Wilson, J. M.; Zelenyuk, A.; OBrien, R. E.; Moffet, R.; Gilles, M. K.; Gourihar, K.; Chand, D.; Sedlacek, A. J., III; Subramanian, R.; Onasch, T. B.; Laskin, A.; Mazzoleni, C.

    2014-12-01

    Atmospheric processing of fresh soot particles emitted by anthropogenic as well as natural sources alters their physical and chemical properties. For example, fresh and aged soot particles interact differently with incident solar radiation, resulting in different overall radiation budgets. Varying atmospheric chemical and meteorological conditions can result in complex soot mixing states. The Soot Aerosol Aging Study (SAAS) was conducted at the Pacific Northwest National Laboratory in November 2013 and January 2014 as a step towards understanding the evolution of mixing state of soot and its impact on climate-relevant properties. Aging experiments on diesel soot were carried out in a controlled laboratory chamber, and the effects of condensation and coagulation processes were systematically explored in separate sets of experiments. In addition to online measurement of aerosol properties, aerosol samples were collected for offline single particle analysis to investigate the evolution of the morphology, elemental composition and fine structure of sample particles from different experiments. Condensation experiments focused on the formation of α-pinene secondary organic aerosol on diesel soot aerosol seeds. Experiments were conducted to study the aging of soot under dry (RH < 2%) and humid conditions (RH ~ 80%). We present an analysis of the morphology of soot, its evolution, and its correlation with optical properties, as the condensation of α-pinene SOA is carried out for the two different RH conditions. The analysis was performed by using scanning electron microscopy, transmission electron microscopy, scanning transmission x-ray microscopy and atomic force microscopy for single particle characterization. In addition, particle size, mass, composition, shape, and density were characterized in-situ, as a function of organics condensed on soot seeds, using single particle mass spectrometer.

  16. Soot Formation Modeling of n-dodecane and Diesel Sprays under Engine-Like Conditions

    DEFF Research Database (Denmark)

    Pang, Kar Mun; Poon, Hiew Mun; Ng, Hoon Kiat

    2015-01-01

    This work concerns the modelling of soot formation process in diesel spray combustion under engine-like conditions. The key aim is to investigate the soot formation characteristics at different ambient temperatures. Prior to simulating the diesel combustion, numerical models including a revised...

  17. Effects of Large Polycyclic Aromatic Hydrocarbons on the Soot Formation in Ethylene-Air Nonpremixed Flames

    KAUST Repository

    Prabhu, S.; Arias, P.G.; Wang, Y.; Gao, Y.; Park, S.; Im, Hong G.; Sarathy, Mani; Chung, Suk-Ho; Lu, T.

    2015-01-01

    This study presents updated comprehensive gas-phase kinetic mechanism and aerosol models to predict soot formation characteristics in ethylene-air nonpremixed flames. A main objective is to investigate the sensitivity of the soot formation rate to various chemical pathways for large polycyclic aromatic hydrocarbons (PAH). In this study, the detailed chemical mechanism was reduced from 397 to 99 species using directed relation graph (DRG) and sensitivity analysis. The method of moments with interpolative closure (MOMIC) was employed for the soot aerosol model. Counterflow nonpremixed flames of pure ethylene at low strain rate sooting conditions are considered, for which the sensitivity of soot formation characteristics with respect to hetrogeneous nucleation is investigated. Results show that higher PAH concentrations result in higher soot nucleation rate, and that the average size of the particles are in good agreement with experimental results. It is found that the nucleation processes (i.e., soot inception) from higher PAH precursors, coronene in particular, is critical for accurate prediction of the overall soot formation.

  18. Effects of Large Polycyclic Aromatic Hydrocarbons on the Soot Formation in Ethylene-Air Nonpremixed Flames

    KAUST Repository

    Prabhu, S.

    2015-03-30

    This study presents updated comprehensive gas-phase kinetic mechanism and aerosol models to predict soot formation characteristics in ethylene-air nonpremixed flames. A main objective is to investigate the sensitivity of the soot formation rate to various chemical pathways for large polycyclic aromatic hydrocarbons (PAH). In this study, the detailed chemical mechanism was reduced from 397 to 99 species using directed relation graph (DRG) and sensitivity analysis. The method of moments with interpolative closure (MOMIC) was employed for the soot aerosol model. Counterflow nonpremixed flames of pure ethylene at low strain rate sooting conditions are considered, for which the sensitivity of soot formation characteristics with respect to hetrogeneous nucleation is investigated. Results show that higher PAH concentrations result in higher soot nucleation rate, and that the average size of the particles are in good agreement with experimental results. It is found that the nucleation processes (i.e., soot inception) from higher PAH precursors, coronene in particular, is critical for accurate prediction of the overall soot formation.

  19. Catalytic process for tritium exchange reaction

    International Nuclear Information System (INIS)

    Hansoo Lee; Kang, H.S.; Paek, S.W.; Hongsuk Chung; Yang Geun Chung; Sook Kyung Lee

    2001-01-01

    The catalytic activities for a hydrogen isotope exchange were measured through the reaction of a vapor and gas mixture. The catalytic activity showed to be comparable with the published data. Since the gas velocity is relatively low, the deactivation was not found clearly during the 5-hour experiment. Hydrogen isotope transfer experiments were also conducted through the liquid phase catalytic exchange reaction column that consisted of a catalytic bed and a hydrophilic bed. The efficiencies of both the catalytic and hydrophilic beds were higher than 0.9, implying that the column performance was excellent. (author)

  20. High-precision (p,t) reactions to determine reaction rates of explosive stellar processes

    NARCIS (Netherlands)

    Matić, Andrija

    2007-01-01

    The aim of my study was to investigate the nuclear structure of 22Mg and 26Si. These two nuclei play a significant role in stellar reaction processes at high temperatures. On base of the obtained nuclear structure we calculated the stellar reaction rates for the following reactions: 18Ne(α,p)21Na,

  1. Rule-Based Event Processing and Reaction Rules

    Science.gov (United States)

    Paschke, Adrian; Kozlenkov, Alexander

    Reaction rules and event processing technologies play a key role in making business and IT / Internet infrastructures more agile and active. While event processing is concerned with detecting events from large event clouds or streams in almost real-time, reaction rules are concerned with the invocation of actions in response to events and actionable situations. They state the conditions under which actions must be taken. In the last decades various reaction rule and event processing approaches have been developed, which for the most part have been advanced separately. In this paper we survey reaction rule approaches and rule-based event processing systems and languages.

  2. Engineered Alloy Structures by Friction Stir Reaction Processing, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This SBIR Phase I effort examines the feasibility of an innovative surface modification technology incorporating friction stir reaction processing for producing...

  3. Morphology and nano-structure analysis of soot particles sampled from high pressure diesel jet flames under diesel-like conditions

    Science.gov (United States)

    Jiang, Hao; Li, Tie; Wang, Yifeng; He, Pengfei

    2018-04-01

    Soot particles emitted from diesel engines have a significant impact on the atmospheric environment. Detailed understanding of soot formation and oxidation processes is helpful for reducing the pollution of soot particles, which requires information such as the size and nano-structure parameters of the soot primary particles sampled in a high-temperature and high-pressure diesel jet flame. Based on the thermophoretic principle, a novel sampling probe minimally disturbing the diesel jet flame in a constant volume combustion vessel is developed for analysing soot particles. The injected quantity of diesel fuel is less than 10 mg, and the soot particles sampled by carriers with a transmission electron microscope (TEM) grid and lacey TEM grid can be used to analyse the morphologies of soot aggregates and the nano-structure of the soot primary particles, respectively. When the quantity of diesel fuel is more than 10 mg, in order to avoid burning-off of the carriers in higher temperature and pressure conditions, single-crystal silicon chips are employed. Ultrasonic oscillations and alcohol extraction are then implemented to obtain high quality soot samples for observation using a high-resolution transmission electron microscope. An in-house Matlab-based code is developed to extract the nano-structure parameters of the soot particles. A complete sampling and analysis procedure of the soot particles is provided to study the formation and oxidation mechanism of soot.

  4. Implementation of two-equation soot flamelet models for laminar diffusion flames

    Energy Technology Data Exchange (ETDEWEB)

    Carbonell, D.; Oliva, A.; Perez-Segarra, C.D. [Centre Tecnologic de Transferencia de Calor (CTTC), Universitat Politecnica de Catalunya (UPC), ETSEIAT, Colom 11, E-08222, Terrassa (Barcelona) (Spain)

    2009-03-15

    The two-equation soot model proposed by Leung et al. [K.M. Leung, R.P. Lindstedt, W.P. Jones, Combust. Flame 87 (1991) 289-305] has been derived in the mixture fraction space. The model has been implemented using both Interactive and Non-Interactive flamelet strategies. An Extended Enthalpy Defect Flamelet Model (E-EDFM) which uses a flamelet library obtained neglecting the soot formation is proposed as a Non-Interactive method. The Lagrangian Flamelet Model (LFM) is used to represent the Interactive models. This model uses direct values of soot mass fraction from flamelet calculations. An Extended version (E-LFM) of this model is also suggested in which soot mass fraction reaction rates are used from flamelet calculations. Results presented in this work show that the E-EDFM predict acceptable results. However, it overpredicts the soot volume fraction due to the inability of this model to couple the soot and gas-phase mechanisms. It has been demonstrated that the LFM is not able to predict accurately the soot volume fraction. On the other hand, the extended version proposed here has been shown to be very accurate. The different flamelet mathematical formulations have been tested and compared using well verified reference calculations obtained solving the set of the Full Transport Equations (FTE) in the physical space. (author)

  5. Soot and short-lived pollutants provide political opportunity

    Science.gov (United States)

    Victor, David G.; Zaelke, Durwood; Ramanathan, Veerabhadran

    2015-09-01

    Cutting levels of soot and other short-lived pollutants delivers tangible benefits and helps governments to build confidence that collective action on climate change is feasible. After the Paris climate meeting this December, actually reducing these pollutants will be essential to the credibility of the diplomatic process.

  6. Phototransformation rate constants of PAHs associated with soot particles

    International Nuclear Information System (INIS)

    Kim, Daekyun; Young, Thomas M.; Anastasio, Cort

    2013-01-01

    Photodegradation is a key process governing the residence time and fate of polycyclic aromatic hydrocarbons (PAHs) in particles, both in the atmosphere and after deposition. We have measured photodegradation rate constants of PAHs in bulk deposits of soot particles illuminated with simulated sunlight. The photodegradation rate constants at the surface (k p 0 ), the effective diffusion coefficients (D eff ), and the light penetration depths (z 0.5 ) for PAHs on soot layers of variable thickness were determined by fitting experimental data with a model of coupled photolysis and diffusion. The overall disappearance rates of irradiated low molecular weight PAHs (with 2–3 rings) on soot particles were influenced by fast photodegradation and fast diffusion kinetics, while those of high molecular weight PAHs (with 4 or more rings) were apparently controlled by either the combination of slow photodegradation and slow diffusion kinetics or by very slow diffusion kinetics alone. The value of z 0.5 is more sensitive to the soot layer thickness than the k p 0 value. As the thickness of the soot layer increases, the z 0.5 values increase, but the k p 0 values are almost constant. The effective diffusion coefficients calculated from dark experiments are generally higher than those from the model fitting method for illumination experiments. Due to the correlation between k p 0 and z 0.5 in thinner layers, D eff should be estimated by an independent method for better accuracy. Despite some limitations of the model used in this study, the fitted parameters were useful for describing empirical results of photodegradation of soot-associated PAHs. - Highlights: ► PAHs on soot were evaluated by a model of coupled photolysis and diffusion. ► Photodegradation rate at the surface, diffusion coefficient, and light penetration path were determined. ► Low MW PAHs were influenced by fast photodegradation and fast diffusion. ► High MW PAHs were controlled either by slow

  7. Stereodynamics: From elementary processes to macroscopic chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Kasai, Toshio [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Graduate School of Science, Department of Chemistry, Osaka University, Toyonaka, 560-0043 Osaka (Japan); Che, Dock-Chil [Graduate School of Science, Department of Chemistry, Osaka University, Toyonaka, 560-0043 Osaka (Japan); Tsai, Po-Yu [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Department of Chemistry, National Chung Hsing University, Taichung 402, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China); Lin, King-Chuen [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China); Palazzetti, Federico [Scuola Normale Superiore, Pisa (Italy); Dipartimento di Chimica Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Aquilanti, Vincenzo [Dipartimento di Chimica Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Istituto di Struttura della Materia, Consiglio Nazionale delle Ricerche, Roma (Italy); Instituto de Fisica, Universidade Federal da Bahia, Salvador (Brazil)

    2015-12-31

    This paper aims at discussing new facets on stereodynamical behaviors in chemical reactions, i.e. the effects of molecular orientation and alignment on reactive processes. Further topics on macroscopic processes involving deviations from Arrhenius behavior in the temperature dependence of chemical reactions and chirality effects in collisions are also discussed.

  8. The Ice Nucleation Activity of Surface Modified Soot

    Science.gov (United States)

    Häusler, Thomas; Witek, Lorenz; Felgitsch, Laura; Hitzenberger, Regina; Grothe, Hinrich

    2017-04-01

    The ice nucleation efficiency of many important atmospheric particles remains poorly understood. Since soot is ubiquitous in the Earth's troposphere, they might have the potential to significantly impact the Earth's climate (Finlayson-Pitts and Pitts, 2000; Seinfeld and Pandis, 1998). Here we present the ice nucleation activity (INA) in immersion freezing mode of different types of soot. Therefor a CAST (combustion aerosol standard) generator was used to produce different kinds of soot samples. The CAST generator combusts a propane-air-mixture and deposits thereby produced soot on a polyvinyl fluoride filter. By varying the propane to air ratio, the amount of organic portion of the soot can be varied from black carbon (BC) with no organic content to brown carbon (BrC) with high organic content. To investigate the impact of functional sites of ice nuclei (IN), the soot samples were exposed to NO2 gas for a certain amount of time (30 to 360 minutes) to chemically modify the surface. Immersion freezing experiments were carried out in a unique reaction gadget. In this device a water-in-oil suspension (with the soot suspended in the aqueous phase) was cooled till the freezing point and was observed through a microscope (Pummer et al., 2012; Zolles et al., 2015) It was found that neither modified nor unmodified BC shows INA. On the contrary, unmodified BrC shows an INA at -32˚ C, which can be increased up to -20˚ C. The INA of BrC depends on the duration of NO2- exposure. To clarify the characteristics of the surface modifications, surface sensitive analysis like infrared spectroscopy and X-ray photoelectron spectroscopy were carried out. Finlayson-Pitts, B. J. and Pitts, J. N. J.: Chemistry of the Upper and Lower Atmosphere, Elsevier, New York, 2000. Pummer, B. G., Bauer, H., Bernardi, J., Bleicher, S., and Grothe, H.: Suspendable macromolecules are responsible for ice nucleation activity of birch and conifer pollen, Atmos Chem Phys, 12, 2541-2550, 2012. Seinfeld, J

  9. Nanoparticle production by UV irradiation of combustion generated soot particles

    International Nuclear Information System (INIS)

    Stipe, Christopher B.; Choi, Jong Hyun; Lucas, Donald; Koshland, Catherine P.; Sawyer, Robert F.

    2004-01-01

    Laser ablation of surfaces normally produce high temperature plasmas that are difficult to control. By irradiating small particles in the gas phase, we can better control the size and concentration of the resulting particles when different materials are photofragmented. Here, we irradiate soot with 193 nm light from an ArF excimer laser. Irradiating the original agglomerated particles at fluences ranging from 0.07 to 0.26 J/cm 2 with repetition rates of 20 and 100 Hz produces a large number of small, unagglomerated particles, and a smaller number of spherical agglomerated particles. Mean particle diameters from 20 to 50 nm are produced from soot originally having a mean electric mobility diameter of 265nm. We use a non-dimensional parameter, called the photon/atom ratio (PAR), to aid in understanding the photofragmentation process. This parameter is the ratio of the number of photons striking the soot particles to the number of the carbon atoms contained in the soot particles, and is a better metric than the laser fluence for analyzing laser-particle interactions. These results suggest that UV photofragmentation can be effective in controlling particle size and morphology, and can be a useful diagnostic for studying elements of the laser ablation process

  10. Electronic dissipation processes during chemical reactions on surfaces

    CERN Document Server

    Stella, Kevin

    2012-01-01

    Hauptbeschreibung Every day in our life is larded with a huge number of chemical reactions on surfaces. Some reactions occur immediately, for others an activation energy has to be supplied. Thus it happens that though a reaction should thermodynamically run off, it is kinetically hindered. Meaning the partners react only to the thermodynamically more stable product state within a mentionable time if the activation energy of the reaction is supplied. With the help of catalysts the activation energy of a reaction can be lowered. Such catalytic processes on surfaces are widely used in industry. A

  11. Evaluation and optimisation of phenomenological multi-step soot model for spray combustion under diesel engine-like operating conditions

    Science.gov (United States)

    Pang, Kar Mun; Jangi, Mehdi; Bai, Xue-Song; Schramm, Jesper

    2015-05-01

    In this work, a two-dimensional computational fluid dynamics study is reported of an n-heptane combustion event and the associated soot formation process in a constant volume combustion chamber. The key interest here is to evaluate the sensitivity of the chemical kinetics and submodels of a semi-empirical soot model in predicting the associated events. Numerical computation is performed using an open-source code and a chemistry coordinate mapping approach is used to expedite the calculation. A library consisting of various phenomenological multi-step soot models is constructed and integrated with the spray combustion solver. Prior to the soot modelling, combustion simulations are carried out. Numerical results show that the ignition delay times and lift-off lengths exhibit good agreement with the experimental measurements across a wide range of operating conditions, apart from those in the cases with ambient temperature lower than 850 K. The variation of the soot precursor production with respect to the change of ambient oxygen levels qualitatively agrees with that of the conceptual models when the skeletal n-heptane mechanism is integrated with a reduced pyrene chemistry. Subsequently, a comprehensive sensitivity analysis is carried out to appraise the existing soot formation and oxidation submodels. It is revealed that the soot formation is captured when the surface growth rate is calculated using a square root function of the soot specific surface area and when a pressure-dependent model constant is considered. An optimised soot model is then proposed based on the knowledge gained through this exercise. With the implementation of optimised model, the simulated soot onset and transport phenomena before reaching quasi-steady state agree reasonably well with the experimental observation. Also, variation of spatial soot distribution and soot mass produced at oxygen molar fractions ranging from 10.0 to 21.0% for both low and high density conditions are reproduced.

  12. Evaluation of a Lagrangian Soot Tracking Method for the prediction of primary soot particle size under engine-like conditions

    DEFF Research Database (Denmark)

    Cai Ong, Jiun; Pang, Kar Mun; Walther, Jens Honore

    2018-01-01

    This paper reports the implementation and evaluation of a Lagrangian soot tracking (LST) method for the modeling of soot in diesel engines. The LST model employed here has the tracking capability of a Lagrangian method and the ability to predict primary soot particle sizing. The Moss-Brookes soot...... in predicting temporal soot cloud development, mean soot diameter and primary soot size distribution is evaluated using measurements of n-heptane and n-dodecane spray combustion obtained under diesel engine-like conditions. In addition, sensitivity studies are carried out to investigate the influence of soot....... A higher rate of soot oxidation due to OH causes the soot particles to be fully oxidized downstream of the flame. In general, the LST model performs better than the Eulerian method in terms of predicting soot sizing and accessing information of individual soot particles, both of which are shortcomings...

  13. Study on soot particle formation and oxidation in DI diesel engine; Chokufunshiki diesel kikan ni okeru susu ryushi no seicho sanka ni kansuru kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Kurata, K; Senda, J; Fujimoto, H [Doshisha University, Kyoto (Japan); Asai, G [Yanmar Diesel Engine Co. Ltd., Osaka (Japan)

    1997-10-01

    To clarify soot formation and oxidation process in diesel combustion, the natural emission of OH radical and the flame temperature were obtained in the combustion chamber of D.I. diesel engine. Further, soot were detected by LII (Laser Induced Incandescence) and LIS (Laser Induced Scattering) technique to assess the relative soot diameter and its number density. OH emission and flame temperature were compared with data of soot diameter and number- density. The results show that : (1) OH emission has relation to flame temperature. (2) OH emission arises latter than soot emission, because early soot at early combustion consume OH to oxidate. (3) As soon as it is ignited, soot particles are formed in the region of low temperature. 6 refs., 7 figs., 2 tabs.

  14. Dynamical processes in heavy ion reactions

    International Nuclear Information System (INIS)

    Blann, M.; Remington, B.A.

    1988-01-01

    In this report I review the physical assumptions of the Boltzmann Master Equation (BME). Comparisons of the model with experimental neutron spectra gated on evaporation residues for a range of incident projectile energies and masses are presented; next, I compare n spectra gated on projectile-like fragments, followed by comparisons with ungated, inclusive proton spectra. I will then consider secondary effects from the nucleon-nucleon processes involved in the heavy ion relaxation processes, specifically the high energy γ-rays which have been observed at energies up to 140 MeV in collisions of heavy ions of 20/endash/84 MeV/μ. Another secondary effect, subthreshold pion production, was covered in the XVII School and will not be repeated. 39 refs., 16 figs

  15. Irreversible thermodynamics of Poisson processes with reaction.

    Science.gov (United States)

    Méndez, V; Fort, J

    1999-11-01

    A kinetic model is derived to study the successive movements of particles, described by a Poisson process, as well as their generation. The irreversible thermodynamics of this system is also studied from the kinetic model. This makes it possible to evaluate the differences between thermodynamical quantities computed exactly and up to second-order. Such differences determine the range of validity of the second-order approximation to extended irreversible thermodynamics.

  16. Small particles big effect? - Investigating ice nucleation abilities of soot particles

    Science.gov (United States)

    Mahrt, Fabian; David, Robert O.; Lohmann, Ulrike; Stopford, Chris; Wu, Zhijun; Kanji, Zamin A.

    2017-04-01

    Atmospheric soot particles are primary particles produced by incomplete combustion of biomass and/or fossil fuels. Thus soot mainly originates from anthropogenic emissions, stemming from combustion related processes in transport vehicles, industrial and residential uses. Such soot particles are generally complex mixtures of black carbon (BC) and organic matter (OM) (Bond et al., 2013; Petzold et al., 2013), depending on the sources and the interaction of the primary particles with other atmospheric matter and/or gases BC absorbs solar radiation having a warming effect on global climate. It can also act as a heterogeneous ice nucleating particle (INP) and thus impact cloud-radiation interactions, potentially cooling the climate (Lohmann, 2002). Previous studies, however, have shown conflicting results concerning the ice nucleation ability of soot, limiting the ability to predict its effects on Earth's radiation budget. Here we present a laboratory study where we systematically investigate the ice nucleation behavior of different soot particles. Commercial soot samples are used, including an amorphous, industrial carbon frequently used in coatings and coloring (FW 200, Orion Engineered Carbons) and a fullerene soot (572497 ALDRICH), e.g. used as catalyst. In addition, we use soot generated from a propane flame Combustion Aerosol Standard Generator (miniCAST, JING AG), as a proxy for atmospheric soot particles. The ice nucleation ability of these soot types is tested on size-selected particles for a wide temperature range from 253 K to 218 K, using the Horizontal Ice Nucleation Chamber (HINC), a Continuous Flow Diffusion Chamber (CFDC) (Kanji and Abbatt, 2009). Ice nucleation results from these soot surrogates will be compared to chemically more complex real world samples, collected on filters. Filters will be collected during the 2016/2017 winter haze periods in Beijing, China and represent atmospheric soot particles with sources from both industrial and residential

  17. NASA: Black soot fuels global warming

    CERN Multimedia

    2003-01-01

    New research from NASA's Goddard Space Center scientists suggests emissions of black soot have been altering the way sunlight reflects off Earth's snow. The research indicates the soot could be responsible for as much as 25 percent of global warming over the past century (assorted news items, 1 paragraph each).

  18. Quantitative effects of rapid heating on soot-particle sizing through analysis of two-pulse LII

    KAUST Repository

    Cenker, Emre; Roberts, William L.

    2017-01-01

    particle size, respectively. Overall, effects of these two processes on soot and LII model-based particle sizing are investigated by measuring the two-color time-resolved (2C-TiRe) LII signal decay from in-flame soot after two consecutive laser pulses

  19. Modelling thermal radiation and soot formation in buoyant diffusion flames

    International Nuclear Information System (INIS)

    Demarco Bull, R.A.

    2012-01-01

    The radiative heat transfer plays an important role in fire problems since it is the dominant mode of heat transfer between flames and surroundings. It controls the pyrolysis, and therefore the heat release rate, and the growth rate of the fire. In the present work a numerical study of buoyant diffusion flames is carried out, with the main objective of modelling the thermal radiative transfer and the soot formation/destruction processes. In a first step, different radiative property models were tested in benchmark configurations. It was found that the FSCK coupled with the Modest and Riazzi mixing scheme was the best compromise in terms of accuracy and computational requirements, and was a good candidate to be implemented in CFD codes dealing with fire problems. In a second step, a semi-empirical soot model, considering acetylene and benzene as precursor species for soot nucleation, was validated in laminar co flow diffusion flames over a wide range of hydrocarbons (C1-C3) and conditions. In addition, the optically-thin approximation was found to produce large discrepancies in the upper part of these small laminar flames. Reliable predictions of soot volume fractions require the use of an advanced radiation model. Then the FSCK and the semi-empirical soot model were applied to simulate laboratory-scale and intermediate-scale pool fires of methane and propane. Predicted flame structures as well as the radiant heat flux transferred to the surroundings were found to be in good agreement with the available experimental data. Finally, the interaction between radiation and turbulence was quantified. (author)

  20. Investigating the formation mechanism of soot-like materials present in blast furnace coke samples

    Energy Technology Data Exchange (ETDEWEB)

    S. Dong; P. A' lvarez; N. Paterson; D.R. Dugwell; R. Kandiyoti [Imperial College London, London (United Kingdom). Department of Chemical Engineering

    2008-09-15

    An attempt to gain an understanding of the formation mechanism of these 'soot-like' materials has been made by means of tracing the changes in the molecular-mass distribution and molecular structure of the NMP-extractable materials from an injectant coal as well as its partially gasified chars and its pyrolytic tars. Variations in the SEC chromatograms provide clues about changes in the apparent molecular-mass distributions of these NMP extracts. Results suggest that the build-up of 'soot-like' materials follows from the secondary reactions of tars evolved from the injectant coal. The likely secondary-reaction pathways have been probed by collating structural information on these NMP extracts. The time-resolved 13-16 and 22-25 min elution fractions from the SEC column have been characterized using UV fluorescence (UV F) spectroscopy. Greater concentrations of larger aromatic ring systems are found present in samples formed under conditions appearing more prone for soot formation. The 11-16 min (large apparent molecular mass) effluent from SEC has been examined by Fourier transform infrared (FTIR) spectroscopy and transmission electron microscopy (TEM). Results from FTIR spectroscopy are consistent with the UV F data, showing more significant extents of dehydrogenation under conditions more prone to form soot. Similarly, TEM results show that larger amount of graphene layers exist in samples exposed to more soot-prone conditions. The emerging picture for the formation of 'soot-like' materials involves a well-defined sequence. Tars evolved from the injectant coal undergo secondary dehydrogenation, condensation, and repolymerization reactions, which eventually lead to the formation of the NMP-extractable 'soot-like' materials of large apparent molecular mass. 44 refs., 7 figs., 3 tabs.

  1. Internally mixed soot, sulfates, and organic matter in aerosol particles from Mexico City

    Science.gov (United States)

    Adachi, K.; Buseck, P. R.

    2008-05-01

    Soot particles are major aerosol constituents that result from emissions of burning of fossil fuel and biomass. Because they both absorb sunlight and contribute to cloud formation, they are an influence on climate on local, regional, and global scales. It is therefore important to evaluate their optical and hygroscopic properties and those effects on the radiation budget. Those properties commonly change through reaction with other particles or gases, resulting in complex internal mixtures. Using transmission electron microscopy, we measured ~8000 particles (25 samples) with aerodynamic diameters from 0.05 to 0.3 μm that were collected in March 2006 from aircraft over Mexico City (MC) and adjacent areas. More than 50% of the particles consist of internally mixed soot, organic matter, and sulfate. Imaging combined with chemical analysis of individual particles show that many are coated, consist of aggregates, or both. Coatings on soot particles can amplify their light absorption, and coagulation with sulfates changes their hygroscopic properties, resulting in shorter lifetime. Our results suggest that a mixture of materials from multiple sources such as vehicles, power plants, and biomass burning occurs in individual particles, thereby increasing their complexity. Through changes in their optical and hygroscopic properties, internally mixed soot particles have a greater effect on the regional climate than uncoated soot particles. Moreover, soot occurs in more than 60% of all particles in the MC plumes, suggesting its important role in the formation of secondary aerosol particles.

  2. Estimation of the Diesel Particulate Filter Soot Load Based on an Equivalent Circuit Model

    Directory of Open Access Journals (Sweden)

    Yanting Du

    2018-02-01

    Full Text Available In order to estimate the diesel particulate filter (DPF soot load and improve the accuracy of regeneration timing, a novel method based on an equivalent circuit model is proposed based on the electric-fluid analogy. This proposed method can reduce the impact of the engine transient operation on the soot load, accurately calculate the flow resistance, and improve the estimation accuracy of the soot load. Firstly, the least square method is used to identify the flow resistance based on the World Harmonized Transient Cycle (WHTC test data, and the relationship between flow resistance, exhaust temperature and soot load is established. Secondly, the online estimation of the soot load is achieved by using the dual extended Kalman filter (DEKF. The results show that this method has good convergence and robustness with the maximal absolute error of 0.2 g/L at regeneration timing, which can meet engineering requirements. Additionally, this method can estimate the soot load under engine transient operating conditions and avoids a large number of experimental tests, extensive calibration and the analysis of complex chemical reactions required in traditional methods.

  3. Soot volume fraction fields in unsteady axis-symmetric flames by continuous laser extinction technique.

    Science.gov (United States)

    Kashif, Muhammad; Bonnety, Jérôme; Guibert, Philippe; Morin, Céline; Legros, Guillaume

    2012-12-17

    A Laser Extinction Method has been set up to provide two-dimensional soot volume fraction field time history at a tunable frequency up to 70 Hz inside an axis-symmetric diffusion flame experiencing slow unsteady phenomena preserving the symmetry. The use of a continuous wave laser as the light source enables this repetition rate, which is an incremental advance in the laser extinction technique. The technique is shown to allow a fine description of the soot volume fraction field in a flickering flame exhibiting a 12.6 Hz flickering phenomenon. Within this range of repetition rate, the technique and its subsequent post-processing require neither any method for time-domain reconstruction nor any correction for energy intrusion. Possibly complemented by such a reconstruction method, the technique should support further soot volume fraction database in oscillating flames that exhibit characteristic times relevant to the current efforts in the validation of soot processes modeling.

  4. Heavy lon Reactions The Elementary Processes, Parts I and II

    CERN Document Server

    Broglia, Ricardo A

    2004-01-01

    Combining elastic and inelastic processes with transfer reactions, this two-part volume explores how these events affect heavy ion collisions. Special attention is given to processes involving the transfer of two nucleons, which are specific for probing pairing correlations in nuclei. This novel treatment provides, together with the description of surface vibration and rotations, a unified picture of heavy ion reactions in terms of the elementary modes of nuclear excitation. Heavy Ion Reactions is essential reading for beginning graduate students as well as experienced researchers.

  5. Comparison of Preparation Methods of Copper Based PGMFree Diesel-Soot Oxidation Catalysts

    Directory of Open Access Journals (Sweden)

    R. Prasad

    2011-05-01

    Full Text Available CuO-CeO2 systems have been proposed as a promising catalyst for low temperature diesel-soot oxidation. CuO-CeO2 catalysts prepared by various methods were examined for air oxidation of the soot in a semi batch tubular flow reactor. The air oxidation of soot was carried out under tight contact with soot/catalyst ratio of 1/10. Air flow rate was 150 ml/min, soot-catalyst mixture was 110 mg, heating rate was 5 0C/min. Prepared catalysts were calcined at 500 0C and their stability was examined by further heating to 800 0C for 4 hours. It was found that the selectivity of all the catalysts was nearly 100% to CO2 production. It was observed that the activity and stability of the catalysts greatly influenced by the preparation methods. The strong interaction between CuO and CeO2 is closely related to the preparation route that plays a crucial role in the soot oxidation over the CuO-CeO2 catalysts. The ranking order of the preparation methods of the catalysts in the soot oxidation performance is as follows: sol-gel > urea nitrate combustion > Urea gelation method > thermal decomposition > co-precipitation. Copyright © 2011 BCREC UNDIP. All rights reserved.(Received: 27th June 2010, Revised: 7th August 2010; Accepted: 13rd October 2010[How to Cite: R. Prasad, V.R. Bella. (2011. Comparison of Preparation Methods of Copper Based PGMFree Diesel-Soot Oxidation Catalysts. Bulletin of Chemical Reaction Engineering and Catalysis, 6(1: 15-21. doi:10.9767/bcrec.6.1.822.15-21][How to Link / DOI: http://dx.doi.org/10.9767/bcrec.6.1.822.15-21 || or local: http://ejournal.undip.ac.id/index.php/bcrec/article/view/822 | View in 

  6. Application of a robust and efficient Lagrangian particle scheme to soot transport in turbulent flames

    KAUST Repository

    Attili, Antonio

    2013-09-01

    A Lagrangian particle scheme is applied to the solution of soot dynamics in turbulent nonpremixed flames. Soot particulate is described using a method of moments and the resulting set of continuum advection-reaction equations is solved using the Lagrangian particle scheme. The key property of the approach is the independence between advection, described by the movement of Lagrangian notional particles along pathlines, and internal aerosol processes, evolving on each notional particle via source terms. Consequently, the method overcomes the issues in Eulerian grid-based schemes for the advection of moments: errors in the advective fluxes pollute the moments compromising their realizability and the stiffness of source terms weakens the stability of the method. The proposed scheme exhibits superior properties with respect to conventional Eulerian schemes in terms of stability, accuracy, and grid convergence. Taking into account the quality of the solution, the Lagrangian approach can be computationally more economical than commonly used Eulerian schemes as it allows the resolution requirements dictated by the different physical phenomena to be independently optimized. Finally, the scheme posseses excellent scalability on massively parallel computers. © 2013 Elsevier Ltd.

  7. Chemical composition and heterogeneous reactivity of soot generated in the combustion of diesel and GTL (Gas-to-Liquid) fuels and amorphous carbon Printex U with NO2 and CF3COOH gases

    Science.gov (United States)

    Tapia, A.; Salgado, S.; Martín, P.; Villanueva, F.; García-Contreras, R.; Cabañas, B.

    2018-03-01

    The heterogeneous reactions of nitrogen dioxide (NO2) and trifluoroacetic acid (CF3COOH) with soot produced by diesel and GTL (gas-to-liquid) fuels were investigated using a Knudsen flow reactor with mass spectrometry as a detection system for gas phase species. Soot was generated with a 4 cylinder diesel engine working under steady-state like urban operation mode. Heterogeneous reaction of the mentioned gases with a commercial carbon, Printex U, used as reference, was also analyzed. The initial and the steady-state uptake coefficients, γ0 and γss, respectively, were measured indicating that GTL soot reacts faster than diesel soot and Printex U carbon for NO2 gas reactant. According to the number of reacted molecules on the surface, Printex U soot presents more reducing sites than diesel and GTL soot. Initial uptake coefficients for GTL and diesel soot for the reaction with CF3COOH gas reactant are very similar and no clear conclusions can be obtained related to the initial reactivity. The number of reacted molecules calculated for CF3COOH reactions shows values two orders of magnitude higher than the corresponding to NO2 reactions, indicating a greater presence of basic functionalities in the soot surfaces. More information of the surface composition has been obtained using Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) before and after the reaction of soot samples with gas reactants. As conclusion, the interface of diesel and GTL soot before reaction mainly consists of polycyclic aromatic hydrocarbons (PAHs), nitro-compounds as well as ether functionalities. After reaction with gas reactant, it was observed that PAHs and nitro-compounds remain on the soot surface and new spectral bands such as carbonyl groups (carboxylic acids, aldehydes, esters and ketones) are observed. Physical properties of soot from both fuels studied such as BET surface isotherm and SEM analysis were also developed and related to the observed reactivity.

  8. Soot formation in a blast furnace - Prediction via a parametric study, using detailed kinetic modeling

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-31

    The objective of this work has been to investigate the soot formation in a blast furnace fired with heavy fuel oil, using detailed kinetic modelling. This work has been concentrated on parameter studies that could explain under which conditions soot is formed and how that formation could be avoided. The parameters investigated were temperature, pressure, stoichiometric ratio, pyrolysis gas composition and reactor model. The calculations were based on a reaction mechanism that consists of 100 species and 446 reactions including polyaromatic hydrocarbons (PAM) up to 7 aromatic rings SULA 2 Research Programme; 4 refs.

  9. Soot formation in a blast furnace - Prediction via a parametric study, using detailed kinetic modeling

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-12-31

    The objective of this work has been to investigate the soot formation in a blast furnace fired with heavy fuel oil, using detailed kinetic modelling. This work has been concentrated on parameter studies that could explain under which conditions soot is formed and how that formation could be avoided. The parameters investigated were temperature, pressure, stoichiometric ratio, pyrolysis gas composition and reactor model. The calculations were based on a reaction mechanism that consists of 100 species and 446 reactions including polyaromatic hydrocarbons (PAM) up to 7 aromatic rings SULA 2 Research Programme; 4 refs.

  10. A Reaction Database for Small Molecule Pharmaceutical Processes Integrated with Process Information

    DEFF Research Database (Denmark)

    Papadakis, Emmanouil; Anantpinijwatna, Amata; Woodley, John

    2017-01-01

    This article describes the development of a reaction database with the objective to collect data for multiphase reactions involved in small molecule pharmaceutical processes with a search engine to retrieve necessary data in investigations of reaction-separation schemes, such as the role of organic......; compounds participating in the reaction; use of organic solvents and their function; information for single step and multistep reactions; target products; reaction conditions and reaction data. Information for reactor scale-up together with information for the separation and other relevant information...

  11. Study of the (p,d3He) reaction as a quasi-free reaction process

    International Nuclear Information System (INIS)

    Cowley, A.A.; Roos, P.G.; Chant, N.S.; Woody, R. III; Holmgren, H.D.; Goldberg, D.A.

    1976-11-01

    The (p,d 3 He) reaction on 6 Li, 7 Li, 9 Be, and 12 C has been investigated in conjunction with studies of the (p,pα) reaction on the same targets. Coincident data for all four targets were obtained at a bombarding energy of 100 MeV for numerous angle pairs in order to test the reaction mechanism. Comparisons of the (p,d 3 He) data to both (p,pα) data and distorted wave impulse approximation calculations (DWIA) indicate a dominance of the direct quasi-free reaction process (p + alpha yields d + 3 He). The absolute alpha-particle spectroscopic factors extracted using DWIA analysis are in agreement with the values obtained in the (p,pα) reaction

  12. Investigation of black soot staining in houses

    Energy Technology Data Exchange (ETDEWEB)

    Fugler, D. [Canada Mortgage and Housing Corp., Ottawa, ON (Canada)

    2000-07-01

    Air quality investigators are frequently called upon to determine the origin of streaking, staining or soot marks in both new and old homes. Those marks display common characteristics: black marks along baseboards at interior or exterior walls, behind furniture and at doorways; black smudges on window frames and plastic cabinets; and even shadowing of studs on exterior wall drywall in a few cases. In most instances, carbon soot from a combustion source is the culprit. The combustion sources include furnaces, water heaters, fireplaces, gas dryers, gas ranges, smoking, vehicle exhaust and candle burning. Scepticism about candle soot is prevalent among callers. As a result, a study was initiated in homes where occupants burn candles regularly to investigate soot problems. Samples were collected from five homes, and included stained carpets, filters, and swab samples of black dust or soot. All the houses selected for the study had been built within a three-year period. Some samples of candles commonly burned in those homes were burnt in a laboratory. Air quality audits had been performed in the homes and had revealed other potential pollutant sources. Best practices for cost-effective clean up and control of soot were researched in industry information. The tests conducted in the laboratory found materials consistent with candle soot or residue during microscopic investigations, but no link was established with the stained material obtained from the homes. A few tips for homeowners were included concerning candle burning, and tips for builders were also offered. 1 tab.

  13. Effect of strain rate on sooting limits in counterflow diffusion flames of gaseous hydrocarbon fuels: Sooting temperature index and sooting sensitivity index

    KAUST Repository

    Wang, Yu

    2014-05-01

    The effect of the strain rate on the sooting limits in counterflow diffusion flames was investigated in various gaseous hydrocarbon fuels by varying the nitrogen dilution in the fuel and oxidizer streams. The sooting limit was defined as the critical fuel and oxygen mole fraction at which soot started to appear in the elastic light scattering signal. The sooting region for normal alkane fuels at a specified strain rate, in terms of the fuel and oxygen mole fraction, expanded as the number of carbon atoms increased. The alkene fuels (ethylene, propene) tested had a higher propensity for sooting as compared with alkane fuels with the same carbon numbers (ethane, propane). Branched iso-butane had a higher propensity for sooting than did n-butane. An increase in the strain rate reduced the tendency for sooting in all the fuels tested. The sensitivity of the sooting limit to the strain rate was more pronounced for less sooting fuels. When plotted in terms of calculated flame temperature, the critical oxygen mole fraction exhibited an Arrhenius form under sooting limit conditions, which can be utilized to significantly reduce the effort required to determine sooting limits at different strain rates. We found that the limiting temperatures of soot formation flames are viable sooting metrics for quantitatively rating the sooting tendency of various fuels, based on comparisons with threshold soot index and normalized smoke point data. We also introduce a sooting temperature index and a sooting sensitivity index, two quantitative measures to describe sooting propensity and its dependence on strain rate. © 2013 The Combustion Institute.

  14. Compositional effects on PAH and soot formation in counterflow diffusion flames of gasoline surrogate fuels

    KAUST Repository

    Park, Sungwoo

    2017-02-05

    Gasoline surrogate fuels are widely used to understand the fundamental combustion properties of complex refinery gasoline fuels. In this study, the compositional effects on polycyclic aromatic hydrocarbons (PAHs) and soot formation were investigated experimentally for gasoline surrogate mixtures comprising n-heptane, iso-octane, and toluene in counterflow diffusion flames. A comprehensive kinetic model for the gasoline surrogate mixtures was developed to accurately predict the fuel oxidation along with the formation of PAHs and soot in flames. This combined model was first tested against ignition delay times and laminar burning velocities data. The proposed model for the formation and growth of PAHs up to coronene (C24H12) was based on previous studies and was tested against existing and present new experimental data. Additionally, in the accompanied soot model, PAHs with sizes larger than (including) pyrene were used for the inception of soot particles, followed by particle coagulations and PAH condensation/chemical reactions on soot surfaces. The major pathways for the formation of PAHs were also identified for the surrogate mixtures. The model accurately captures the synergistic PAH formation characteristics observed experimentally for n-heptane/toluene and iso-octane/toluene binary mixtures. Furthermore, the present experimental and modeling results also elucidated different trends in the formation of larger PAHs and soot between binary n-heptane/iso-octane and ternary n-heptane/iso-octane/toluene mixtures. Propargyl radicals (C3H3) were shown to be important in the formation and growth of PAHs for n-heptane/iso-octane mixtures when the iso-octane concentration increased; however, reactions involving benzyl radicals (C6H5CH2) played a significant role in the formation of PAHs for n-heptane/iso-octane/toluene mixtures. These results indicated that the formation of PAHs and subsequently soot was strongly affected by the composition of gasoline surrogate mixtures.

  15. Compositional effects on PAH and soot formation in counterflow diffusion flames of gasoline surrogate fuels

    KAUST Repository

    Park, Sungwoo; Wang, Yu; Chung, Suk-Ho; Sarathy, Mani

    2017-01-01

    Gasoline surrogate fuels are widely used to understand the fundamental combustion properties of complex refinery gasoline fuels. In this study, the compositional effects on polycyclic aromatic hydrocarbons (PAHs) and soot formation were investigated experimentally for gasoline surrogate mixtures comprising n-heptane, iso-octane, and toluene in counterflow diffusion flames. A comprehensive kinetic model for the gasoline surrogate mixtures was developed to accurately predict the fuel oxidation along with the formation of PAHs and soot in flames. This combined model was first tested against ignition delay times and laminar burning velocities data. The proposed model for the formation and growth of PAHs up to coronene (C24H12) was based on previous studies and was tested against existing and present new experimental data. Additionally, in the accompanied soot model, PAHs with sizes larger than (including) pyrene were used for the inception of soot particles, followed by particle coagulations and PAH condensation/chemical reactions on soot surfaces. The major pathways for the formation of PAHs were also identified for the surrogate mixtures. The model accurately captures the synergistic PAH formation characteristics observed experimentally for n-heptane/toluene and iso-octane/toluene binary mixtures. Furthermore, the present experimental and modeling results also elucidated different trends in the formation of larger PAHs and soot between binary n-heptane/iso-octane and ternary n-heptane/iso-octane/toluene mixtures. Propargyl radicals (C3H3) were shown to be important in the formation and growth of PAHs for n-heptane/iso-octane mixtures when the iso-octane concentration increased; however, reactions involving benzyl radicals (C6H5CH2) played a significant role in the formation of PAHs for n-heptane/iso-octane/toluene mixtures. These results indicated that the formation of PAHs and subsequently soot was strongly affected by the composition of gasoline surrogate mixtures.

  16. Monte carlo simulation for soot dynamics

    KAUST Repository

    Zhou, Kun

    2012-01-01

    A new Monte Carlo method termed Comb-like frame Monte Carlo is developed to simulate the soot dynamics. Detailed stochastic error analysis is provided. Comb-like frame Monte Carlo is coupled with the gas phase solver Chemkin II to simulate soot formation in a 1-D premixed burner stabilized flame. The simulated soot number density, volume fraction, and particle size distribution all agree well with the measurement available in literature. The origin of the bimodal distribution of particle size distribution is revealed with quantitative proof.

  17. METHANE STEAM REACTION OVER NICKEL CATALYSTS IN THE HYNOL PROCESS

    Science.gov (United States)

    The report discusses the reaction of methane-steam over nickel catalysts in the Hynol process, a process that uses biomass and natural gas as feedstocks to maximize methanol yields and minimize greenhouse gas emissions. EPA's APPCD has established a laboratory in which to conduct...

  18. The impact of carbon dioxide and exhaust gas recirculation on the oxidative reactivity of soot from ethylene flames and diesel engines

    Science.gov (United States)

    Al-Qurashi, Khalid O.

    important factor governing the soot reactivity. In the third phase of this research, diesel soot was generated under 0 and 20% EGR using a four-cylinder, four-stroke, turbocharged common rail direct injection (DI) DDC diesel engine. The objective of this work was to examine the relevance of the single cylinder engine and flame studies to practical engine operation. The key engine parameters such as load, speed, and injection timing were kept constant to isolate the EGR effect on soot properties from any other engine effects. The thermokinetic analyses of the flame soot and engine soot showed a significant increase in soot oxidation rate as a result of the CO2 or EGR inclusion into the combustion process. The activation energy of soot oxidation was found to be independent of soot origin or formation history. The increase in soot oxidation rate is attributed solely to the increase in soot active sites, which are presented implicitly in the pre-exponential factor (A) of the oxidation rate equation. This latter statement was confirmed by measuring the initial active site area (ASA i) of all soot samples considered in this study. As expected, higher oxidation rates are associated with higher ASAi. The chemical properties of the soot were investigated to determine their effects upon soot reactivity. The results showed that the H/C and O/C ratios were not modified by CO2 or EGR addition. Therefore, these ratios are not reactivity parameters and their effects upon soot reactivity were ruled out. In distinct contrast, the physical properties of the soot were modified by the addition of CO2 or EGR. The interlayer spacing (d002) between the aromatic sheets increased, the crystallite width (La) decreased and the crystallite height (Lc) decreased as a consequence of CO 2 or EGR addition. The modified physical properties of the soot are responsible for the increased rate of soot oxidation. In order to examine the soot oxidation behavior in the DPF, the soot samples produced from the DDC

  19. Dynamics of very small soot particles during soot burnout in diesel engines; Dynamik kleinster Russteilchen waehrend der Russausbrandphase im Dieselmotor

    Energy Technology Data Exchange (ETDEWEB)

    Bockhorn, H. [Karlsruhe Univ. (T.H.) (Germany). Inst. fuer Chemische Technik; Peters, N. [RWTH Aachen (DE). Institut fuer Technische Mechanik (ITM); Pittermann, R. [WTZ fuer Motoren- und Maschinenforschung Rosslau gGmbH (Germany); Hentschel, J.; Weber, J.

    2003-07-01

    The investigations used advanced laser-optical methods for measuring soot particle size distributions, temporally and spectrally resolved measurements of engine combustion, measurements of composition and size distribution of particles in exhaust, and further development and validation of reaction-kinetic models. In all, it can be stated that mixing will affect not only soot particle formation but also soot particle emissions. Mixing can be influenced by using a fuel-water emulsion and by CR injection. Experiments and models both showed the advantageous effects of water added to the diesel fuels and of CR injection. The higher OH radical concentrations in the later combustion stages also serve to ensure faster oxidation of soot. (orig.) [German] Ziel des Projektes war es, Informationen ueber die Bildung und Oxidation von Russ sowie die Teilchendynamik der Russteilchen waehrend der Ausbrandphase zu erhalten. Dies wurde erreicht durch die Weiterentwicklung laseroptischer Methoden zur Bestimmung der Groessenverteilung von Russpartikeln, durch zeit- und spektral aufgeloeste Erfassung der motorischen Verbrennung, durch die Bestimmung von Zusammensetzung und Groessenverteilung von Partikeln im Abgas sowie durch die Weiterentwicklung und Validierung von reaktionskinetischen Modellen. Zusammenfassend laesst sich sagen, dass sich die Gemischbildung im Dieselmotor nicht nur auf die Bildung der Russpartikel sondern auch auf die Russpartikelemission auswirkt. Die Verwendung einer Kraftstoff-Wasser-Emulsion und die Common-Rail-Einspritzung stellen zwei Verfahren zur Beeinflussung der Gemischbildung dar. Sowohl die experimentellen Untersuchungen als auch die Modellierung zeigen den die Gemischbildung foerdernden Einfluss des Zusatzes von Wasser zum Dieselbrennstoff. Ein erhoehter Anteil an vorgemischter Verbrennung, wie er auch durch die Verwendung hoher Einspritzdruecke bei der Common-Rail-Einspritzung erreicht werden kann, verringert die waehrend der Verbrennung entstehende

  20. Soot Formation In Turbulent Combusting Flows

    National Research Council Canada - National Science Library

    Santoro, Robert

    1998-01-01

    .... Laser-based techniques were used to measure the soot volume fraction, particle size and number density as well as the temperature and relative concentration of hydroxyl radicals and polycyclic aromatic hydrocarbons...

  1. Method for removing soot from exhaust gases

    Science.gov (United States)

    Suib, Steven L.; Dharmarathna, D. A. Saminda; Pahalagedara, Lakshitha R.

    2018-01-16

    A method for oxidizing soot from diesel exhaust gas from a diesel engine. The method involves providing a diesel particulate filter for receiving the diesel exhaust gas; coating a catalyst composition on the diesel particulate filter; and contacting the soot from the diesel exhaust gas with the catalyst coated diesel particulate filter at a temperature sufficient to oxidize the soot to carbon dioxide. The catalyst composition is a doped or undoped manganese oxide octahedral molecular sieve (OMS-2) material. A diesel exhaust gas treatment system that includes a diesel particulate filter for receiving diesel exhaust gas from a diesel engine and collecting soot; and a catalyst composition coated on the diesel particulate filter. The catalyst composition is a doped or undoped manganese oxide octahedral molecular sieve (OMS-2).

  2. Electrometric aviation soot monitor, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose to develop a highly sensitive and portable device to monitor soot particle mass distribution from aircraft engine exhaust. The proposed method is based on...

  3. The effect of ethanol blending on mixture formation, combustion and soot emission studied in an optical DISI engine

    International Nuclear Information System (INIS)

    Storch, Michael; Hinrichsen, Florian; Wensing, Michael; Will, Stefan; Zigan, Lars

    2015-01-01

    Highlights: • Catalyst heating points were analyzed using optical measurement techniques. • E20 shows stronger soot radiation and higher soot concentration as isooctane. • Different mixing formation of isooctane and E20 was determined. • Strong mixture stratification was identified for both fuels. • Remaining droplets and fuel rich regions are the main source for soot formation. - Abstract: In various research studies, ethanol blended fuels have shown reduced particulate matter (PM) emissions in comparison to gasoline and its surrogate fuels in direct-injection spark-ignition (DISI) engines. However, there are also studies reporting increased particulate concentration for fuels with low ethanol content. In this work the mixture formation and sooting combustion behavior of isooctane and the mixture E20 (20 vol% of ethanol in isooctane) is analyzed for catalyst heating operation. These operating conditions are critical as they strongly contribute to overall soot emissions in driving cycles. Simultaneous high speed imaging of OH ∗ –chemiluminescence and natural soot luminosity measurements are performed in combination with primary particle concentration measurements using a laser induced incandescence (LII) sensor in the engine exhaust duct. At these operating conditions E20 exhibits a higher sooting tendency as compared to isooctane. In order to identify the reason for increased soot formation, the mixture formation process is analyzed by planar laser induced fluorescence (LIF) measurements. The results show that soot was formed in fuel rich regions with incomplete evaporated fuel droplets remaining from the injection event. A different evaporation process of E20 fuel spray and mixing behavior is indicated showing a more compact rich mixture cloud with surrounding lean areas near the spark plug region. This mixture stratification is characterized by higher cyclic variations and constitutes a significant source of soot formation

  4. Effects of ambient oxygen concentration on soot temperature and concentration for biodiesel and diesel spray combustion

    KAUST Repository

    Zhang, Ji

    2015-06-01

    Ambient oxygen concentration, a key variable directly related to exhaust gas recirculation (EGR) levels in diesel engines, plays a significant role in particulate matter (PM) and nitrogen oxides (NOx) emissions. The utilization of biodiesel in diesel engines has been investigated over the last decades for its renewable characteristics and lower emissions compared to diesel. In an earlier work, we demonstrated that the soot temperature and concentration of biodiesel were lower than diesel under regular diesel engine conditions without EGR. Soot concentration was quantified by a parameter called KL factor. As a continuous effort, this paper presents an experimental investigation of the ambient oxygen concentration on soot temperature and KL factor during biodiesel and diesel spray combustion. The experiment was implemented in a constant volume chamber system, where the ambient oxygen concentration varied from 21 to 10% and the ambient temperature was kept to 1,000 K. A high speed two-color pyrometry technique was used to measure transient soot temperature and the KL factor of the spray flame. The soot temperature of biodiesel is found to be lower than that of diesel under the same conditions, which follows the same trend from our previous results found when the ambient temperature changes to 21% oxygen conditions. A reduction in ambient oxygen concentration generally reduces the soot temperature for both fuels. However, this is a complicated effect on soot processes as the change of oxygen concentration greatly affects the balance between soot formation and oxidation. The KL factor is observed to be the highest at 12% O2 for diesel and 18% O2 for biodiesel, respectively. On the other hand, the 10% O2 condition shows the lowest KL factor for both fuels. These results can provide quantitative experimental evidences to optimize the ambient oxygen concentration for diesel engines using different fuels for better emissions characteristics. © 2014 American Society of

  5. Influence of thermal radiation on soot production in Laminar axisymmetric diffusion flames

    International Nuclear Information System (INIS)

    Demarco, R.; Nmira, F.; Consalvi, J.L.

    2013-01-01

    The aim of this paper is to study the effect of radiative heat transfer on soot production in laminar axisymmetric diffusion flames. Twenty-four C 1 –C 3 hydrocarbon–air flames, consisting of normal (NDF) and inverse (IDF) diffusion flames at both normal gravity (1 g) and microgravity (0 g), and covering a wide range of conditions affecting radiative heat transfer, were simulated. The numerical model is based on the Steady Laminar Flamelet (SLF) model, a semi-empirical two-equation acetylene/benzene based soot model and the Statistical Narrow Band Correlated K (SNBCK) model coupled to the Finite Volume Method (FVM) to compute thermal radiation. Predictions relative to velocity, temperature, soot volume fraction and radiative losses are on the whole in good agreement with the available experimental data. Model results show that, for all the flames considered, thermal radiation is a crucial process with a view to providing accurate predictions for temperatures and soot concentrations. It becomes increasingly significant from IDFs to NDFs and its influence is much greater as gravity is reduced. The radiative contribution of gas prevails in the weakly-sooting IDFs and in the methane and ethane NDFs, whereas soot radiation dominates in the other flames. However, both contributions are significant in all cases, with the exception of the 1 g IDFs investigated where soot radiation can be ignored. The optically-thin approximation (OTA) was also tested and found to be applicable as long as the optical thickness, based on flame radius and Planck mean absorption coefficient, is less than 0.05. The OTA is reasonable for the IDFs and for most of the 1 g NDFs, but it fails to predict the radiative heat transfer for the 0 g NDFs. The accuracy of radiative-property models was then assessed in the latter cases. Simulations show that the gray approximation can be applied to soot but not to combustion gases. Both the non-gray and gray soot versions of the Full Spectrum Correlated

  6. Diesel soot oxidation under controlled conditions

    OpenAIRE

    Song, Haiwen

    2003-01-01

    This thesis was submitted for the degree of Doctor of Philosophy and awarded by Brunel University, 11/12/2003. In order to improve understanding of diesel soot oxidation, an experimental rig was designed and set up, in which the soot oxidation conditions, such as temperature, oxygen partial pressure, and CO2 partial pressure, could be varied independently of each other. The oxidizing gas flow in the oxidizer was under laminar condition. This test rig comprised a naturally-aspirated single ...

  7. Sooting limit in counterflow diffusion flames of ethylene/propane fuels and implication to threshold soot index

    KAUST Repository

    Joo, Peter H.

    2013-01-01

    Sooting limits in counterflow diffusion flames of propane/ethylene fuels have been studied experimentally using a light scattering technique, including the effects of dilution, fuel mixing, and strain rate. The results are discussed in view of the threshold soot index (TSI). In soot-formation (SF) flames, where the flame is located on the oxidizer side of the stagnation plane, the sooting limit depends critically on fuel type and subsequently on flame temperature. The sooting limit has a non-linear dependence on the fuel-mixing ratio, which is similar to the non-linear mixing rule for TSI observed experimentally in rich premixed flames, where soot oxidation is absent for both SF and rich premixed flames. In soot-formation-oxidation (SFO) flames, where the flame is located on the fuel side, the sooting limit depends critically on flame temperature, while it is relatively independent on fuel type. This result suggests a linear mixing rule for sooting limits in SFO flames, which is similar to the TSI behavior for coflow diffusion flames. Soot oxidation takes place for both types of flames. The aerodynamic strain effect on the sooting limits has also been studied and an appreciable influence has been observed. Under sooting conditions, soot volume fraction was measured using a light extinction technique. The soot loadings in SF flames of the mixture fuels demonstrated a synergistic effect, i.e., soot production increased for certain mixture fuels as compared to the respective singlecomponent fuels. © 2012 The Combustion Institute.

  8. A multi-probe thermophoretic soot sampling system for high-pressure diffusion flames

    Energy Technology Data Exchange (ETDEWEB)

    Vargas, Alex M.; Gülder, Ömer L. [Institute for Aerospace Studies, University of Toronto, Toronto, Ontario M3H 5T6 (Canada)

    2016-05-15

    Optical diagnostics and physical probing of the soot processes in high pressure combustion pose challenges that are not faced in atmospheric flames. One of the preferred methods of studying soot in atmospheric flames is in situ thermophoretic sampling followed by transmission electron microscopy imaging and analysis for soot sizing and morphology. The application of this method of sampling to high pressures has been held back by various operational and mechanical problems. In this work, we describe a rotating disk multi-probe thermophoretic soot sampling system, driven by a microstepping stepper motor, fitted into a high-pressure chamber capable of producing sooting laminar diffusion flames up to 100 atm. Innovative aspects of the sampling system design include an easy and precise control of the sampling time down to 2.6 ms, avoidance of the drawbacks of the pneumatic drivers used in conventional thermophoretic sampling systems, and the capability to collect ten consecutive samples in a single experimental run. Proof of principle experiments were performed using this system in a laminar diffusion flame of methane, and primary soot diameter distributions at various pressures up to 10 atm were determined. High-speed images of the flame during thermophoretic sampling were recorded to assess the influence of probe intrusion on the flow field of the flame.

  9. Diffusion air effects on the soot axial distribution concentration in a premixed acetylene/air flame

    Energy Technology Data Exchange (ETDEWEB)

    Fassani, Fabio Luis; Santos, Alex Alisson Bandeira; Goldstein Junior, Leonardo [Universidade Estadual de Campinas, SP (Brazil). Faculdade de Engenharia Mecanica. Dept. de Engenharia Termica e de Fluidos]. E-mails: fassani@fem.unicamp.br; absantos@fem.unicamp.br; leonardo@fem.unicamp.br; Ferrari, Carlos Alberto [Universidade Estadual de Campinas, SP (Brazil). Inst. de Fisica. Dept. de Eletronica Quantica]. E-mail: ferrari@ifi.unicamp.br

    2000-07-01

    Soot particles are produced during the high temperature pyrolysis or combustion of hydrocarbons. The emission of soot from a combustor, or from a flame, is determined by the competition between soot formation and its oxidation. Several factors affect these processes, including the type of fuel, the air-to-fuel ratio, flame temperature, pressure, and flow pattern. In this paper, the influence of the induced air diffusion on the soot axial distribution concentration in a premixed acetylene/air flame was studied. The flame was generated in a vertical axis burner in which the fuel - oxidant mixture flow was surrounded by a nitrogen discharge coming from the annular region between the burner tube and an external concentric tube. The nitrogen flow provided a shield that protected the flame from the diffusion of external air, enabling its control. The burner was mounted on a step-motor driven, vertical translation table. The use of several air-to-fuel ratios made possible to establish the sooting characteristics of this flame, by measuring soot concentration along the flame height with a non-intrusive laser light absorption technique. (author)

  10. A Reaction Database for Small Molecule Pharmaceutical Processes Integrated with Process Information

    Directory of Open Access Journals (Sweden)

    Emmanouil Papadakis

    2017-10-01

    Full Text Available This article describes the development of a reaction database with the objective to collect data for multiphase reactions involved in small molecule pharmaceutical processes with a search engine to retrieve necessary data in investigations of reaction-separation schemes, such as the role of organic solvents in reaction performance improvement. The focus of this reaction database is to provide a data rich environment with process information available to assist during the early stage synthesis of pharmaceutical products. The database is structured in terms of reaction classification of reaction types; compounds participating in the reaction; use of organic solvents and their function; information for single step and multistep reactions; target products; reaction conditions and reaction data. Information for reactor scale-up together with information for the separation and other relevant information for each reaction and reference are also available in the database. Additionally, the retrieved information obtained from the database can be evaluated in terms of sustainability using well-known “green” metrics published in the scientific literature. The application of the database is illustrated through the synthesis of ibuprofen, for which data on different reaction pathways have been retrieved from the database and compared using “green” chemistry metrics.

  11. NATO Workshop on Soot in Combustion Systems

    CERN Document Server

    Prado, G

    1983-01-01

    Our interest in Mulhouse for carbon black and soot began some 30 years ago when J.B. Donnet developed the concept of surface chemistry of carbon and its involvement in interactions with gas, liquid and solid phases. In the late sixties, we began to study soot formation in pyrolytic systems and later on in flames. The idea of organ1z1ng a meeting on soot formation originated some four or five years ago, through discussions among Professor J.B. Howard, Dr. A. D'Alessio and ourselves. At that time the scientific community was becoming aware of the necessity to strictly control soot formation and emission. Being involved in the study of surface properties of carbon black as well as of formation of soot, we realized that the combustion community was not always fully aware of the progress made by the physical-chemists on carbon black. Reciprocally, the carbon specialists were often ignoring the research carried out on soot in flames. One objective of this workshop was to stimulate discussions between these two scie...

  12. The heterogeneous interaction of trace gases on mineral dust and soot: kinetics and mechanism

    OpenAIRE

    Karagulian, Federico; Rossi, Michel

    2007-01-01

    The present thesis work deals with the investigation of the heterogeneous reactions involving nitrate radical (NO3), dinitrogen pentoxide (N2O5) and ozone (O3) on surrogates of atmospheric mineral dust particles characteristic of the troposphere. An additional investigation of heterogeneous reaction of NO3 on flame soot was carried out. The goal is to characterize the kinetics (the uptake coefficient γ) as well as the reaction products. The obtained results are intended to provide reliable da...

  13. Dynamics of flow–soot interaction in wrinkled non-premixed ethylene–air flames

    KAUST Repository

    Arias, Paul G.; Lecoustre, Vivien R.; Roy, Somesh; Luo, Zhaoyu; Haworth, Daniel C.; Lu, Tianfeng; Trouvé , Arnaud; Im, Hong G.

    2015-01-01

    A two-dimensional simulation of a non-premixed ethylene–air flame was conducted by employing a detailed gas-phase reaction mechanism considering polycyclic aromatic hydrocarbons, an aerosol-dynamics-based soot model using a method of moments

  14. Single Particle Soot Photometer intercomparison at the AIDA chamber

    Directory of Open Access Journals (Sweden)

    M. Laborde

    2012-12-01

    Full Text Available Soot particles, consisting of black carbon (BC, organic carbon (OC, inorganic salts, and trace elements, are emitted into the atmosphere during incomplete combustion. Accurate measurements of atmospheric BC are important as BC particles cause adverse health effects and impact the climate.

    Unfortunately, the accurate measurement of the properties and mass concentrations of BC particles remains difficult. The Single Particle Soot Photometer (SP2 can contribute to improving this situation by measuring the mass of refractory BC in individual particles as well as its mixing state.

    Here, the results of the first detailed SP2 intercomparison, involving 6 SP2s from 6 different research groups, are presented, including the most evolved data products that can presently be calculated from SP2 measurements.

    It was shown that a detection efficiency of almost 100% down to 1 fg BC per particle can readily be achieved, and that this limit can be pushed down to ∼0.2 fg BC with optimal SP2 setup. Number and mass size distributions of BC cores agreed within ±5% and ±10%, respectively, in between the SP2s, with larger deviations in the range below 1 fg BC.

    The accuracy of the SP2's mass concentration measurement depends on the calibration material chosen. The SP2 has previously been shown to be equally sensitive to fullerene soot and ambient BC from sources where fossil fuel was dominant and less sensitive to fullerene soot than to Aquadag. Fullerene soot was therefore chosen as the standard calibration material by the SP2 user community; however, many data sets rely solely on Aquadag calibration measurements. The difference in SP2 sensitivity was found to be almost equal (fullerene soot to Aquadag response ratio of ∼0.75 at 8.9 fg BC for all SP2s. This allows the calculation of a fullerene soot equivalent calibration curve from a measured Aquadag calibration, when no fullerene soot calibration is available. It could be

  15. Feynman-Kac equations for reaction and diffusion processes

    Science.gov (United States)

    Hou, Ru; Deng, Weihua

    2018-04-01

    This paper provides a theoretical framework for deriving the forward and backward Feynman-Kac equations for the distribution of functionals of the path of a particle undergoing both diffusion and reaction processes. Once given the diffusion type and reaction rate, a specific forward or backward Feynman-Kac equation can be obtained. The results in this paper include those for normal/anomalous diffusions and reactions with linear/nonlinear rates. Using the derived equations, we apply our findings to compute some physical (experimentally measurable) statistics, including the occupation time in half-space, the first passage time, and the occupation time in half-interval with an absorbing or reflecting boundary, for the physical system with anomalous diffusion and spontaneous evanescence.

  16. Maillard reaction versus other nonenzymatic modifications in neurodegenerative processes.

    Science.gov (United States)

    Pamplona, Reinald; Ilieva, Ekaterina; Ayala, Victoria; Bellmunt, Maria Josep; Cacabelos, Daniel; Dalfo, Esther; Ferrer, Isidre; Portero-Otin, Manuel

    2008-04-01

    Nonenzymatic protein modifications are generated from direct oxidation of amino acid side chains and from reaction of the nucleophilic side chains of specific amino acids with reactive carbonyl species. These reactions give rise to specific markers that have been analyzed in different neurodegenerative diseases sharing protein aggregation, such as Alzheimer's disease, Pick's disease, Parkinson's disease, dementia with Lewy bodies, Creutzfeldt-Jakob disease, and amyotrophic lateral sclerosis. Collectively, available data demonstrate that oxidative stress homeostasis, mitochondrial function, and energy metabolism are key factors in determining the disease-specific pattern of protein molecular damage. In addition, these findings suggest the lack of a "gold marker of oxidative stress," and, consequently, they strengthen the need for a molecular dissection of the nonenzymatic reactions underlying neurodegenerative processes.

  17. Process for carrying out analyses based on concurrent reactions

    Energy Technology Data Exchange (ETDEWEB)

    Glover, J S; Shepherd, B P

    1980-01-03

    The invention refers to a process for carrying out analyses based on concurrent reactions. A part of a compound to be analysed is subjected with a standard quantity of this compound in a labelled form to a common reaction with a standard quantity of a reagent, which must be less than the sum of the two parts of the reacting compound. The parts of the marked reaction compound and the labelled final compound resulting from the concurrence are separated in a tube (e.g. by centrifuging) after forced phase change (precipitation, absorption etc.) and the radio-activity of both phases in contact is measured separately. The shielded measuring device developed for this and suitable for centrifuge tubes of known dimensions is also included in the patent claims. The insulin concentration of a defined serum is measured as an example of the applications of the method (Radioimmunoassay).

  18. Investigation of soot morphology and particle size distrib ution in a turbulent nonpremixed flame via Monte Carlo simulations

    KAUST Repository

    Abdelgadir, Ahmed; Lucchesi, Marco; Attili, Antonio; Bisetti, Fabrizio

    2015-01-01

    the soot evolution along selected Lagrangian trajectories using a Monte Carlo method. An operator splitting approach is adopted to split the deterministic processes (nucleation, surface growth and oxidation) from coagulation, which is treated stochastically

  19. Structural effects on the oxidation of soot particles by O2: Experimental and theoretical study

    KAUST Repository

    Raj, Abhijeet

    2013-09-01

    Soot particles are composed of polycyclic aromatic hydrocarbons (PAHs), which have either planar or curved structures. The oxidation behaviors of soot particles differ depending on their structures, arrangement of PAHs, and the type of surface functional groups. The oxidation rate of curved PAHs in soot is thought to be higher than that of planar ones. To understand the role that PAH structure plays in soot reactivity towards O2, experimental studies are conducted on two types of commercially produced soot, Printex-U and Fullerene soot, using high resolution transmission electron microscopy, electron energy loss spectroscopy, thermo-gravimetric analysis and elemental analysis. The relative concentrations of active sites, oxygenated functional groups, aliphatics and aromatics present in soots are evaluated. The activation energies for soot oxidation at different conversion levels are determined. The average activation energies of the two soots are found to differ by 26kJ/mol. To understand the reason for this difference, quantum calculations using density functional (B3LYP) and Hartree-Fock theories are conducted to study the reaction pathways of the oxidation by O2 of planar and curved PAHs using 4-pyrenyl and 1-corannulenyl as their model molecules, respectively. The energetically preferred channels for curved PAH oxidation differ from the planar one. The addition of O2 on a radical site of a six-membered ring to form a peroxyl radical is found to be barrierless for both the model PAHs. For peroxyl decomposition, three pathways are suggested, each of which involve the activation energies of 108, 170 and 121kJ/mol to form stable molecules in the case of planar PAH, and 94, 155 and 125kJ/mol in the case of curved PAH. During the oxidation of a five-membered ring, to form stable molecules, the activation energies of 90kJ/mol for the curved PAH and 169kJ/mol for the planar PAH relative to the energy of the peroxyl radical are required. The low activation barriers of

  20. Research progress on trifluoromethyl-based radical reaction process

    Science.gov (United States)

    Song, Hao

    2017-12-01

    Due to the unique properties imparted by the trifluoromethyl group, such as high electron density and strong lipotropy, which effectively improve acidity, lipophilicity and metabolic stability of the molecule itself, trifluoromethyl-substituted organic compounds are becoming increasingly important as structural motifs in pharmaceuticals, agrochemicals and organic materials. In this review, we present several methods developed for the direct introduction of a trifluoromethyl group, beginning with its rich and storied history. Then the present article addresses mechanism and process in carbon-carbon bond forming reaction based on radical process which is divided into three parts according to the way of CF3 radical generation. Finally, challenges and opportunities of researches on trifluoromethylation reactions facing are prospected.

  1. System and process for pulsed multiple reaction monitoring

    Science.gov (United States)

    Belov, Mikhail E

    2013-05-17

    A new pulsed multiple reaction monitoring process and system are disclosed that uses a pulsed ion injection mode for use in conjunction with triple-quadrupole instruments. The pulsed injection mode approach reduces background ion noise at the detector, increases amplitude of the ion signal, and includes a unity duty cycle that provides a significant sensitivity increase for reliable quantitation of proteins/peptides present at attomole levels in highly complex biological mixtures.

  2. Numerical Investigation of Soot Formation in Non-premixed Flames

    KAUST Repository

    Abdelgadir, Ahmed Gamaleldin

    2017-01-01

    Soot is a carbon particulate formed as a result of the combustion of fossil fuels. Due to the health hazard posed by the carbon particulate, government agencies have applied strict regulations to control soot emissions from road vehicles, airplanes

  3. Sorption enhanced reaction process (SERP) for the production of hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Hufton, J.; Mayorga, S.; Gaffney, T.; Nataraj, S.; Rao, M.; Sircar, S. [Air Products and Chemicals, Inc., Allentown, PA (United States)

    1998-08-01

    The novel Sorption Enhanced Reaction Process has the potential to decrease the cost of hydrogen production by steam methane reforming. Current effort for development of this technology has focused on adsorbent development, experimental process concept testing, and process development and design. A preferred CO{sub 2} adsorbent, K{sub 2}CO{sub 3} promoted hydrotalcite, satisfies all of the performance targets and it has been scaled up for process testing. A separate class of adsorbents has been identified which could potentially improve the performance of the H{sub 2}-SER process. Although this material exhibits improved CO{sub 2} adsorption capacity compared to the HTC adsorbent, its hydrothermal stability must be improved. Single-step process experiments (not cyclic) indicate that the H{sub 2}-SER reactor performance during the reaction step improves with decreasing pressure and increasing temperature and steam to methane ratio in the feed. Methane conversion in the H{sub 2}-SER reactor is higher than for a conventional catalyst-only reactor operated at similar temperature and pressure. The reactor effluent gas consists of 90+% H{sub 2}, balance CH{sub 4}, with only trace levels (< 50 ppm) of carbon oxides. A best-case process design (2.5 MMSCFD of 99.9+% H{sub 2}) based on the HTC adsorbent properties and a revised SER process cycle has been generated. Economic analysis of this design indicates the process has the potential to reduce the H{sub 2} product cost by 25--31% compared to conventional steam methane reforming.

  4. Visual Motion Processing Subserves Faster Visuomotor Reaction in Badminton Players.

    Science.gov (United States)

    Hülsdünker, Thorben; Strüder, Heiko K; Mierau, Andreas

    2017-06-01

    Athletes participating in ball or racquet sports have to respond to visual stimuli under critical time pressure. Previous studies used visual contrast stimuli to determine visual perception and visuomotor reaction in athletes and nonathletes; however, ball and racquet sports are characterized by motion rather than contrast visual cues. Because visual contrast and motion signals are processed in different cortical regions, this study aimed to determine differences in perception and processing of visual motion between athletes and nonathletes. Twenty-five skilled badminton players and 28 age-matched nonathletic controls participated in this study. Using a 64-channel EEG system, we investigated visual motion perception/processing in the motion-sensitive middle temporal (MT) cortical area in response to radial motion of different velocities. In a simple visuomotor reaction task, visuomotor transformation in Brodmann area 6 (BA6) and BA4 as well as muscular activation (EMG onset) and visuomotor reaction time (VMRT) were investigated. Stimulus- and response-locked potentials were determined to differentiate between perceptual and motor-related processes. As compared with nonathletes, athletes showed earlier EMG onset times (217 vs 178 ms, P < 0.001), accompanied by a faster VMRT (274 vs 243 ms, P < 0.001). Furthermore, athletes showed an earlier stimulus-locked peak activation of MT (200 vs 182 ms, P = 0.002) and BA6 (161 vs 137 ms, P = 0.009). Response-locked peak activation in MT was later in athletes (-7 vs 26 ms, P < 0.001), whereas no group differences were observed in BA6 and BA4. Multiple regression analyses with stimulus- and response-locked cortical potentials predicted EMG onset (r = 0.83) and VMRT (r = 0.77). The athletes' superior visuomotor performance in response to visual motion is primarily related to visual perception and, to a minor degree, to motor-related processes.

  5. The effect of soot on ammonium nitrate species and NO2 selective catalytic reduction over Cu-zeolite catalyst-coated particulate filter.

    Science.gov (United States)

    Mihai, Oana; Tamm, Stefanie; Stenfeldt, Marie; Olsson, Louise

    2016-02-28

    A selective catalytic reduction (SCR)-coated particulate filter was evaluated by means of dynamic tests performed using NH3, NO2, O2 and H2O. The reactions were examined both prior to and after soot removal in order to study the effect of soot on ammonium nitrate formation and decomposition, ammonia storage and NO2 SCR. A slightly larger ammonia storage capacity was observed when soot was present in the sample, which indicated that small amounts of ammonia can adsorb on the soot. Feeding of NO2 and NH3 in the presence of O2 and H2O at low temperature (150, 175 and 200°C) leads to a large formation of ammonium nitrate species and during the subsequent temperature ramp using H2O and argon, a production of nitrous oxides was observed. The N2O formation is often related to ammonium nitrate decomposition, and our results showed that the N2O formation was clearly decreased by the presence of soot. We therefore propose that in the presence of soot, there are fewer ammonium nitrate species on the surface due to the interactions with the soot. Indeed, we do observe CO2 production during the reaction conditions also at 150°C, which shows that there is a reaction with these species and soot. In addition, the conversion of NOx due to NO2 SCR was significantly enhanced in the presence of soot; we attribute this to the smaller amount of ammonium nitrate species present in the experiments where soot is available since it is well known that ammonium nitrate formation is a major problem at low temperature due to the blocking of the catalytic sites. Further, a scanning electron microscopy analysis of the soot particles shows that they are about 30-40 nm and are therefore too large to enter the pores of the zeolites. There are likely CuxOy or other copper species available on the outside of the zeolite crystallites, which could have been enhanced due to the hydrothermal treatment at 850°C of the SCR-coated filter prior to the soot loading. We therefore propose that soot is

  6. Particulate matter emission modelling based on soot and SOF from direct injection diesel engines

    International Nuclear Information System (INIS)

    Tan, P.Q.; Hu, Z.Y.; Deng, K.Y.; Lu, J.X.; Lou, D.M.; Wan, G.

    2007-01-01

    Particulate matter (PM) emission is one of the major pollutants from diesel engines, and it is harmful for human health and influences the atmospheric visibility. In investigations for reducing PM emission, a simulation model for PM emission is a useful tool. In this paper, a phenomenological, composition based PM model of direct injection (DI) diesel engines has been proposed and formulated to simulate PM emission. The PM emission model is based on a quasi-dimensional multi-zone combustion model using the formation mechanisms of the two main compositions of PM: soot and soluble organic fraction (SOF). First, the quasi-dimensional multi-zone combustion model is given. Then, two models for soot and SOF emissions are established, respectively, and after that, the two models are integrated into a single PM emission model. The soot emission model is given by the difference between a primary formation model and an oxidation model of soot. The soot primary formation model is the Hiroyasu soot formation model, and the Nagle and Strickland-Constable model is adopted for soot oxidation. The SOF emission model is based on an unburned hydrocarbons (HC) emission model, and the HC emission model is given by the difference between a HC primary formation model and a HC oxidation model. The HC primary formation model considers fuel injected and mixed beyond the lean combustion limit during ignition delay and fuel effusing from the nozzle sac volume at low pressure and low velocity. In order to validate the PM emission model, experiments were performed on a six cylinder, turbocharged and intercooled DI diesel engine. The simulation results show good agreement with the experimental data, which indicates the validity of the PM emission model. The calculation results show that the distinctions between PM and soot formation rates are mainly in the early combustion stage. The SOF formation has an important influence on the PM formation at lower loads, and soot formation dominates the

  7. Soot and Spectral Radiation Modeling in ECN Spray A and in Engines

    Energy Technology Data Exchange (ETDEWEB)

    Haworth, Daniel C [Pennsylvania State Univ., University Park, PA (United States); Ferreyro-Fernandez, Sebastian [Pennsylvania State Univ., University Park, PA (United States); Paul, Chandan [Pennsylvania State Univ., University Park, PA (United States); Sircar, Arpan [Pennsylvania State Univ., University Park, PA (United States); Imren, Abdurrahman [Pennsylvania State Univ., University Park, PA (United States); Roy, Somesh P [Marquette University (United States); Modest, Michael F [University of California Merced (United States); Ge, Wenjun [University of California Merced (United States)

    2017-04-03

    The amount of soot formed in a turbulent combustion system is determined by a complex system of coupled nonlinear chemical and physical processes. Different physical subprocesses can dominate, depending on the hydrodynamic and thermochemical environments. Similarly, the relative importance of reabsorption, spectral radiation properties, and molecular gas radiation versus soot radiation varies with thermochemical conditions, and in ways that are difficult to predict for the highly nonhomogeneous in-cylinder mixtures in engines. Here it is shown that transport and mixing play relatively more important roles as rate-determining processes in soot formation at engine-relevant conditions. It is also shown that molecular gas radiation and spectral radiation properties are important for engine-relevant conditions.

  8. Oxidation of diesel soot on binary oxide CuCr(Co)-based monoliths.

    Science.gov (United States)

    Soloviev, Sergiy O; Kapran, Andriy Y; Kurylets, Yaroslava P

    2015-02-01

    Binary oxide systems (CuCr2O4, CuCo2O4), deposited onto cordierite monoliths of honeycomb structure with a second support (finely dispersed Al2O3), were prepared as filters for catalytic combustion of diesel soot using internal combustion engine's gas exhausts (O2, NOx, H2O, CO2) and O3 as oxidizing agents. It is shown that the second support increases soot capacity of aforementioned filters, and causes dispersion of the particles of spinel phases as active components enhancing thereby catalyst activity and selectivity of soot combustion to CO2. Oxidants used can be arranged with reference to decreasing their activity in a following series: O3≫NO2>H2O>NO>O2>CO2. Ozone proved to be the most efficient oxidizing agent: the diesel soot combustion by O3 occurs intensively (in the presence of copper chromite based catalyst) even at closing to ambient temperatures. Results obtained give a basis for the conclusion that using a catalytic coating on soot filters in the form of aforementioned binary oxide systems and ozone as the initiator of the oxidation processes is a promising approach in solving the problem of comprehensive purification of automotive exhaust gases at relatively low temperatures, known as the "cold start" problem. Copyright © 2014. Published by Elsevier B.V.

  9. Potential Applications of Zeolite Membranes in Reaction Coupling Separation Processes

    Directory of Open Access Journals (Sweden)

    Tunde V. Ojumu

    2012-10-01

    Full Text Available Future production of chemicals (e.g., fine and specialty chemicals in industry is faced with the challenge of limited material and energy resources. However, process intensification might play a significant role in alleviating this problem. A vision of process intensification through multifunctional reactors has stimulated research on membrane-based reactive separation processes, in which membrane separation and catalytic reaction occur simultaneously in one unit. These processes are rather attractive applications because they are potentially compact, less capital intensive, and have lower processing costs than traditional processes. Therefore this review discusses the progress and potential applications that have occurred in the field of zeolite membrane reactors during the last few years. The aim of this article is to update researchers in the field of process intensification and also provoke their thoughts on further research efforts to explore and exploit the potential applications of zeolite membrane reactors in industry. Further evaluation of this technology for industrial acceptability is essential in this regard. Therefore, studies such as techno-economical feasibility, optimization and scale-up are of the utmost importance.

  10. External boundary effects on simultaneous diffusion and reaction processes

    International Nuclear Information System (INIS)

    Le Roux, M.N.; Wilhelmsson, H.

    1989-01-01

    External boundaries influence the spatial and temporal structure of evolution of dynamic systems governed by reaction-diffusion equations. Critical limits, i.e. thresholds for explosive growth or onset of diffusion dominated decay, are found to be caused by the presence of the boundary and to depend on: the position of the boundary, where the density is assumed to be zero at any instant of time: the mutual weights (coefficients) and powers of the nonlinear reaction and diffusion processes; and the initial spatial distribution. However, for particular relations between the nonlinear powers of the reaction and diffusion terms the critical limits do not depend on the initial conditions. The results are obtained by simulation experiment for one, two and three dimensions. Trends in the dynamic evolution of the system with an external boundary imposed are compared with the corresponding analytic results obtained for free boundary. Interesting applications are found in various areas, e.g. in the field of high temperature fusion plasma where the evolution of the temperature profile for the so-called H-mode (constant plasma density) is described

  11. Influence of thermal radiation on soot production in Laminar axisymmetric diffusion flames

    Science.gov (United States)

    Demarco, R.; Nmira, F.; Consalvi, J. L.

    2013-05-01

    The aim of this paper is to study the effect of radiative heat transfer on soot production in laminar axisymmetric diffusion flames. Twenty-four C1-C3 hydrocarbon-air flames, consisting of normal (NDF) and inverse (IDF) diffusion flames at both normal gravity (1 g) and microgravity (0 g), and covering a wide range of conditions affecting radiative heat transfer, were simulated. The numerical model is based on the Steady Laminar Flamelet (SLF) model, a semi-empirical two-equation acetylene/benzene based soot model and the Statistical Narrow Band Correlated K (SNBCK) model coupled to the Finite Volume Method (FVM) to compute thermal radiation. Predictions relative to velocity, temperature, soot volume fraction and radiative losses are on the whole in good agreement with the available experimental data. Model results show that, for all the flames considered, thermal radiation is a crucial process with a view to providing accurate predictions for temperatures and soot concentrations. It becomes increasingly significant from IDFs to NDFs and its influence is much greater as gravity is reduced. The radiative contribution of gas prevails in the weakly-sooting IDFs and in the methane and ethane NDFs, whereas soot radiation dominates in the other flames. However, both contributions are significant in all cases, with the exception of the 1 g IDFs investigated where soot radiation can be ignored. The optically-thin approximation (OTA) was also tested and found to be applicable as long as the optical thickness, based on flame radius and Planck mean absorption coefficient, is less than 0.05. The OTA is reasonable for the IDFs and for most of the 1 g NDFs, but it fails to predict the radiative heat transfer for the 0 g NDFs. The accuracy of radiative-property models was then assessed in the latter cases. Simulations show that the gray approximation can be applied to soot but not to combustion gases. Both the non-gray and gray soot versions of the Full Spectrum Correlated k (FSCK

  12. Sorption Enhanced Reaction Process (SERP) for production of hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Anand, M.; Hufton, J.; Mayorga, S. [Air Products and Chemicals, Inc., Allentown, PA (United States)] [and others

    1996-10-01

    Sorption Enhanced Reaction Process (SERP) is a novel process that is being developed for the production of lower cost hydrogen by steam-methane reforming (SMR). In this process the reaction of methane with steam is carried out in the presence of an admixture of a catalyst and a selective adsorbent for carbon dioxide. The key consequences of SERP are: (i) reformation reaction is carried out at a significantly lower temperature (300-500{degrees}C) than that in a conventional SMR reactor (800-1100{degrees}C), while achieving the same conversion of methane to hydrogen, (ii) the product hydrogen is obtained at reactor pressure (200-400 psig) and at 98+% purity directly from the reactor (compared to only 70-75% H{sub 2} from conventional SMR reactor), (iii) downstream hydrogen purification step is either eliminated or significantly reduced in size. The first phase of the program has focused on the development of a sorbent for CO{sub 2} which has (a) reversible CO{sub 2} capacity >0.3 mmol/g at low partial pressures of CO{sub 2} (0.1 - 1.0 atm) in the presence of excess steam (pH{sub 2}O/pCO{sub 2}>20) at 400-500{degrees}C and (b) fast sorption-desorption kinetics for CO{sub 2}, at 400-500{degrees}C. Several families of supported sorbents have been identified that meet the target CO{sub 2} capacity. A few of these sorbents have been tested under repeated sorption/desorption cycles and extended exposure to high pressure steam at 400-500{degrees}C. One sorbent has been scaled up to larger quantities (2-3 kg) and tested in the laboratory process equipment for sorption and desorption kinetics of CO{sub 2}. The CO{sub 2}, sorption and desorption kinetics are desirably fast. This was a critical path item for the first phase of the program and now has been successfully demonstrated. A reactor has been designed that will allow nearly isothermal operation for SERP-SMR. This reactor was integrated into an overall process flow diagram for the SERP-SMR process.

  13. Experimental and computational investigation of temperature effects on soot mechanisms

    Directory of Open Access Journals (Sweden)

    Bi Xiaojie

    2014-01-01

    Full Text Available Effects of initial ambient temperatures on combustion and soot emission characteristics of diesel fuel were investigated through experiment conducted in optical constant volume chamber and simulation using phenomenological soot model. There are four difference initial ambient temperatures adopted in our research: 1000 K, 900 K, 800 K and 700 K. In order to obtain a better prediction of soot behavior, phenomenological soot model was revised to take into account the soot oxidation feedback on soot number density and good agreement was observed in the comparison of soot measurement and prediction. Results indicated that ignition delay prolonged with the decrease of initial ambient temperature. The heat release rate demonstrated the transition from mixing controlled combustion at high ambient temperature to premixed combustion mode at low ambient temperature. At lower ambient temperature, soot formation and oxidation mechanism were both suppressed. But finally soot mass concentration reduced with decreasing initial ambient temperature. Although the drop in ambient temperature did not cool the mean in-cylinder temperature during the combustion, it did shrink the total area of local high equivalence ratio, in which soot usually generated fast. At 700 K initial ambient temperature, soot emissions were almost negligible, which indicates that sootless combustion might be achieved at super low initial temperature operation conditions.

  14. Analysis of reaction and transport processes in zinc air batteries

    CERN Document Server

    Schröder, Daniel

    2016-01-01

    This book contains a novel combination of experimental and model-based investigations, elucidating the complex processes inside zinc air batteries. The work presented helps to answer which battery composition and which air-composition should be adjusted to maintain stable and efficient charge/discharge cycling. In detail, electrochemical investigations and X-ray transmission tomography are applied on button cell zinc air batteries and in-house set-ups. Moreover, model-based investigations of the battery anode and the impact of relative humidity, active operation, carbon dioxide and oxygen on zinc air battery operation are presented. The techniques used in this work complement each other well and yield an unprecedented understanding of zinc air batteries. The methods applied are adaptable and can potentially be applied to gain further understanding of other metal air batteries. Contents Introduction on Zinc Air Batteries Characterizing Reaction and Transport Processes Identifying Factors for Long-Term Stable O...

  15. Process and apparatus for producing nuclear fusion reactions

    International Nuclear Information System (INIS)

    Maglich, B.C.; Nering, J.E.; Mazarakis, M.G.; Miller, R.A.

    1976-01-01

    A process is submitted for the production of fusion reactions between particles of like polarity. This process consists essentially in delimitating a pumped down space comprising a central axis and a central plane arranged radially, and perpendicular to this central axis, in developing in this space a magnetic field the intensity of which decreases when the radial distance increases from the central axis and of which the intensity increases from the central plane, along this central axis. Particles of the same polarity are produced according to a population distribution in which the density of the particles in the greatest vibrational state exceeds the density of the particles in the greatest vibrational state in a normal distribution. These particles are injected near the centre of the magnetic field, by radial injection towards the inside as from the periphery of the space, in the same plane as the central plane [fr

  16. Thermal fragmentation and deactivation of combustion-generated soot particles

    KAUST Repository

    Raj, Abhijeet

    2014-09-01

    The effect of thermal treatment on diesel soot and on a commercial soot in an inert environment under isothermal conditions at intermediate temperatures (400-900°C) is studied. Two important phenomena are observed in both the soot samples: soot fragmentation leading to its mass loss, and loss of soot reactivity towards O2. Several experimental techniques such as high resolution transmission electron microscopy, electron energy loss spectroscopy, thermo-gravimetric analysis with mass spectrometry, elemental analysis, Fourier transform infrared spectroscopy and X-ray diffraction have been used to identify the changes in structures, functional groups such as oxygenates and aliphatics, σ and π bonding, O/C and H/C ratios, and crystallite parameters of soot particles, introduced by heat. A decrease in the size of primary particles and an increase in the average polycyclic aromatic hydrocarbon (PAH) size was observed in soots after thermal treatment. The activation energies of soot oxidation for thermally treated soot samples were found to be higher than those for the untreated ones at most conversion levels. The cyclic or acyclic aliphatics with sp3 hybridization were present in significant amounts in all the soot samples, but their concentration decreased with thermal treatment. Interestingly, the H/C and the O/C ratios of soot particles increased after thermal treatment, and thus, they do not support the decrease in soot reactivity. The increase in the concentration of oxygenates on soot surface indicate that their desorption from soot surface in the form of CO, CO2 and other oxygenated compounds may not be significant at the temperatures (400-900°C) studied in this work. © 2014 The Combustion Institute.

  17. Combustion and Gasification Collection of Diesel Soot by Means of Microwave Heating

    Directory of Open Access Journals (Sweden)

    Xueshi YAO

    2014-06-01

    Full Text Available The experiment of integrated purification of diesel soot was made by means of microwave heating. The experiment includes combustion and gasification collection. The catalytic effect of ceramic carrier was used in the combustion process. In order to improve the purification efficiency of PM2.5 particles, the surfactants were used in gasification collection. The model of computer control was set up so that the purification course could be controlled. The experimental principle was analyzed. Experiment result indicated that the diesel soot purifying efficiency is more than 90 %. The purification efficiency can be improved further by the optimization design of experimental device.

  18. Affective reactions and context-dependent processing of negations

    Directory of Open Access Journals (Sweden)

    Enrico Rubaltelli

    2008-12-01

    Full Text Available Three experiments demonstrate how the processing of negations is contingent on the evaluation context in which the negative information is presented. In addition, the strategy used to process the negations induced different affective reactions toward the stimuli, leading to inconsistency of preference. Participants were presented with stimuli described by either stating the presence of positive features (explicitly positive alternative or negating the presence of negative features (non-negative alternative. Alternatives were presented for either joint (JE or separate evaluation (SE. Experiment 1 showed that the non-negative stimuli were judged less attractive than the positive ones in JE but not in SE. Experiment 2 revealed that the non-negative stimuli induced a less clear and less positive feeling when they were paired with explicitly positive stimuli rather than evaluated separately. Non-negative options were also found less easy to judge than the positive ones in JE but not in SE. Finally, Experiment 3 showed that people process negations using two different models depending on the evaluation mode. Through a memory task, we found that in JE people process the non-negative attributes as negations of negative features, whereas in SE they directly process the non-negative attributes as positive features.

  19. Surface photo reaction processes using synchrotron radiation; Hoshako reiki ni yoru hyomenko hanno process

    Energy Technology Data Exchange (ETDEWEB)

    Imaizumi, Y. [Tohoku University, Sendai (Japan). Institute for Materials Research; Yoshigoe, A. [Toyohashi University of Technology, Aichi (Japan); Urisu, T. [Toyohashi University of Technology, Aichi (Japan). Institute for Molecular Science

    1997-08-20

    This paper introduces the surface photo reaction processes using synchrotron radiation, and its application. A synchrotron radiation process using soft X-rays contained in electron synchrotron radiated light as an excited light source has a possibility of high-resolution processing because of its short wave length. The radiated light can excite efficiently the electronic state of a substance, and can induce a variety of photochemical reactions. In addition, it can excite inner shell electrons efficiently. In the aspect of its application, it has been found that, if radiated light is irradiated on surfaces of solids under fluorine-based reaction gas or Cl2, the surfaces can be etched. This technology is utilized practically. With regard to radiated light excited CVD process, it may be said that anything that can be deposited by the ordinary plasma CVD process can be deposited. Its application to epitaxial crystal growth may be said a nano processing application in thickness direction, such as forming an ultra-lattice structure, the application being subjected to expectation. In micromachine fabricating technologies, a possibility is searched on application of a photo reaction process of the radiated light. 5 refs., 6 figs.

  20. Influence of fuel properties on fundamental spray characteristics and soot emissions using different tailor-made fuels from biomass

    International Nuclear Information System (INIS)

    García, Antonio; Monsalve-Serrano, Javier; Heuser, Benedikt; Jakob, Markus; Kremer, Florian; Pischinger, Stefan

    2016-01-01

    Highlights: • TMFB show clear potential to reduce soot emissions under mixing-controlled combustion. • The larger lift-off-length of 2-MTHF and 1-octanol promotes soot emissions reduction. • Oxidation process governs the improved soot emissions of DNBE. - Abstract: This work evaluates the potential of some new biomass-derived fuels as candidates for compression ignition operation. Thus, fundamental spray characteristics related to fuel vaporization and fuel/air mixing process for 2-Methyltetrahydrofuran, Di-n-butyl ether and 1-octanol has been studied and compared with conventional EN590 Diesel fuel. For this purpose, OH"∗ chemiluminescence and shadowgraphy measurements in a high pressure chamber as well as 1D simulations with a spray model have been carried out at different operating conditions representative of the NEDC driving cycle. Finally, measured soot emissions in the single-cylinder engine were presented and discussed. Results from the high pressure chamber presented very good agreement in terms of liquid length and vapor penetration with simulation results. Thus, some analytical expressions related to macroscopic spray characteristics have been proposed and validated experimentally for all four fuels. Finally, the single-cylinder engine results confirmed the relevant role of soot formation on final emissions for 1-octanol and 2-MTHF. In addition, DNBE showed greater soot oxidation potential than diesel and other TMFB candidates.

  1. Quantitative effects of rapid heating on soot-particle sizing through analysis of two-pulse LII

    KAUST Repository

    Cenker, Emre

    2017-02-27

    During the rapid laser pulse heating and consecutive cooling in laser-induced incandescence (LII), soot particles may undergo thermal annealing and sublimation processes which lead to a permanent change in its optical properties and its primary particle size, respectively. Overall, effects of these two processes on soot and LII model-based particle sizing are investigated by measuring the two-color time-resolved (2C-TiRe) LII signal decay from in-flame soot after two consecutive laser pulses at 1064-nm wavelength. Experiments are carried out on a non-premixed laminar ethylene/air flame from a Santoro burner with both low and moderate laser fluences suitable for particle sizing. The probe volume is set to a radial position close to the flame axis where the soot particles are known to be immature or less graphitic. With the first pulse, soot is pre-heated, and the LII signal after the consecutive second pulse is used for analysis. The two-color incandescence emission technique is used for the pyrometric determination of the LII-heated peak soot temperature at the second pulse. A new LII simulation tool is developed which accounts for particle heating via absorption and annealing, and cooling via sublimation, conduction, and radiation with various existing sub-models from the literature. The same approach of using two laser pulses is implemented in the simulations. Measurements indicate that thermal annealing and associated absorption enhancement becomes important at laser fluences above 0.17 J/cm2 for the immature in-flame soot. After a heating pulse at 0.33 J/cm2, the increase of the soot absorption function is calculated as 35% using the temperature measured at the second pulse and an absorption model based on the Rayleigh approximation. Present annealing model, on the other hand, predicts graphitization of soot even in the absence of laser heating at typical flame temperatures. Recorded experimental LII signal decays and LII-heated peak soot temperature

  2. Fullerene Soot in Eastern China Air: Results from Soot Particle-Aerosol Mass Spectrometer

    Science.gov (United States)

    Wang, J.; Ge, X.; Chen, M.; Zhang, Q.; Yu, H.; Sun, Y.; Worsnop, D. R.; Collier, S.

    2015-12-01

    In this work, we present for the first time, the observation and quantification of fullerenes in ambient airborne particulate using an Aerodyne Soot Particle - Aerosol Mass Spectrometer (SP-AMS) deployed during 2015 winter in suburban Nanjing, a megacity in eastern China. The laser desorption and electron impact ionization techniques employed by the SP-AMS allow us to differentiate various fullerenes from other aerosol components. Mass spectrum of the identified fullerene soot is consisted by a series of high molecular weight carbon clusters (up to m/z of 2000 in this study), almost identical to the spectral features of commercially available fullerene soot, both with C70 and C60 clusters as the first and second most abundant species. This type of soot was observed throughout the entire study period, with an average mass loading of 0.18 μg/m3, accounting for 6.4% of the black carbon mass, 1.2% of the total organic mass. Temporal variation and diurnal pattern of fullerene soot are overall similar to those of black carbon, but are clearly different in some periods. Combining the positive matrix factorization, back-trajectory and analyses of the meteorological parameters, we identified the petrochemical industrial plants situating upwind from the sampling site, as the major source of fullerene soot. In this regard, our findings imply the ubiquitous presence of fullerene soot in ambient air of industry-influenced area, especially the oil and gas production regions. This study also offers new insights into the characterization of fullerenes from other environmental samples via the advanced SP-AMS technique.

  3. Catalytic oxidation of soot over alkaline niobates

    International Nuclear Information System (INIS)

    Pecchi, G.; Cabrera, B.; Buljan, A.; Delgado, E.J.; Gordon, A.L.; Jimenez, R.

    2013-01-01

    Highlights: ► No previous reported studies about alkaline niobates as catalysts for soot oxidation. ► NaNbO 3 and KNbO 3 perovskite-type oxides show lower activation energy than other lanthanoid perovskite-type oxides. ► The alkaline niobate does not show deactivation by metal loss. - Abstract: The lack of studies in the current literature about the assessment of alkaline niobates as catalysts for soot oxidation has motivated this research. In this study, the synthesis, characterization and assessment of alkaline metal niobates as catalysts for soot combustion are reported. The solids MNbO 3 (M = Li, Na, K, Rb) are synthesized by a citrate method, calcined at 450 °C, 550 °C, 650 °C, 750 °C, and characterized by AAS, N 2 adsorption, XRD, O 2 -TPD, FTIR and SEM. All the alkaline niobates show catalytic activity for soot combustion, and the activity depends basically on the nature of the alkaline metal and the calcination temperature. The highest catalytic activity, expressed as the temperature at which combustion of carbon black occurs at the maximum rate, is shown by KNbO 3 calcined at 650 °C. At this calcination temperature, the catalytic activity follows an order dependent on the atomic number, namely: KNbO 3 > NaNbO 3 > LiNbO 3 . The RbNbO 3 solid do not follow this trend presumably due to the perovskite structure was not reached. The highest catalytic activity shown by of KNbO 3 , despite the lower apparent activation energy of NaNbO 3 , stress the importance of the metal nature and suggests the hypothesis that K + ions are the active sites for soot combustion. It must be pointed out that alkaline niobate subjected to consecutive soot combustion cycles does not show deactivation by metal loss, due to the stabilization of the alkaline metal inside the perovskite structure.

  4. On the Response of Nascent Soot Nanostructure and Oxidative Reactivity to Photoflash Exposure

    Directory of Open Access Journals (Sweden)

    Wei Wang

    2017-07-01

    Full Text Available Soot particles are a kind of major pollutant from fuel combustion. To enrich the understanding of soot, this work focuses on investigating detailed influences of instantaneous external irradiation (conventional photoflash exposure on nanostructure as well as oxidation reactivity of nascent soot particles. By detailed soot characterizations flash can reduce the mass of soot and soot nanostructure can be reconstructed substantially without burning. After flash, the degree of soot crystallization increases while the soot reactive rate decreases and the activation energy increases. In addition, nanostructure and oxidative reactivity of soot in air and Ar after flash are different due to their different thermal conductivities.

  5. Chemical Reactions in the Processing of Mosi2 + Carbon Compacts

    Science.gov (United States)

    Jacobson, Nathan S.; Lee, Kang N.; Maloy, Stuart A.; Heuer, Arthur H.

    1993-01-01

    Hot-pressing of MoSi2 powders with carbon at high temperatures reduces the siliceous grain boundary phase in the resultant compact. The chemical reactions in this process were examined using the Knudsen cell technique. A 2.3 wt pct oxygen MoSi2 powder and a 0.59 wt pct oxygen MoSi2 powder, both with additions of 2 wt pct carbon, were examined. The reduction of the siliceous grain boundary phase was examined at 1350 K and the resultant P(SiO)/P(CO) ratios interpreted in terms of the SiO(g) and CO(g) isobars on the Si-C-O predominance diagram. The MoSi2 + carbon mixtures were then heated at the hot-pressing temperature of 2100 K. Large weight losses were observed and could be correlated with the formation of a low-melting eutectic and the formation and vaporization of SiC.

  6. Characterizing germania concentration and structure in fiber soot using multiphoton microscopy and spectroscopy technology

    Science.gov (United States)

    Chen, Minghan; Li, Ming-Jun; Liu, Anping

    2015-02-01

    Germania doping is commonly used in the core of optical fiber due to its advantages compared to other materials such as superior transparency in near-infrared telecommunication wavelength region. During fiber preform manufacturing using the outside vapor deposition (OVD) process, Ge is doped into a silica soot preform by chemical vapor deposition. Since the Ge doping concentration profile is directly correlated with the fiber refractive index profile, its characterization is critical for the fiber industry. Electron probe micro-analyzer (EPMA) is a conventional analysis method for characterizing the Ge concentration profile. However, it requires extensive sample preparation and lengthy measurement. In this paper, a multiphoton microscopy technique is utilized to measure the Ge doping profile based on the multiphoton fluorescence intensity of the soot layers. Two samples, one with ramped and another with stepped Ge doping profiles were prepared for measurements. Measured results show that the technique is capable of distinguishing ramped and stepped Ge doping profiles with good accuracy. In the ramped soot sample, a sharp increment of doping level was observed in about 2 mm range from soot edge followed by a relative slow gradient doping accretion. As for the stepped doping sample, step sizes ranging from around 1 mm (at soot edge) to 3 mm (at soot center) were observed. All the measured profiles are in close agreement with that of the EPMA measurements. In addition, both multiphoton fluorescence (around 420 nm) and sharp second harmonic generations (at 532 nm) were observed, which indicates the co-existence of crystal and amorphous GeO2.

  7. Catalytic Oxidation of Soot on a Novel Active Ca-Co Dually-Doped Lanthanum Tin Pyrochlore Oxide

    Directory of Open Access Journals (Sweden)

    Lijie Ai

    2018-04-01

    Full Text Available A novel active Ca-Co dually-doping pyrochlore oxide La2−xCaxSn2−yCoyO7 catalyst was synthesized by the sol-gel method for catalytic oxidation of soot particulates. The microstructure, atomic valence, reduction, and adsorption performance were investigated by X-ray powder diffraction (XRD, scanning electron microscope (SEM, Fourier-transform infrared spectroscopy (FT-IR, X-ray photoelectron spectroscopy (XPS, H2-TPR (temperature-programmed reduction, and in situ diffuse reflection infrared Fourier transformed (DRIFTS techniques. Temperature programmed oxidation (TPO tests were performed with the mixture of soot-catalyst under tight contact conditions to evaluate the catalytic activity for soot combustion. Synergetic effect between Ca and Co improved the structure and redox properties of the solids, increased the surface oxygen vacancies, and provided a suitable electropositivity for oxide, directly resulting in the decreased ignition temperature for catalyzed soot oxidation as low as 317 °C. The presence of NO in O2 further promoted soot oxidation over the catalysts with the ignition temperature decreased to about 300 °C. The DRIFTS results reveal that decomposition of less stable surface nitrites may account for NO2 formation in the ignition period of soot combustion, which thus participate in the auxiliary combustion process.

  8. Transport processes in exothermic gas-solid reactions

    International Nuclear Information System (INIS)

    Vijay, P.L.; Sathiyamoorthy, D.

    1997-01-01

    The variation of the concentration of gaseous reactant, temperature distribution for an exothermic reaction, the diffusivity factor and the reaction ratio profiles with various radial positions of a solid reactant have been computed and illustrated for a specific case of reduction reaction of UO 3 by hydrogen

  9. Sooting Characteristics and Modeling in Counterflow Diffusion Flames

    KAUST Repository

    Wang, Yu

    2013-11-01

    Soot formation is one of the most complex phenomena in combustion science and an understanding of the underlying physico-chemical mechanisms is important. This work adopted both experimental and numerical approaches to study soot formation in laminar counterfl ow diffusion flames. As polycyclic aromatic hydrocarbons (PAHs) are the precursors of soot particles, a detailed gas-phase chemical mechanism describing PAH growth upto coronene for fuels with 1 to 4 carbon atoms was validated against laminar premixed and counter- flow diffusion fl ames. Built upon this gas-phase mechanism, a soot model was then developed to describe soot inception and surface growth. This soot model was sub- sequently used to study fuel mixing effect on soot formation in counterfl ow diffusion flames. Simulation results showed that compared to the baseline case of the ethylene flame, the doping of 5% (by volume) propane or ethane in ethylene tends to increase the soot volume fraction and number density while keeping the average soot size almost unchanged. These results are in agreement with experimental observations. Laser light extinction/scattering as well as laser induced fluorescence techniques were used to study the effect of strain rate on soot and PAH formation in counterfl ow diffusion ames. The results showed that as strain rate increased both soot volume fraction and PAH concentrations decreased. The concentrations of larger PAH were more sensitive to strain rate compared to smaller ones. The effect of CO2 addition on soot formation was also studied using similar experimental techniques. Soot loading was reduced with CO2 dilution. Subsequent numerical modeling studies were able to reproduce the experimental trend. In addition, the chemical effect of CO2 addition was analyzed using numerical data. Critical conditions for the onset of soot were systematically studied in counterfl ow diffusion ames for various gaseous hydrocarbon fuels and at different strain rates. A sooting

  10. Incipient Soot Formation in Rich Partially Premixed Flames under High Pressure Conditions of Relevance to Compression-Ignition Engines

    Science.gov (United States)

    2017-09-09

    a Laminar Premixed Flame, Aerosol Reaction Engineering , Center for Aerosol science and Engineering (CASE) Workshop 2016, Saint Louis, Missouri, May...Publication Type: Conference Paper or Presentation Conference Name: Aerosol Reaction Engineering , Center for Aerosol science and Engineering (CASE...measurements of critical soot precursors up to 3-ring aromatics is available online to modelers to improve the chemical reaction mechanism [24]. To give a

  11. Empirical soot formation and oxidation model

    Directory of Open Access Journals (Sweden)

    Boussouara Karima

    2009-01-01

    Full Text Available Modelling internal combustion engines can be made following different approaches, depending on the type of problem to be simulated. A diesel combustion model has been developed and implemented in a full cycle simulation of a combustion, model accounts for transient fuel spray evolution, fuel-air mixing, ignition, combustion, and soot pollutant formation. The models of turbulent combustion of diffusion flame, apply to diffusion flames, which one meets in industry, typically in the diesel engines particulate emission represents one of the most deleterious pollutants generated during diesel combustion. Stringent standards on particulate emission along with specific emphasis on size of emitted particulates have resulted in increased interest in fundamental understanding of the mechanisms of soot particulate formation and oxidation in internal combustion engines. A phenomenological numerical model which can predict the particle size distribution of the soot emitted will be very useful in explaining the above observed results and will also be of use to develop better particulate control techniques. A diesel engine chosen for simulation is a version of the Caterpillar 3406. We are interested in employing a standard finite-volume computational fluid dynamics code, KIVA3V-RELEASE2.

  12. Candle Soot-Driven Performance Enhancement in Pyroelectric Energy Conversion

    Science.gov (United States)

    Azad, Puneet; Singh, V. P.; Vaish, Rahul

    2018-05-01

    We observed substantial enhancement in pyroelectric output with the help of candle soot coating on the surface of lead zirconate titanate (PZT). Candle soot of varying thicknesses was coated by directly exposing pyroelectric material to the candle flame. The open-circuit pyroelectric voltage and closed-circuit pyroelectric current were recorded while applying infrared heating across the uncoated and candle soot-coated samples for different heating and cooling cycles. In comparison to the uncoated sample, the maximum open-circuit voltage improves seven times for the candle soot-coated sample and electric current increases by eight times across a resistance of 10Å. Moreover, the harvested energy is enhanced by 50 times for candle soot-coated sample. Results indicate that candle soot coating is an effective and economic method to improve infrared sensing performance of pyroelectric materials.

  13. Technical Note: The single particle soot photometer fails to reliably detect PALAS soot nanoparticles

    Directory of Open Access Journals (Sweden)

    M. Gysel

    2012-12-01

    Full Text Available The single particle soot photometer (SP2 uses laser-induced incandescence (LII for the measurement of atmospheric black carbon (BC particles. The BC mass concentration is obtained by combining quantitative detection of BC mass in single particles with a counting efficiency of 100% above its lower detection limit. It is commonly accepted that a particle must contain at least several tenths of a femtogram BC in order to be detected by the SP2.

    Here we show the result that most BC particles from a PALAS spark discharge soot generator remain undetected by the SP2, even if their BC mass, as independently determined with an aerosol particle mass analyser (APM, is clearly above the typical lower detection limit of the SP2. Comparison of counting efficiency and effective density data of PALAS soot with flame generated soot (combustion aerosol standard burner, CAST, fullerene soot and carbon black particles (Cabot Regal 400R reveals that particle morphology can affect the SP2's lower detection limit. PALAS soot particles are fractal-like agglomerates of very small primary particles with a low fractal dimension, resulting in a very low effective density. Such loosely packed particles behave like "the sum of individual primary particles" in the SP2's laser. Accordingly, most PALAS soot particles remain undetected as the SP2's laser intensity is insufficient to heat the primary particles to their vaporisation temperature because of their small size (Dpp ≈ 5–10 nm. Previous knowledge from pulsed laser-induced incandescence indicated that particle morphology might have an effect on the SP2's lower detection limit, however, an increase of the lower detection limit by a factor of ∼5–10, as reported here for PALAS soot, was not expected.

    In conclusion, the SP2's lower detection limit at a certain laser power depends primarily on the total BC mass per particle for compact particles with sufficiently high effective

  14. Effect of Dimethyl Ether Mixing on Soot Size Distribution in Premixed Ethylene Flame

    KAUST Repository

    Li, Zepeng

    2016-01-01

    As a byproduct of incomplete combustion, soot attracts increasing attentions as extensive researches exploring serious health and environmental effects from soot particles. Soot emission reduction requires a comprehensive understanding

  15. Strain rate effect on sooting characteristics in laminar counterflow diffusion flames

    KAUST Repository

    Wang, Yu; Chung, Suk-Ho

    2016-01-01

    The effects of strain rate, oxygen enrichment and fuel type on the sooting characteristics of counterflow diffusion flames were studied. The sooting structures and relative PAH concentrations were measured with laser diagnostics. Detailed soot

  16. The study of reactions influencing the biomass steam gasification process

    Energy Technology Data Exchange (ETDEWEB)

    C. Franco; F. Pinto; I. Gulyurtlu; I. Cabrita [INETI-DEECA, Lisbon (Portugal)

    2003-05-01

    Steam gasification studies were carried out in an atmospheric fluidised bed. The gasifier was operated over a temperature range of 700 900{sup o}C whilst varying a steam/biomass ratio from 0.4 to 0.85 w/w. Three types of forestry biomass were studied: Pinus pinaster (softwood), Eucalyptus globulus and holm-oak (hardwood). The energy conversion, gas composition, higher heating value and gas yields were determined and correlated with temperature, steam/biomass ratio, and species of biomass used. The results obtained seemed to suggest that the operating conditions were optimised for a gasification temperature around 830{sup o}C and a steam/biomass ratio of 0.6 0.7 w/w, because a gas richer in hydrogen and poorer in hydrocarbons and tars was produced. These conditions also favoured greater energy and carbon conversions, as well the gas yield. The main objective of the present work was to determine what reactions were dominant within the operation limits of experimental parameters studied and what was the effect of biomass type on the gasification process. As biomass wastes usually have a problem of availability because of seasonal variations, this work analysed the possibility of replacing one biomass species by another, without altering the gas quality obtained. 19 refs., 8 figs. 2 tabs.

  17. Studies on the runaway reaction of ABS polymerization process

    International Nuclear Information System (INIS)

    Hu, K.-H.; Kao, C.-S.; Duh, Y.-S.

    2008-01-01

    Taiwan has the largest acrylonitrile-butadiene-styrene (ABS) copolymer production in the world. Preventing on unexpected exothermic reactions and related emergency relief hazard is essential in the safety control of ABS emulsion polymerization. A VSP2 (Vent Sizing Package 2) apparatus is capable of studying both normal and abnormal conditions (e.g., cooling failure, mischarge, etc.) of industrial process. In this study, the scenarios were verified from the following abnormal conditions: loss of cooling, double charge of initiator, overcharge of monomer, without charge of solvent, and external fire. An external fire with constant heating will promote higher self-heat rate and this is recommended as the worst case scenario of emulsion polymerization on butadiene. Cooling failure coupled with bulk system of reactant was determined to be the credible worst case in ABS emulsion polymerization. Finally, the emergency vent sizing based on thermokinetics from VSP associated with DIERS methodology were used for evaluating the vent sizing and compared to that of the industrial plants

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

    Energy Technology Data Exchange (ETDEWEB)

    Skeen, S.A.; Axelbaum, R.L. [Department of Energy, Environmental, Chemical Engineering, Washington University in St. Louis, St. Louis, MO (United States); Yablonsky, G. [Department of Energy, Environmental, Chemical Engineering, Washington University in St. Louis, St. Louis, MO (United States); Parks College, Saint Louis University, St. Louis, MO (United States)

    2010-09-15

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

  19. Verbal Processing Reaction Times in "Normal" and "Poor" Readers.

    Science.gov (United States)

    Culbertson, Jack; And Others

    After it had been determined that reaction time (RT) was a sensitive measure of hemispheric dominance in a verbal task performed by normal adult readers, the reaction times of three groups of subjects (20 normal reading college students, 12 normal reading third graders and 11 poor reading grade school students) were compared. Ss were exposed to…

  20. Electron spin resonance of particulate soot samples from automobiles to help environmental studies

    International Nuclear Information System (INIS)

    Yamanaka, C.; Matsuda, T.; Ikeya, M.

    2005-01-01

    The application of electron spin resonance (ESR) was studied for diesel soot samples and suspended particulate matter (SPM) from automobile engines. Soot samples or diesel exhaust particles (DEP) were recovered at various points: in the exhaust pipe of a diesel engine, at the dust sampler of a highway tunnel (standard DEP), on the soundproofing wall alongside a heavy traffic road, and on the filters of a dust sampler for SPM. The diesel soot samples apparently showed two ESR spectra: one was a broad spectrum at g=2.1 with a line width of ca. 80-120mT and the other was a sharp signal of a carbon radical at g=2.003 with a line width of 0.4mT. Annealing experiments with a DEP sample at 250 deg. C revealed drastic enhancement of the sharp ESR signal, which suggested a thermal process of carbonization of remnant organics. An oximetric study by ESR showed an enhancement of the broad signal in the diesel soot sample as well as in the sharp ESR signal. Therefore, the main part of the broad ESR signal would be attributed to carbon radicals, which form a different configuration, probably closely interacting aggregates. Enhancement of the sharp ESR signal was not observed in the standard DEP sample under vacuum condition, which suggested less adsorption sites on the surface of DEP samples

  1. Pre-equilibrium decay processes in energetic heavy ion reactions

    International Nuclear Information System (INIS)

    Blann, M.

    1986-01-01

    The Boltzmann master equation (BME) is defined for application to precompound decay in heavy ion reactions in the 10 100 MeV/nucleon regime. Predicted neutron spectra are compared with measured results for central collisions of 20 Ne and 12 C with 165 Ho target nuclei. Comparisons are made with subthreshold π 0 yields in heavy ion reactions between 35 and 84 MeV/nucleon, and with the π 0 spectra. The BME is found to be an excellent tool for investigating these experimentally observed aspects of non-equilibrium heavy ion reactions. 18 refs., 8 figs

  2. Evaluation of Chemical Kinetic for Mathematics Model Reduction of Cadmium Reaction Rate, Constant and Reaction Orde in to Electrochemical Process

    International Nuclear Information System (INIS)

    Prayitno

    2007-01-01

    The experiment was reduction of cadmium rate with electrochemical influenced by time process, concentration, current strength and type of electrode plate. The aim of the experiment was to know the influence, mathematic model reduction of cadmium the reaction rate, reaction rate constant and reaction orde influenced by time process, concentration, current strength and type of electrode plate. Result of research indicate the time processing if using plate of copper electrode is during 30 minutes and using plate of aluminium electrode is during 20 minutes. Condition of strong current that used in process of electrochemical is only 0.8 ampere and concentration effective is 5.23 mg/l. The most effective type Al of electrode plate for reduction from waste and the efficiency of reduction is 98 %. (author)

  3. Photoacoustic Soot Spectrometer (PASS) Instrument Handbook

    Energy Technology Data Exchange (ETDEWEB)

    Dubey, M [Los Alamos National Laboratory; Springston, S [Brookhaven National Laboratory; Koontz, A [Pacific Northwest National Laboratory; Aiken, A [Los Alamos National Laboratory

    2013-01-17

    The photoacoustic soot spectrometer (PASS) measures light absorption by aerosol particles. As the particles pass through a laser beam, the absorbed energy heats the particles and in turn the surrounding air, which sets off a pressure wave that can be detected by a microphone. The PASS instruments deployed by ARM can also simultaneously measure the scattered laser light at three wavelengths and therefore provide a direct measure of the single-scattering albedo. The Operator Manual for the PASS-3100 is included here with the permission of Droplet Measurement Technologies, the instrument’s manufacturer.

  4. Fractal-like dimension of nanometer Diesel soot particles

    Energy Technology Data Exchange (ETDEWEB)

    Skillas, G.; Baltensperger, U. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Siegmann, K. [Eidgenoessische Technische Hochschule, Zurich (Switzerland)

    1997-11-01

    Measurements with a low-pressure impactor and a differential mobility analyser were conducted for Diesel soot at various engine loads. By means of these measurements a fractal-like dimension of Diesel soot particles, with diameters ranging from 55 up to 260 nm, was established. (author) 2 figs., 7 refs.

  5. Soot emissions from turbulent diffusion flames burning simple alkane fuels

    Energy Technology Data Exchange (ETDEWEB)

    Canteenwalla, P.M.; Johnson, M.R. [Carleton Univ., Ottawa, ON (Canada). Dept. of Mechanical and Aerospace Engineering; Thomson, K.A.; Smallwood, G.J. [National Research Council of Canada, Ottawa, ON (Canada). Inst. for Chemical Process and Environmental Technology

    2007-07-01

    A classic problem in combustion involves measurement and prediction of soot emissions from turbulent diffusion flames. Very high-sensitivity measurements of particulate matter (PM) from very low-sooting diffusion flames burning methane and other simple alkane fuels have been enabled from recent advances in laser-induced incandescence (LII). In order to quantify soot emissions from a lab-scale turbulent diffusion flame burner, this paper presented a study that used LII to develop a sampling protocol. The purpose of the study was to develop an experimentally based model to predict PM emissions from flares used in industry using soot emissions from lab-scale flares. Quantitative results of mass of soot emitted per mass of fuel burned were presented across a range of flow conditions and fuels. The experiment used digital imaging to measure flame lengths and estimate flame residence times. Comparisons were also made between current measurements and results of previous researchers for soot in the overfire region. The study also considered the validity applicability of buoyancy based models for predicting and scaling soot emissions. The paper described the experimental setup including sampling system and flame length imaging. Background information on soot yield and a comparison of flame residence time definitions were provided. The results and discussion of results were also presented. It was concluded that the results highlighted the subjective nature of flame length measurements. 10 refs., 4 figs.

  6. Mutagenicity of diesel exhaust soot dispersed in phospholipid surfactants

    Energy Technology Data Exchange (ETDEWEB)

    Wallace, W.; Keane, M.; Xing, S.; Harrison, J.; Gautam, M.; Ong, T.

    1994-06-01

    Organics extractable from respirable diesel exhaust soot particles by organic solvents have been known for some time to be direct acting frameshift mutagens in the Ames Salmonella typhimurium histidine reversion assay. Upon deposition in a pulmonary alveolus or respiratory bronchiole, respirable diesel soot particles will contact first the hypophase which is coated by and laden with surfactants. To model interactions of soot and pulmonary surfactant, the authors dispersed soots in vitro in the primary phospholipid pulmonary surfactant dipalmitoyl glycerophosphorylcholine (lecithin) (DPL) in physiological saline. They have shown that diesel soots dispersed in lecithin surfactant can express mutagenic activity, in the Ames assay system using S. typhimurium TA98, comparable to that expressed by equal amounts of soot extracted by dichloromethane/dimethylsulfoxide (DCM/DMSO). Here the authors report additional data on the same system using additional exhaust soots and also using two other phospholipids, dipalmitoyl glycerophosphoryl ethanolamine (DPPE), and dipalmitoyl phosphatidic acid (DPPA), with different ionic character hydrophilic moieties. A preliminary study of the surfactant dispersed soot in an eucaryotic cell test system also is reported.

  7. Experiments and Model Development for the Investigation of Sooting and Radiation Effects in Microgravity Droplet Combustion

    Science.gov (United States)

    Choi, Mun Young; Yozgatligil, Ahmet; Dryer, Frederick L.; Kazakov, Andrei; Dobashi, Ritsu

    2001-01-01

    Today, despite efforts to develop and utilize natural gas and renewable energy sources, nearly 97% of the energy used for transportation is derived from combustion of liquid fuels, principally derived from petroleum. While society continues to rely on liquid petroleum-based fuels as a major energy source in spite of their finite supply, it is of paramount importance to maximize the efficiency and minimize the environmental impact of the devices that burn these fuels. The development of improved energy conversion systems, having higher efficiencies and lower emissions, is central to meeting both local and regional air quality standards. This development requires improvements in computational design tools for applied energy conversion systems, which in turn requires more robust sub-model components for combustion chemistry, transport, energy transport (including radiation), and pollutant emissions (soot formation and burnout). The study of isolated droplet burning as a unidimensional, time dependent model diffusion flame system facilitates extensions of these mechanisms to include fuel molecular sizes and pollutants typical of conventional and alternative liquid fuels used in the transportation sector. Because of the simplified geometry, sub-model components from the most detailed to those reduced to sizes compatible for use in multi-dimensional, time dependent applied models can be developed, compared and validated against experimental diffusion flame processes, and tested against one another. Based on observations in microgravity experiments on droplet combustion, it appears that the formation and lingering presence of soot within the fuel-rich region of isolated droplets can modify the burning rate, flame structure and extinction, soot aerosol properties, and the effective thermophysical properties. These observations led to the belief that perhaps one of the most important outstanding contributions of microgravity droplet combustion is the observation that in the

  8. Investigation of soot morphology and particle size distrib ution in a turbulent nonpremixed flame via Monte Carlo simulations

    KAUST Repository

    Abdelgadir, Ahmed

    2015-03-30

    Recently, our group performed a set of direct numerical simulations (DNS) of soot formation and growth in a n-heptane three dimensional non-premixed jet flame [Attili et al., Proc. Comb. Inst, 35, 2015], [Attili et al., Comb. Flame, 161, 2014], [Bisetti et al.,Trans of the Royal Soc, 372, 2014]. The evolution of species relevant to soot formation and growth have been sampled along a large number of Lagrangian trajectories in the DNS. In this work, the DNS results are post-processed to compute the soot evolution along selected Lagrangian trajectories using a Monte Carlo method. An operator splitting approach is adopted to split the deterministic processes (nucleation, surface growth and oxidation) from coagulation, which is treated stochastically. The morphological properties of soot and the particlesize distribution are investigated. For trajectories that experience an early strong nucleation event, the particle size distribution is found to be bimodal, as the soot particles have enough time to coagulate and grow while it is unimodal for trajectories characterized by only late nucleation events. As a results, the average size distribution at two different crosswise positions in the flame is unimodal.

  9. Soot, organics, and ultrafine ash from air- and oxy-fired coal combustion

    KAUST Repository

    Andersen, Myrrha E.

    2016-10-19

    Pulverized bituminous coal was burned in a 10. W externally heated entrained flow furnace under air-combustion and three oxy-combustion inlet oxygen conditions (28, 32, and 36%). Experiments were designed to produce flames with practically relevant stoichiometric ratios (SR. =1.2-1.4) and constant residence times (2.3. s). Size-classified fly ash samples were collected, and measurements focused on the soot, elemental carbon (EC), and organic carbon (OC) composition of the total and ultrafine (<0.6. μm) fly ash. Results indicate that although the total fly ash carbon, as measured by loss on ignition, was always acceptably low (<2%) with all three oxy-combustion conditions lower than air-combustion, the ultrafine fly ash for both air-fired and oxy-fired combustion conditions consists primarily of carbonaceous material (50-95%). Carbonaceous components on particles <0.6. μm measured by a thermal optical method showed that large fractions (52-93%) consisted of OC rather than EC, as expected. This observation was supported by thermogravimetric analysis indicating that for the air, 28% oxy, and 32% oxy conditions, 14-71% of this material may be OC volatilizing between 100. C and 550. C with the remaining 29-86% being EC/soot. However, for the 36% oxy condition, OC may comprise over 90% of the ultrafine carbon with a much smaller EC/soot contribution. These data were interpreted by considering the effects of oxy-combustion on flame attachment, ignition delay, and soot oxidation of a bituminous coal, and the effects of these processes on OC and EC emissions. Flame aerodynamics and inlet oxidant composition may influence emissions of organic hazardous air pollutants (HAPs) from a bituminous coal. During oxy-coal combustion, judicious control of inlet oxygen concentration and placement may be used to minimize organic HAP and soot emissions.

  10. Process and device for energy production from thermonuclear fusion reactions

    International Nuclear Information System (INIS)

    Bussard, R.W.; Coppi, Bruno.

    1977-01-01

    An energy generating system is described using a fusion reaction. It includes several contrivances for confining a plasma in an area, a protective device around a significant part of each of these confinement contrivances, an appliance for introducing a fusion reaction fuel in each of the confinements so that the plasma may be formed. Each confinement can be separated from the protective device so that it may be replaced by another. The system is connected to the confinements, to the protective devices or to both. It enables the thermal energy to be extracted and transformed into another form, electric, mechanical or both [fr

  11. Development of the Fischer-Tropsch Process: From the Reaction Concept to the Process Book

    Directory of Open Access Journals (Sweden)

    Boyer C.

    2016-05-01

    Full Text Available The process development by IFP Energies nouvelles (IFPEN/ENI/Axens of a Fischer-Tropsch process is described. This development is based on upstream process studies to choose the process scheme, reactor technology and operating conditions, and downstream to summarize all development work in a process guide. A large amount of work was devoted to the catalyst performances on one hand and the scale-up of the slurry bubble reactor with dedicated complementary tools on the other hand. Finally, an original approach was implemented to validate both the process and catalyst on an industrial scale by combining a 20 bpd unit in ENI’s Sannazzaro refinery, with cold mock-ups equivalent to 20 and 1 000 bpd at IFPEN and a special “Large Validation Tool” (LVT which reproduces the combined effect of chemical reaction condition stress and mechanical stress equivalent to a 15 000 bpd industrial unit. Dedicated analytical techniques and a dedicated model were developed to simulate the whole process (reactor and separation train, integrating a high level of complexity and phenomena coupling to scale-up the process in a robust reliable base on an industrial scale.

  12. Reaction pathways of the dissociation of methylal: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Frey, H -M; Beaud, P; Gerber, T; Mischler, B; Radi, P P; Tzannis, A -P [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    Schemata for modelling combustion processes do not yet include reaction rates for oxygenated fuels like methylal (DMM) which is considered as an additive or replacement for diesel due to its low sooting propensity. Density functional theory (DFT) studies of the possible reaction pathways for different dissociation steps of methylal are presented. Cleavage of a hydrogen bond to the methoxy group or the central carbon atom were simulated at the BLYP/6-311++G{sup **} level of theory. The results are compared to the experiment when dissociating and/or ionising DMM with femtosecond pulses. (author) 1 fig., 1 tab., 1 ref.

  13. Effects of DME mixing on number density and size properties of soot particles in counterflow non-premixed ethylene flames

    KAUST Repository

    Choi, J. H.; Choi, B. C.; Lee, S. M.; Chung, Suk-Ho; Jung, K. S.; Jeong, W. L.; Choi, S. K.; Park, S. K.

    2015-01-01

    In order to investigate the effect of DME mixing on the number density and size of soot particles, DME was mixed in a counter flow non-premixed ethylene flame with mixture ratios of 5%, 14% and 30%. A laser extinction/scattering technique has been adopted to measure the volume fraction, number density, and mean size of soot particles. The experimental results showed that the highest soot concentrations were observed for flames with mixture ratios of 5% and 14%; however, for a mixture ratio of 30% the soot concentration decreased. Numerical results showed that the concentrations of propargyl radicals (C3H3) at the 5% and 14% ratios were higher than those measured in the ethylene-based flame, and the production of benzene (C6H6) in the 5% and 14% DME mixture flames was also increased. This indicates the crucial role of propargyl in benzene ring formation. These reactions generally become stronger with increased DME mixing, except for A1- + H2 → A1 + H (-R554) and n-C4H5 + C2H2 → A1 + H (R542). Therefore, it is indicated that adding DME to ethylene flames promotes benzene ring formation. Note that although the maximum C6H6 concentration is largest in the 30% DME mixing flame, the soot volume fraction is smaller than those for the 5% and 14% mixture ratios. This is because the local C6H6 concentration decreases in the relatively low temperature region in the fuel side where soot growth occurs. © 2015, The Korean Society of Mechanical Engineers and Springer-Verlag Berlin Heidelberg.

  14. Effects of DME mixing on number density and size properties of soot particles in counterflow non-premixed ethylene flames

    KAUST Repository

    Choi, J. H.

    2015-05-01

    In order to investigate the effect of DME mixing on the number density and size of soot particles, DME was mixed in a counter flow non-premixed ethylene flame with mixture ratios of 5%, 14% and 30%. A laser extinction/scattering technique has been adopted to measure the volume fraction, number density, and mean size of soot particles. The experimental results showed that the highest soot concentrations were observed for flames with mixture ratios of 5% and 14%; however, for a mixture ratio of 30% the soot concentration decreased. Numerical results showed that the concentrations of propargyl radicals (C3H3) at the 5% and 14% ratios were higher than those measured in the ethylene-based flame, and the production of benzene (C6H6) in the 5% and 14% DME mixture flames was also increased. This indicates the crucial role of propargyl in benzene ring formation. These reactions generally become stronger with increased DME mixing, except for A1- + H2 → A1 + H (-R554) and n-C4H5 + C2H2 → A1 + H (R542). Therefore, it is indicated that adding DME to ethylene flames promotes benzene ring formation. Note that although the maximum C6H6 concentration is largest in the 30% DME mixing flame, the soot volume fraction is smaller than those for the 5% and 14% mixture ratios. This is because the local C6H6 concentration decreases in the relatively low temperature region in the fuel side where soot growth occurs. © 2015, The Korean Society of Mechanical Engineers and Springer-Verlag Berlin Heidelberg.

  15. Studies of propane flame soot acting as heterogeneous ice nuclei in conjunction with single particle soot photometer measurements

    Directory of Open Access Journals (Sweden)

    I. Crawford

    2011-09-01

    Full Text Available The ice nucleation efficiency of propane flame soot particles with and without a sulphuric acid coating was investigated using the aerosol and cloud chamber facility AIDA (Aerosol Interaction and Dynamics in the Atmosphere. The test soot for cloud formation simulations was produced using a propane flame Combustion Aerosol Standard generator (CAST, Jing-CAST Technologies. The organic carbon content (OC of the test soot was altered in a reproducible fashion by changing the fuel/air mixture of the generator. The soot content of ice nuclei was subsequently investigated using a combination of a pumped counterflow virtual impactor (PCVI to separate and evaporate the ice crystals, and a DMT single particle soot photometer (SP2 to examine the mixing state of the BC containing ice residuals.

    Ice nucleation was found to be most efficient for uncoated soot of low organic carbon content (~5 % organic carbon content where deposition freezing occurred at an ice saturation ratio Sice ~ 1.22 at a temperature T = 226.6 K with 25 % of the test soot becoming active as ice nuclei. Propane flame soot of higher organic carbon content (~30 % and ~70 % organic carbon content showed significantly lower ice nucleation efficiency (an activated fraction of the order of a few percent in the experiments than the low organic carbon content soot, with water saturation being required for freezing to occur. Ice nucleation occurred over the range Sice = 1.22–1.70, and T = 223.2–226.6 K. Analysis of the SP2 data showed that the 5 % organic carbon content soot had an undetectable OC coating whereas the 30 % organic carbon content soot had a thicker or less volatile OC coating.

    The application of a sulphuric acid coating to the flame soot shifted the threshold of the onset of freezing towards that of the homogeneous freezing of sulphuric acid; for the minimum OC flame soot this inhibited nucleation since the

  16. Flow-Injection Responses of Diffusion Processes and Chemical Reactions

    DEFF Research Database (Denmark)

    Andersen, Jens Enevold Thaulov

    2000-01-01

    tool of automated analytical chemistry. The need for an even lower consumption of chemicals and for computer analysis has motivated a study of the FIA peak itself, that is, a theoretical model was developed, that provides detailed knowledge of the FIA profile. It was shown that the flow in a FIA...... manifold may be characterised by a diffusion coefficient that depends on flow rate, denoted as the kinematic diffusion coefficient. The description was applied to systems involving species of chromium, both in the case of simple diffusion and in the case of chemical reactions. It is suggested that it may...... be used in the resolution of FIA profiles to obtain information about the content of interference’s, in the study of chemical reaction kinetics and to measure absolute concentrations within the FIA-detector cell....

  17. Gas dynamic reaction process and system for laser chemistry

    International Nuclear Information System (INIS)

    Garbuny, M.

    1979-01-01

    A reaction system is disclosed wherein a moving, unidirectional stream of an activatable gaseous species is produced, the individual members of which have the forward components of their velocities at least 10 times greater than the lateral components of their velocities. The stream is irradiated with substantially monochromatic light having a frequency which activates at least some of the individual members of the species. The activated members can then be reacted with another stream or otherwise utilized

  18. Serpentinization as a reactive transport process: The brucite silicification reaction

    Science.gov (United States)

    Tutolo, Benjamin M.; Luhmann, Andrew J.; Tosca, Nicholas J.; Seyfried, William E.

    2018-02-01

    Serpentinization plays a fundamental role in the biogeochemical and tectonic evolution of the Earth and perhaps many other rocky planetary bodies. Yet, geochemical models still fail to produce accurate predictions of the various modes of serpentinization, which limits our ability to predict a variety of related geological phenomena over many spatial and temporal scales. Here, we use kinetic and reactive transport experiments to parameterize the brucite silicification reaction and provide fundamental constraints on SiO2 transport during serpentinization. We show that, at temperatures characteristic of the sub-seafloor at the serpentinite-hosted Lost City Hydrothermal Field (150 °C), the assembly of Si tetrahedra onto MgOH2 (i.e., brucite) surfaces is a rate-limiting elementary reaction in the production of serpentine and/or talc from olivine. Moreover, this reaction is exponentially dependent on the activity of aqueous silica (a SiO2 (aq)), such that it can be calculated according to the rate law:

  19. Flexible single molecule simulation of reaction-diffusion processes

    International Nuclear Information System (INIS)

    Hellander, Stefan; Loetstedt, Per

    2011-01-01

    An algorithm is developed for simulation of the motion and reactions of single molecules at a microscopic level. The molecules diffuse in a solvent and react with each other or a polymer and molecules can dissociate. Such simulations are of interest e.g. in molecular biology. The algorithm is similar to the Green's function reaction dynamics (GFRD) algorithm by van Zon and ten Wolde where longer time steps can be taken by computing the probability density functions (PDFs) and then sample from the distribution functions. Our computation of the PDFs is much less complicated than GFRD and more flexible. The solution of the partial differential equation for the PDF is split into two steps to simplify the calculations. The sampling is without splitting error in two of the coordinate directions for a pair of molecules and a molecule-polymer interaction and is approximate in the third direction. The PDF is obtained either from an analytical solution or a numerical discretization. The errors due to the operator splitting, the partitioning of the system, and the numerical approximations are analyzed. The method is applied to three different systems involving up to four reactions. Comparisons with other mesoscopic and macroscopic models show excellent agreement.

  20. Kinetic study of diesel soot oxidation: application to simulation of diesel particulate filter regeneration; Etude cinetique de la combustion des suies diesel: application a la modelisation de la regeneration du filtre a particule

    Energy Technology Data Exchange (ETDEWEB)

    Huguet, Ch.

    2005-11-15

    Because of their toxicity, soot are considered as the most important pollutant from Diesel engines. The Diesel Particulate Filter (DPF) is widely deployed in Europe to address the significant reductions in particulate emissions required by increasingly stringent emission standards, both for heavy duty vehicles and passenger cars. Such a DPF filtrates above 99% of soot emissions and must be regularly regenerated. The use of additive allows to decrease the soot oxidation temperature to values which can be reached by appropriate engine tuning. The soot addition is a dominant parameter for the development of regeneration strategies. Its influence must be correctly represented by models. This Ph-D was performed at IFP in collaboration with ADEME and was supported by the LCSR at Orleans. The aim of the present research is to develop a kinetic mechanism characteristic of Diesel soot oxidation, which can be integrated into a DPF regeneration model and used for engine control. The oxidation study was based on soot characterisation and reaction kinetics investigations. The samples of Diesel soot were collected, without and with Cerium/Iron additive, by using two engines points representative of two normalized European cycles (ECE and EUDC). Thermal and composition analyses with techniques such as XPS, XRD or TEM were used to determine their physical and chemical properties. Their oxidation kinetics was experimentally studied on a synthetic gas bench (SGB) with a fixed bed reactor. Different tests were performed: temperature-programmed oxidation (TPO), Isothermal oxidation (IO), and sequential oxidation. The results allowed to correlate Diesel soot physical and chemical properties with their oxidation rate. A kinetic model was developed, which is based on global carbon consummation law and distinguishes the oxidation of different soot components. The simulation results agree very well with the experimental results of Diesel soot oxidation. (author)

  1. Reductions of PAH and Soot by Center Air Injection

    Directory of Open Access Journals (Sweden)

    Kazuhiro Yamamoto

    2014-07-01

    Full Text Available In this study, to reduce the amount of pollutant PAH and soot in the flame, we examined the burner system equipped with a center air injection. For this purpose, by using PAH-LIF and soot LII, we evaluated relative PAH and soot amounts in both the triple port burner and the conventional co-axial burner (double port burner to discuss effects of center air injection on the formation of PAH and soot. The fuel was propane. In the triple port burner, two different blue flames are observed near the burner rim, followed by bright luminous flames with soot. The flame length is longer when the fuel flow velocity is increased. On the other hand, the flame length is shorter with an increase in internal air flow velocity. As for PAH and soot, these amounts of the triple port burner are much smaller than those of the double port burner. For the triple port burner, due to the center air injection, the fuel consumption occurs in both inner and outer flames. On the other hand, for the double port burner, the oxygen is supplied from one side air, and as a result, the fuel consumption rate is relatively lower. Hence, by the center air injection, the fuel consumption is largely accelerated, resulting in the reduction of PAH and soot.

  2. In-cylinder Combustion and Soot Evolution in the Transition from Conventional CI mode to PPC

    KAUST Repository

    An, Yanzhao

    2018-01-09

    The present study intends to explore the in-cylinder combustion and evolution of soot emission during the transition from conventional compression ignition (CI) combustion to partially premixed combustion (PPC) at low load conditions. In-cylinder combustion images and engine-out emissions were measured in an optical engine fueled with low octane heavy naphtha fuel (RON = 50). Full cycle engine simulations were performed using a three-dimensional computational fluid dynamics code CONVERGETM, coupled with gas phase chemical kinetics, turbulence, and particulate size mimic soot model. The simulations were performed under low load conditions (IMEP ~ 2 to 3 bar) at an engine speed of 1200 rpm. The start of injection (SOI) was advanced from late (-10 CAD aTDC) to early fuel injection timings (-40 CAD aTDC) to realize the combustion transition from CI combustion to PPC. The simulation results of combustion and emission are compared with the experimental results at both CI and PPC combustion modes. The results of the study show a typical low-temperature stratified lean combustion at PPC mode, while high-temperature spray-driven combustion is evident at CI mode. The in-cylinder small intermediates species such as acetylene (C2H2), propargyl (C3H3), cyclopentadienyl (C5H5) and polycyclic aromatic hydrocarbons (PAHs) were significantly suppressed at PPC mode. Nucleation reaction of PAHs collision contributed to main soot mass production. The distribution of soot mass and particle number density was consistent with the distribution of high-temperature zones at CI and PPC combustion modes.

  3. Atomic layer deposition of cerium oxide for potential use in diesel soot combustion

    Energy Technology Data Exchange (ETDEWEB)

    Ivanova, Tatiana V., E-mail: tatiana.ivanova@lut.fi, E-mail: ivanova.tatyana.v@gmail.com; Toivonen, Jenni; Maydannik, Philipp S.; Kääriäinen, Tommi; Sillanpää, Mika [ASTRaL Team, Laboratory of Green Chemistry, School of Engineering Science, Lappeenranta University of Technology, Sammonkatu 12, FI-50130 Mikkeli (Finland); Homola, Tomáš; Cameron, David C. [R& D Centre for Low-Cost Plasma and Nanotechnology Surface Modification, Masaryk University, Kotlářská 267/2, 611 37 Brno (Czech Republic)

    2016-05-15

    The particulate soot emission from diesel motors has a severe impact on the environment and people's health. The use of catalytic convertors is one of the ways to minimize the emission and decrease the hazard level. In this paper, the activity of cerium oxide for catalytic combustion of diesel soot was studied. Thin films of cerium dioxide were synthesized by atomic layer deposition using tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)cerium [Ce(thd){sub 4}] and ozone as precursors. The characteristics of the films were studied as a function of deposition conditions within the reaction temperature range of 180–350 °C. Thickness, crystallinity, elemental composition, and morphology of the CeO{sub 2} films deposited on Si (100) were characterized by ellipsometry, x-ray diffraction, x-ray photoelectron spectroscopy, atomic force microscopy, and field emission scanning electron microscopy, respectively. The growth rate of CeO{sub 2} was observed to be 0.30 Å/cycle at temperatures up to 250 °C with a slight increase to 0.37 Å/cycle at 300 °C. The effect of CeO{sub 2} films grown on stainless steel foil supports on soot combustion was measured with annealing tests. Based on the analysis of these, in catalytic applications, CeO{sub 2} has been shown to be effective in lowering the soot combustion temperature from 600 °C for the uncoated substrates to 370 °C for the CeO{sub 2} coated ones. It was found that the higher deposition temperatures had a positive effect on the catalyst performance.

  4. T-matrix modeling of linear depolarization by morphologically complex soot and soot-containing aerosols

    International Nuclear Information System (INIS)

    Mishchenko, Michael I.; Liu, Li; Mackowski, Daniel W.

    2013-01-01

    We use state-of-the-art public-domain Fortran codes based on the T-matrix method to calculate orientation and ensemble averaged scattering matrix elements for a variety of morphologically complex black carbon (BC) and BC-containing aerosol particles, with a special emphasis on the linear depolarization ratio (LDR). We explain theoretically the quasi-Rayleigh LDR peak at side-scattering angles typical of low-density soot fractals and conclude that the measurement of this feature enables one to evaluate the compactness state of BC clusters and trace the evolution of low-density fluffy fractals into densely packed aggregates. We show that small backscattering LDRs measured with ground-based, airborne, and spaceborne lidars for fresh smoke generally agree with the values predicted theoretically for fluffy BC fractals and densely packed near-spheroidal BC aggregates. To reproduce higher lidar LDRs observed for aged smoke, one needs alternative particle models such as shape mixtures of BC spheroids or cylinders. -- Highlights: ► New superposition T-matrix code is applied to soot aerosols. ► Quasi-Rayleigh side-scattering peak in linear depolarization (LD) is explained. ► LD measurements can be used for morphological characterization of soot aerosols

  5. Laser studies of chemical reaction and collision processes

    Energy Technology Data Exchange (ETDEWEB)

    Flynn, G. [Columbia Univ., New York, NY (United States)

    1993-12-01

    This work has concentrated on several interrelated projects in the area of laser photochemistry and photophysics which impinge on a variety of questions in combustion chemistry and general chemical kinetics. Infrared diode laser probes of the quenching of molecules with {open_quotes}chemically significant{close_quotes} amounts of energy in which the energy transferred to the quencher has, for the first time, been separated into its vibrational, rotational, and translational components. Probes of quantum state distributions and velocity profiles for atomic fragments produced in photodissociation reactions have been explored for iodine chloride.

  6. Characterization of Diesel Soot Aggregates by Scattering and Extinction Methods

    Science.gov (United States)

    Kamimoto, Takeyuki

    2006-07-01

    Characteristics of diesel soot particles sampled from diesel exhaust of a common-rail turbo-charged diesel engine are quantified by scattering and extinction diagnostics using newly build two laser-based instruments. The radius of gyration representing the aggregates size is measured by the angular distribution of scattering intensity, while the soot mass concentration is measured by a two-wavelength extinction method. An approach to estimate the refractive index of diesel soot by an analysis of the extinction and scattering data using an aggregates scattering theory is proposed.

  7. Characterization of Diesel Soot Aggregates by Scattering and Extinction Methods

    International Nuclear Information System (INIS)

    Kamimoto, Takeyuki

    2006-01-01

    Characteristics of diesel soot particles sampled from diesel exhaust of a common-rail turbo-charged diesel engine are quantified by scattering and extinction diagnostics using newly build two laser-based instruments. The radius of gyration representing the aggregates size is measured by the angular distribution of scattering intensity, while the soot mass concentration is measured by a two-wavelength extinction method. An approach to estimate the refractive index of diesel soot by an analysis of the extinction and scattering data using an aggregates scattering theory is proposed

  8. Towards predictive simulations of soot formation: from surrogate to turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Blanquart, Guillaume [California Inst. of Technology (CalTech), Pasadena, CA (United States)

    2017-03-28

    The combustion of transportation fuels leads to the formation of several kinds of pollutants, among which are soot particles. These particles, also formed during coal combustion and in fires, are the source of several health problems and environmental issues. Unfortunately, our current understanding of the chemical and physical phenomena leading to the formation of soot particles remains incomplete, and as a result, the predictive capability of our numerical tools is lacking. The objective of the work was to reduce the gap in the present understanding and modeling of soot formation both in laminar and turbulent flames. The effort spanned several length scales from the molecular level to large scale turbulent transport.

  9. Process for carrying out a chemical reaction with ionic liquid and carbon dioxide under pressure

    NARCIS (Netherlands)

    Kroon, M.C.; Shariati, A.; Florusse, L.J.; Peters, C.J.; Van Spronsen, J.; Witkamp, G.J.; Sheldon, R.A.; Gutkowski, K.I.

    2006-01-01

    The invention is directed to a process for carrying out a chemical reaction in an ionic liquid as solvent and CO2 as cosolvent, in which process reactants are reacted in a homogeneous phase at selected pressure and temperature to generate a reaction product at least containing an end-product of the

  10. Probing the RAFT process using a model reaction between alkoxyamine and dithioester

    NARCIS (Netherlands)

    Zhou, Y.

    2012-01-01

    A small-molecular model reaction was designed to probe the reversible addition–fragmentation chain transfer (RAFT) process. In this reaction, alkoxyamine releases radicals that react in situ with dithioester through the RAFT process, generating new radicals through the fragmentation of the

  11. Soot Formation and Destruction in High-Pressure Flames with Real Fuels

    Science.gov (United States)

    2013-08-18

    Temperature and Oxygen Concentration on Diesel Spray Combustion Using a Single- Nozzle Injector in a Constant Volume Combustion Chamber, Combustion...enable the design of more efficient diesel engines. Higher efficiency will help reduce the logistical demand transportation fuels place on the entire...understanding of the soot formation processes at elevated pressure (e.g., 30 atm) will enable the design of more efficient diesel engines. Higher

  12. Reaction

    African Journals Online (AJOL)

    abp

    19 oct. 2017 ... Reaction to Mohamed Said Nakhli et al. concerning the article: "When the axillary block remains the only alternative in a 5 year old child". .... Bertini L1, Savoia G, De Nicola A, Ivani G, Gravino E, Albani A et al ... 2010;7(2):101-.

  13. Investigations of Sooting Laminar Coflow Diffusion Flames at Elevated Pressures

    KAUST Repository

    Steinmetz, Scott A.

    2016-12-01

    Soot is a common byproduct of hydrocarbon based combustion systems. It poses a risk to human and environmental health, and can negatively or positively affect combustor performance. As a result, there is significant interest in understanding soot formation in order to better control it. More recently, the need to study soot formation in engine relevant conditions has become apparent. One engine relevant parameter that has had little focus is the ambient pressure. This body of work focuses on the formation of soot in elevated pressure environments, and a number of investigations are carried out with this purpose. Laminar coflow diffusion flames are used as steady, simple soot producers. First, a commonly studied flame configuration is further characterized. Coflow flames are frequently used for fundamental flame studies, particularly at elevated pressures. However, they are more susceptible to buoyancy induced instabilities at elevated pressures. The velocity of the coflow is known to have an effect on flame stability and soot formation, though these have not been characterized at elevated pressures. A series of flames are investigated covering a range of flowrates, pressures, and nozzle diameters. The stability limits of coflow flames in this range is investigated. Additionally, an alternative strategy for scaling these flames to elevated pressures is proposed. Finally, the effect of coflow rate on soot formation is evaluated. Identification of fundamental flames for coordinated research can facilitate our understanding of soot formation. The next study of this work focuses on adding soot concentration and particle size information to an existing fundamental flame dataset for the purpose of numerical model validation. Soot volume fraction and average particle diameters are successfully measured in nitrogen-diluted ethylene-air laminar coflow flames at pressures of 4, 8, 12, and 16 atm. An increase in particle size with pressure is found up to 12 atm, where particle

  14. Enzymatic processes in alternative reaction media: a mini review

    Directory of Open Access Journals (Sweden)

    Mansour Ghaffari-Moghaddam

    2015-08-01

    Full Text Available Biocatalysis is a growing field in the production of fine chemicals and will most probably increase its share in the future. Enzymatic reactions are carried out under mild conditions, i.e., non-toxic solvents, low temperature and pressure, which eliminates most environmental drawbacks associated with conventional production methods. The superiority of chemo-, regio- and enantioselectivity of enzymes exhibit significant advantages over conventional catalysts for production of fine chemicals, flavors, fragrances, agrochemicals and pharmaceuticals. Enzymes can function both in aqueous and non-aqueous solvents. As a result of the growing scientific and industrial interest towards green chemistry, green solvent systems, which are mainly water, supercritical fluids, ionic liquids, fluorinated solvents, and solvent-free systems have become more popular in biocatalysis. However, the activity and selectivity of an enzyme is heavily dependent on solvent properties. In this review, various green solvents were classified and some of their influential features on enzyme activity were discussed.

  15. Investigating Soot Morphology in Counterflow Flames at Elevated Pressures

    KAUST Repository

    Amin, Hafiz Muhammad Fahid

    2018-01-01

    Practical combustion devices such as gas turbines and diesel engines operate at high pressures to increase their efficiency. Pressure significantly increases the overall soot yield. Morphology of these ultra-fine particles determines their airborne

  16. TEM and HRTEM of Soot-in-oil particles and agglomerates from internal combustion engines

    International Nuclear Information System (INIS)

    Fay, M W; Rocca, A La; Shayler, P J

    2014-01-01

    Over time, the performance of lubricating oil in a diesel engine is affected by the build-up of carbon soot produced by the combustion process. TEM and HRTEM are commonly used to investigate the characteristics of individual and agglomerated particles from diesel exhaust, to understand the structure and distribution of the carbon sheets in the primary particles and the nanostructure morphology. However, high resolution imaging of soot-in-oil is more challenging, as mineral oil is a contaminant for the electron microscope and leads to instability under the electron beam. In this work we compare solvent extraction and centrifugation techniques for removing the mineral oil contaminant, and the effect on particle size distribution

  17. SO2 influence on the K/La2O3 soot combustion catalyst deactivation

    International Nuclear Information System (INIS)

    Peralta, M.A.; Ulla, M.A.; Querini, C.A.

    2008-01-01

    In the present work, K/La 2 O 3 was prepared and tested as a potential catalyst to be used in a diesel engine exhaust. The soot combustion activity was evaluated by temperature-programmed-oxidation (TPO), and the NO x -catalyst interaction was studied using a microbalance experiment. The SO 2 poisoning process and the regeneration of a poisoned K/La 2 O 3 catalyst were analyzed. The fresh catalyst presented a good soot combustion activity. After being treated with a 1000 ppm SO 2 stream, the catalyst was poisoned due to lanthanum sulfate and potassium sulfate formation. The NO x treatment contributed to the K 2 (SO 4 ) decomposition at the expense of extra La 2 (SO 4 ) 3 formation and the H 2 treatment contributed to the La 2 (SO 4 ) 3 decomposition. (author)

  18. Soot temperature and KL factor for biodiesel and diesel spray combustion in a constant volume combustion chamber

    KAUST Repository

    Zhang, Ji

    2013-07-01

    This paper presents measurements of the soot temperature and KL factor for biodiesel and diesel combustion in a constant volume chamber using a two-color technique. This technique uses a high-speed camera coupled with two narrowband filters (550. nm and 650. nm, 10. nm FWHM). After calibration, statistical analysis shows that the uncertainty of the two-color temperature is less than 5%, while it is about 50% for the KL factor. This technique is then applied to the spray combustion of biodiesel and diesel fuels under an ambient oxygen concentration of 21% and ambient temperatures of 800, 1000 and 1200. K. The heat release result shows higher energy utilization efficiency for biodiesel compared to diesel under all conditions; meanwhile, diesel shows a higher pressure increase due to its higher heating value. Biodiesel yields a lower temperature inside the flame area, a longer soot lift-off length, and a smaller soot area compared to diesel. Both the KL factor and the total soot with biodiesel are lower than with diesel throughout the entire combustion process, and this difference becomes larger as the ambient temperature decreases. Biodiesel shows approximately 50-100. K lower temperatures than diesel at the quasi-steady stage for 1000 and 1200. K ambient temperature, while diesel shows a lower temperature than biodiesel at 800. K ambient. This result may raise the question of how important the flame temperature is in explaining the higher NO. x emissions often observed during biodiesel combustion. Other factors may also play an important role in controlling NO. x emissions. Both biodiesel and diesel temperature measurements show a monotonic dependence on the ambient temperature. However, the ambient temperature appears to have a more significant effect on the soot formation and oxidation in diesel combustion, while biodiesel combustion soot characteristics shows relative insensitivity to the ambient temperature. © 2013 Elsevier Ltd.

  19. Numerical Investigation of Soot Formation in Non-premixed Flames

    KAUST Repository

    Abdelgadir, Ahmed Gamaleldin

    2017-05-01

    Soot is a carbon particulate formed as a result of the combustion of fossil fuels. Due to the health hazard posed by the carbon particulate, government agencies have applied strict regulations to control soot emissions from road vehicles, airplanes, and industrial plants. Thus, understanding soot formation and evolution is critical. Practical combustion devices operate at high pressure and in the turbulent regime. Elevated pressures and turbulence on soot formation significantly and fundamental understanding of these complex interactions is still poor. In this study, the effects of pressure and turbulence on soot formation and growth are investigated numerically. As the first step, the evolution of the particle size distribution function (PSDF) and soot particles morphology are investigated in turbulent non-premixed flames. A Direct Simulation Monte Carlo (DSMC) code is developed and used. The stochastic reactor describes the evolution of soot in fluid parcels following Lagrangian trajectories in a turbulent flow field. The trajectories are sampled from a Direct Numerical Simulation (DNS) of an n-heptane turbulent non-premixed flame. Although individual trajectories display strong bimodality as in laminar flames, the ensemble-average PSDF possesses only one mode and a broad tail, which implies significant polydispersity induced by turbulence. Secondly, the effect of the flow and mixing fields on soot formation at atmospheric and elevated pressures is investigated in coflow laminar diffusion flames. The experimental observation and the numerical prediction of the spatial distribution are in good agreement. Based on the common scaling methodology of the flames (keeping the Reynolds number constant), the scalar dissipation rate decreases as pressure increases, promoting the formation of PAH species and soot. The decrease of the scalar dissipation rate significantly contributes to soot formation occurring closer to the nozzle and outward on the flames wings as pressure

  20. Investigating Soot Morphology in Counterflow Flames at Elevated Pressures

    KAUST Repository

    Amin, Hafiz Muhammad Fahid

    2018-01-01

    Practical combustion devices such as gas turbines and diesel engines operate at high pressures to increase their efficiency. Pressure significantly increases the overall soot yield. Morphology of these ultra-fine particles determines their airborne lifetime and their interaction with the human respiratory system. Therefore, investigating soot morphology at high pressure is of practical relevance. In this work, a novel experimental setup has been designed and built to study the soot morphology at elevated pressures. The experimental setup consists of a pressure vessel, which can provide optical access from 10° to 165° for multi-angle light scattering, and a counterflow burner which produces laminar flames at elevated pressures. In the first part of the study, N2-diluted ethylene/air and ethane air counterflow flames are stabilized from 2 to 5 atm. Two-angle light scattering and extinction technique have been used to study the effects of pressure on soot parameters. Path averaged soot volume fraction is found to be very sensitive to pressure and increased significantly from 2 to 5 atm. Primary particle size and aggregate size also increased with pressure. Multi-angle light scattering is also performed and flames are investigated from 3 to 5 atm. Scattering to absorption ratio is calculated from multi-angle light scattering and extinction data. Scattering to absorption ratio increased with pressure whereas the number of primary particles in an aggregate decreased with increasing pressure. In the next part of the study, Thermophoretic Sampling of soot is performed, in counterflow flames from 3 to 10 atm, followed by transmission electron microscopy. Mean primary particle size increased with pressure and these trends are consistent withour light scattering measurements. Fractal properties of soot aggregates are found to be insensitive to pressure. 2D diffused light line of sight attenuation (LOSA) and Laser Induced Incandescence (LII) are used to measure local soot

  1. Understanding Combustion and Soot Formation in Diesel Engines

    Science.gov (United States)

    2016-09-09

    distributions of PLII signals help understand the soot distributions within diesel/ biodiesel flames. In addition, planar laser-induced Figure 1. Transported ...Prescribed by ANSI Std. Z39.18 Page 1 of 1FORM SF 298 9/14/2016https://livelink.ebs.afrl.af.mil/livelink/llisapi.dll This project investigated biodiesel ...emissions testing. 1 FINAL REPORT Project title: Understanding combustion and soot formation in biodiesel fuelled diesel engines Lead Institute and

  2. Stochastic flows, reaction-diffusion processes, and morphogenesis

    International Nuclear Information System (INIS)

    Kozak, J.J.; Hatlee, M.D.; Musho, M.K.; Politowicz, P.A.; Walsh, C.A.

    1983-01-01

    Recently, an exact procedure has been introduced [C. A. Walsh and J. J. Kozak, Phys. Rev. Lett.. 47: 1500 (1981)] for calculating the expected walk length for a walker undergoing random displacements on a finite or infinite (periodic) d-dimensional lattice with traps (reactive sites). The method (which is based on a classification of the symmetry of the sites surrounding the central deep trap and a coding of the fate of the random walker as it encounters a site of given symmetry) is applied here to several problems in lattice statistics for each of which exact results are presented. First, we assess the importance of lattice geometry in influencing the efficiency of reaction-diffusion processs in simple and multiple trap systems by reporting values of for square (cubic) versus hexagonal lattices in d = 2,3. We then show how the method may be applied to variable-step (distance-dependent) walks for a single walker on a given lattice and also demonstrate the calculation of the expected walk length for the case of multiple walkers. Finally, we make contact with recent discussions of ''mixing'' by showing that the degree of chaos associated with flows in certain lattice-systems can be calibrated by monitoring the lattice walks induced by the Poincare map of a certain parabolic function

  3. Evolution of density profiles for reaction-diffusion processes

    International Nuclear Information System (INIS)

    Ondarza-Rovira, R.

    1990-01-01

    The purpose of this work is to study the reaction diffusion equations for the concentration of one species in one spatial dimension. Nonlinear diffusion equations paly an important role in several fields: Physics, Kinetic Chemistry, Poblational Biology, Neurophysics, etc. The study of the behavior of solutions, with nonlinear diffusion coefficient, and monomial creation and annihilation terms, is considered. It is found, that when the exponent of the annihilation term is smaller than the one of the creation term, unstable equilibrium solutions may exist, for which solutions above it explode in finite time, but solutions below it decay exponentially. By means of the reduction to quadratures technique, it is found that is possible to obtain travelling wave solution in those cases when the annihilation term is greater than the creation term. This method of solution always permits to know the propagation velocity of the front, even if the concentration cannot be written in closed form. The portraits of the solutions in phase space show the existence of solutions which velocities may be smaller or greater than the ones found analytically. Linear and nonlinear diffusion equations, differ significantly in that the former are of change of solutions are considered. This is reminiscent of the fact that linear diffusion yields infinite propagation speed, even though the speed of the front is finite. When the strength of the annihilation term increases, as compared with that of the creation term, arbitrary initial conditions (studied numerically) relax to stable platforms that move indefinitly with constant speed. (Author)

  4. Time-averaged probability density functions of soot nanoparticles along the centerline of a piloted turbulent diffusion flame using a scanning mobility particle sizer

    KAUST Repository

    Chowdhury, Snehaunshu

    2017-01-23

    In this study, we demonstrate the use of a scanning mobility particle sizer (SMPS) as an effective tool to measure the probability density functions (PDFs) of soot nanoparticles in turbulent flames. Time-averaged soot PDFs necessary for validating existing soot models are reported at intervals of ∆x/D∆x/D = 5 along the centerline of turbulent, non-premixed, C2H4/N2 flames. The jet exit Reynolds numbers of the flames investigated were 10,000 and 20,000. A simplified burner geometry based on a published design was chosen to aid modelers. Soot was sampled directly from the flame using a sampling probe with a 0.5-mm diameter orifice and diluted with N2 by a two-stage dilution process. The overall dilution ratio was not evaluated. An SMPS system was used to analyze soot particle concentrations in the diluted samples. Sampling conditions were optimized over a wide range of dilution ratios to eliminate the effect of agglomeration in the sampling probe. Two differential mobility analyzers (DMAs) with different size ranges were used separately in the SMPS measurements to characterize the entire size range of particles. In both flames, the PDFs were found to be mono-modal in nature near the jet exit. Further downstream, the profiles were flatter with a fall-off at larger particle diameters. The geometric mean of the soot size distributions was less than 10 nm for all cases and increased monotonically with axial distance in both flames.

  5. Formation of polycyclic aromatic hydrocarbons and soot in fuel-rich oxidation of methane in a laminar flow reactor

    DEFF Research Database (Denmark)

    Skjøth-Rasmussen, Martin Skov; Glarborg, Peter; Østberg, M.

    2004-01-01

    Conversion of methane to higher hydrocarbons, polycyclic aromatic hydrocarbons (PAHs), and soot was investigated under fuel-rich conditions in a laminar flow reactor. The effects of stoichiometry, dilution, and water vapor addition were studied at temperatures between 1073 and 1823 K. A chemical...... kinetic mechanism was established for methane oxidation, with emphasis on formation of higher hydrocarbons and PAH. A submodel for soot formation was adopted from the work of Frenklach and co-workers without changes. Modeling predictions showed good agreement with experimental results. Reactants, stable...... decrease with increasing addition of water vapor. The effect is described qualitatively by the reaction mechanism. The enhanced oxidation of acetylene is attributed to higher levels of hydroxyl radicals, formed from the reaction between the water vapor and hydrogen atoms....

  6. Process of producing carbonaceous materials; reaction with hydrogen gases

    Energy Technology Data Exchange (ETDEWEB)

    1933-01-13

    A process is described for the production of valuable hydrocarbons by treating distillable carbonaceous materials together with hydrogen gases, under pressure and in contact with catalysts, the process consisting in adding to the original materials, first or during treatment, organic sulfonic acids together with metals from the fourth or eighth groups of the periodic system or a combination of these, or organic carbosilicic acids or inorganic acids containing oxides of sulfur or nitrogen or the anhydrides of these inorganic acids or variation of these compounds.

  7. Measurement of Soot Deposition in Automotive Components Using Neutron Radiography

    Energy Technology Data Exchange (ETDEWEB)

    Zekveld, David; Liu, Liaohui [AMEC NSS, 700 University Ave, Toronto, Ontario, M5G 1X6 (Canada); UOIT, 2000 Simcoe Street North, Oshawa, Ontario, L1H 7K4 (Canada); Harrison, Andrew; Gill, Spencer; Harvel, Glenn [UOIT, 2000 Simcoe Street North, Oshawa, Ontario, L1H 7K4 (Canada); Chang, Jen-Shih [McMaster University, 1280 Main Street West, Hamilton, Ontario, L8S 4L8 (Canada)

    2008-07-01

    About 40% of air pollution is generated by vehicles and transportation. The particulate matter (PM) emission significantly impacts human health. Fine particles below 2.5 {mu}m (PM2.5) can enter the lungs and lead to respiratory problems. These particles not only influence human health, but also reduce the capability of many automobile exhaust heat exchanging devices. Neutron radiography is a non-destructive method of analyzing carbonaceous PM. While neutron radiography has been demonstrated for soot measurement in the past, the application has not considered the presence of unburned hydrocarbons, significant amounts of moisture nor examined complex geometrical configurations. The purpose of this work is to study a reliable non-destructive testing methodology using neutron radiography for measurement of soot distribution in automotive components. A soot standard (aluminium target) was designed and manufactured as a calibration tool. The standard is radiographed and used to measure the differences between various soot thickness and compositions. The radiograph images are analyzed to determine a calibration curve based upon the composition of the materials which can then be used for analysis of the automotive components. Experiments are performed using a diesel engine to produce soot deposits on exhaust piping. Soot distribution on exhaust piping is measured using neutron radiography. (authors)

  8. Measurement of Soot Deposition in Automotive Components Using Neutron Radiography

    International Nuclear Information System (INIS)

    Zekveld, David; Liu, Liaohui; Harrison, Andrew; Gill, Spencer; Harvel, Glenn; Chang, Jen-Shih

    2008-01-01

    About 40% of air pollution is generated by vehicles and transportation. The particulate matter (PM) emission significantly impacts human health. Fine particles below 2.5 μm (PM2.5) can enter the lungs and lead to respiratory problems. These particles not only influence human health, but also reduce the capability of many automobile exhaust heat exchanging devices. Neutron radiography is a non-destructive method of analyzing carbonaceous PM. While neutron radiography has been demonstrated for soot measurement in the past, the application has not considered the presence of unburned hydrocarbons, significant amounts of moisture nor examined complex geometrical configurations. The purpose of this work is to study a reliable non-destructive testing methodology using neutron radiography for measurement of soot distribution in automotive components. A soot standard (aluminium target) was designed and manufactured as a calibration tool. The standard is radiographed and used to measure the differences between various soot thickness and compositions. The radiograph images are analyzed to determine a calibration curve based upon the composition of the materials which can then be used for analysis of the automotive components. Experiments are performed using a diesel engine to produce soot deposits on exhaust piping. Soot distribution on exhaust piping is measured using neutron radiography. (authors)

  9. Durable superhydrophobic carbon soot coatings for sensor applications

    Science.gov (United States)

    Esmeryan, K. D.; Radeva, E. I.; Avramov, I. D.

    2016-01-01

    A novel approach for the fabrication of durable superhydrophobic (SH) carbon soot coatings used in quartz crystal microbalance (QCM) based gas or liquid sensors is reported. The method uses modification of the carbon soot through polymerization of hexamethyldisiloxane (HMDSO) by means of glow discharge RF plasma. The surface characterization shows a fractal-like network of carbon nanoparticles with diameter of ~50 nm. These particles form islands and cavities in the nanometer range, between which the plasma polymerized hexamethyldisiloxane (PPHMDSO) embeds and binds to the carbon chains and QCM surface. Such modified surface structure retains the hydrophobic nature of the soot and enhances its robustness upon water droplet interactions. Moreover, it significantly reduces the insertion loss and dynamic resistance of the QCM compared to the commonly used carbon soot/epoxy resin approach. Furthermore, the PPHMDSO/carbon soot coating demonstrates durability and no aging after more than 40 probing cycles in water based liquid environments. In addition, the surface layer keeps its superhydrophobicity even upon thermal annealing up to 540 °C. These experiments reveal an opportunity for the development of soot based SH QCMs with improved electrical characteristics, as required for high-resolution gas or liquid measurements.

  10. A General Strategy for Nanohybrids Synthesis via Coupled Competitive Reactions Controlled in a Hybrid Process

    OpenAIRE

    Wang, Rongming; Yang, Wantai; Song, Yuanjun; Shen, Xiaomiao; Wang, Junmei; Zhong, Xiaodi; Li, Shuai; Song, Yujun

    2015-01-01

    A new methodology based on core alloying and shell gradient-doping are developed for the synthesis of nanohybrids, realized by coupled competitive reactions, or sequenced reducing-nucleation and co-precipitation reaction of mixed metal salts in a microfluidic and batch-cooling process. The latent time of nucleation and the growth of nanohybrids can be well controlled due to the formation of controllable intermediates in the coupled competitive reactions. Thus, spatiotemporal-resolved synthesi...

  11. Reaction of carnosine with aged proteins: another protective process?

    Science.gov (United States)

    Hipkiss, Alan R; Brownson, Carol; Bertani, Mariana F; Ruiz, Emilio; Ferro, Albert

    2002-04-01

    Cellular aging is often associated with an increase in protein carbonyl groups arising from oxidation- and glycation-related phenomena and suppressed proteasome activity. These "aged" polypeptides may either be degraded by 20S proteasomes or cross-link to form structures intractable to proteolysis and inhibitory to proteasome activity. Carnosine (beta-alanyl-l-histidine) is present at surprisingly high levels (up to 20 mM) in muscle and nervous tissues in many animals, especially long-lived species. Carnosine can delay senescence in cultured human fibroblasts and reverse the senescent phenotype, restoring a more juvenile appearance. As better antioxidants/free-radical scavengers than carnosine do not demonstrate these antisenescent effects, additional properties of carnosine must contribute to its antisenescent activity. Having shown that carnosine can react with protein carbonyls, thereby generating "carnosinylated" polypeptides using model systems, we propose that similar adducts are generated in senescent cells exposed to carnosine. Polypeptide-carnosine adducts have been recently detected in beef products that are relatively rich in carnosine, and carnosine's reaction with carbonyl functions generated during amino acid deamidation has also been described. Growth of cultured human fibroblasts with carnosine stimulated proteolysis of long-labeled proteins as the cells approached their "Hayflick limit," consistent with the idea that carnosine ameliorates the senescence-associated proteolytic decline. We also find that carnosine suppresses induction of heme-oxygenase-1 activity following exposure of human endothelial cells to a glycated protein. The antisenescent activity of the spin-trap agent alpha-phenyl-N-t-butylnitrone (PBN) towards cultured human fibroblasts resides in N-t-butyl-hydroxylamine, its hydrolysis product. As hydroxylamines are reactive towards aldehydes and ketones, the antisenescent activity of N-t-butyl-hydroxylamine and other hydroxylamines may

  12. Process technology for multi-enzymatic reaction systems

    DEFF Research Database (Denmark)

    Xue, Rui; Woodley, John M.

    2012-01-01

    In recent years, biocatalysis has started to provide an important green tool in synthetic organic chemistry. Currently, the idea of using multi-enzymatic systems for industrial production of chemical compounds becomes increasingly attractive. Recent examples demonstrate the potential of enzymatic...... synthesis and fermentation as an alternative to chemical-catalysis for the production of pharmaceuticals and fine chemicals. In particular, the use of multiple enzymes is of special interest. However, many challenges remain in the scale-up of a multi-enzymatic system. This review summarizes and discusses...... the technology options and strategies that are available for the development of multi-enzymatic processes. Some engineering tools, including kinetic models and operating windows, for developing and evaluating such processes are also introduced....

  13. Characterization and reactivity of soot from fast pyrolysis of lignocellulosic compounds and monolignols

    DEFF Research Database (Denmark)

    Trubetskaya, Anna; Brown, Avery; Tompsett, Geoffrey

    2018-01-01

    spectroscopy. The CO2 reactivity of soot was investigated by thermogravimetric analysis. Soot from cellulose was more reactive than soot produced from extractives, lignin and monolignols. Soot reactivity was correlated with the separation distances between adjacent graphene layers, as measured using...... transmission electron microscopy. Particle size, free radical concentration, differences in a degree of curvature and multi-core structures influenced the soot reactivity less than the interlayer separation distances. Soot yield was correlated with the lignin content of the feedstock. The selection...... of the extraction solvent had a strong influence on the soot reactivity. The Soxhlet extraction of softwood and wheat straw lignin soot using methanol decreased the soot reactivity, whereas acetone extraction had only a modest effect....

  14. Flue Gas Cleaning With Alternative Processes and Reaction Media

    DEFF Research Database (Denmark)

    Rasmussen, Søren Birk; Huang, Jun; Riisager, Anders

    2007-01-01

    Alternative methods to the traditional industrial NOX and SOXflue gas cleaning processes working at lower temperatures and/orleading to useful products are desired. In this work we presentour latest results regarding the use of molten ionic media inelectrocatalytic membrane separation, ionic liquid...... reversibleabsorption and supported ionic liquid deNOX catalysis. Furtherdevelopment of the methods will hopefully make them suitable forinstallation in different positions in the flue gas duct ascompared to the industrial methods available today....

  15. Statistical features of pre-compound processes in nuclear reactions

    International Nuclear Information System (INIS)

    Hussein, M.S.; Rego, R.A.

    1983-04-01

    Several statistical aspects of multistep compound processes are discussed. The connection between the cross-section auto-correlation function and the average number of maxima is emphasized. The restrictions imposed by the non-zero value of the energy step used in measuring the excitation fuction and the experimental error are discussed. Applications are made to the system 25 Mg( 3 He,p) 27 Al. (Author) [pt

  16. The Maillard reaction and pet food processing: effects on nutritive value and pet health

    NARCIS (Netherlands)

    Rooijen, van C.; Bosch, G.; Poel, van der A.F.B.; Wierenga, P.A.; Alexander, L.; Hendriks, W.H.

    2013-01-01

    The Maillard reaction, which can occur during heat processing of pet foods or ingredients, is known to reduce the bioavailability of essential amino acids such as lysine due to the formation of early and advanced Maillard reaction products (MRP) that are unavailable for utilisation by the body.

  17. Assessing Process Mass Intensity and Waste via an "aza"-Baylis-Hillman Reaction

    Science.gov (United States)

    Go´mez-Biagi, Rodolfo F.; Dicks, Andrew P.

    2015-01-01

    A synthetic procedure is outlined where upper-level undergraduate organic chemistry students perform a two-week, semimicroscale "aza"-Baylis-Hillman reaction to generate an allylic sulfonamide product. Students evaluate several green chemistry reaction metrics of industrial importance (process mass intensity (PMI), E factor, and reaction…

  18. Isothermal Kinetics of Diesel Soot Oxidation over La0.7K0.3ZnOy Catalysts

    Directory of Open Access Journals (Sweden)

    Ram Prasad

    2014-10-01

    Full Text Available This paper describes the kinetics of catalytic oxidation of diesel soot with air under isothermal conditions (320-350 oC. Isothermal kinetics data were collected in a mini-semi-batch reactor. Experiments were performed over the best selected catalyst composition La0.7K0.3ZnOy prepared by sol-gel method. Characterization of the catalyst by XRD and FTIR confirmed that La1-xKxZnOy did not exhibit perovskite phase but formed mixed metal oxides. 110 mg of the catalyst-soot mixture in tight contact (10:1 ratio was taken in order to determine the kinetic model, activation energy and Arrhenius constant of the oxidation reaction under the high air flow rate assuming pseudo first order reaction. The activation energy and Arrhenius constant were found to be 138 kJ/mol and 6.46x1010 min-1, respectively. © 2014 BCREC UNDIP. All rights reservedReceived: 26th April 2014; Revised: 27th May 2014; Accepted: 28th June 2014How to Cite: Prasad, R., Kumar, A., Mishra, A. (2014. Isothermal Kinetics of Diesel Soot Oxidation over La0.7K0.3ZnOy Catalysts. Bulletin of Chemical Reaction Engineering & Catalysis, 9(3: 192-200. (doi: 10.9767/bcrec.9.3.6773.192-200Permalink/DOI: http://dx.doi.org/10.9767/bcrec.9.3.6773.192-200

  19. Effect of Pore Structure on Soot Deposition in Diesel Particulate Filter

    Directory of Open Access Journals (Sweden)

    Kazuhiro Yamamoto

    2016-12-01

    Full Text Available Nowadays, in the after-treatment of diesel exhaust gas, a diesel particulate filter (DPF has been used to trap nano-particles of the diesel soot. However, as there are more particles inside the filter, the pressure which corresponds to the filter backpressure increases, which worsens the fuel consumption rate, together with the abatement of the available torque. Thus, a filter with lower backpressure would be needed. To achieve this, it is necessary to utilize the information on the phenomena including both the soot transport and its removal inside the DPF, and optimize the filter substrate structure. In this paper, to obtain useful information for optimization of the filter structure, we tested seven filters with different porosities and pore sizes. The porosity and pore size were changed systematically. To consider the soot filtration, the particle-laden flow was simulated by a lattice Boltzmann method (LBM. Then, the flow field and the pressure change were discussed during the filtration process.

  20. Effect of soot on oil properties and wear of engine components

    International Nuclear Information System (INIS)

    Green, D A; Lewis, R

    2007-01-01

    The objective of the work outlined in this paper was to increase the understanding of the wear mechanisms that occur within a soot contaminated contact zone, to help in future development of a predictive wear model to assist in the automotive engine valve train design process. The paper builds on previous work by the author, through testing of different lubricants and increased levels of soot contamination. Wear testing has been carried out using specimens operating under realistic engine conditions, using a reciprocating test-rig specifically designed for this application, where a steel disc is held in a heated bath of oil and a steel ball is attached to a reciprocating arm (replicating a sliding elephant's foot valve train contact). Detailed analysis of the test specimens has been performed using scanning electron microscopy to identify wear features relating to the proposed wear mechanisms. Analysis of worn engine components from durability engine tests has also been carried out for a comparison between specimen tests and engine testing. To assist the understanding of the wear test results obtained, the physical properties of contaminated lubricants were investigated, through viscosity, traction and friction measurements. The results have revealed how varying lubrication conditions change the wear rate of engine components and determine the wear mechanism that dominates in specific situations. Testing has also shown the positive effects of advanced engine lubricants to reduce the amount of wear produced with soot present

  1. Hybrid sparse blind deconvolution: an implementation of SOOT algorithm to real data

    Science.gov (United States)

    Pakmanesh, Parvaneh; Goudarzi, Alireza; Kourki, Meisam

    2018-06-01

    Getting information of seismic data depends on deconvolution as an important processing step; it provides the reflectivity series by signal compression. This compression can be obtained by removing the wavelet effects on the traces. The recently blind deconvolution has provided reliable performance for sparse signal recovery. In this study, two deconvolution methods have been implemented to the seismic data; the convolution of these methods provides a robust spiking deconvolution approach. This hybrid deconvolution is applied using the sparse deconvolution (MM algorithm) and the Smoothed-One-Over-Two algorithm (SOOT) in a chain. The MM algorithm is based on the minimization of the cost function defined by standards l1 and l2. After applying the two algorithms to the seismic data, the SOOT algorithm provided well-compressed data with a higher resolution than the MM algorithm. The SOOT algorithm requires initial values to be applied for real data, such as the wavelet coefficients and reflectivity series that can be achieved through the MM algorithm. The computational cost of the hybrid method is high, and it is necessary to be implemented on post-stack or pre-stack seismic data of complex structure regions.

  2. Advanced Precursor Reaction Processing for Cu(InGa)(SeS)2 Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Shafarman, William N. [Univ. of Delaware, Newark, DE (United States)

    2015-10-12

    This project “Advanced Precursor Reaction Processing for Cu(InGa)(SeS)2 Solar Cells”, completed by the Institute of Energy Conversion (IEC) at the University of Delaware in collaboration with the Department of Chemical Engineering at the University of Florida, developed the fundamental understanding and technology to increase module efficiency and improve the manufacturability of Cu(InGa)(SeS)2 films using the precursor reaction approach currently being developed by a number of companies. Key results included: (1) development of a three-step H2Se/Ar/H2S reaction process to control Ga distribution through the film and minimizes back contact MoSe2 formation; (2) Ag-alloying to improve precursor homogeneity by avoiding In phase agglomeration, faster reaction and improved adhesion to allow wider reaction process window; (3) addition of Sb, Bi, and Te interlayers at the Mo/precursor junction to produce more uniform precursor morphology and improve adhesion with reduced void formation in reacted films; (4) a precursor structure containing Se and a reaction process to reduce processing time to 5 minutes and eliminate H2Se usage, thereby increasing throughput and reducing costs. All these results were supported by detailed characterization of the film growth, reaction pathways, thermodynamic assessment and device behavior.

  3. Influence of reaction chamber shape on cast-iron spheroidization process in-mold

    Directory of Open Access Journals (Sweden)

    S. Pietrowski

    2010-01-01

    Full Text Available This paper presents a results concerning the influence of reaction chamber shape on cast – iron spheroidization process in form. The volume of the tested reaction chambers was about 118000mm3. Reaction chambers in the shape of: rectangular, cylinder and spherical cap were examined. It has been shown that the best graphite spheroidizing process was provided by spherical cap chamber shape. The reaction of cast – iron with magnesium in reaction chamber depends on the flow of cast – iron in the chamber. In rectangular and cylinder shape chambers proceed the impact of diphase stream on flat bottom wall. It causes the creation on its surface film, called: cast – iron “film”, where single grains of magnesium master alloy exist. The largest part of master alloy is drifted by liquid cast – iron to the top and only there graphite spheroidization process proceed. In the spherical cap shape reaction chamber, as a result of rotation movement of liquid cast – iron throughout its volume, graphite spheroidization process proceed. Apart from the reaction chamber shape, applying of mixing chamber ensure full cast – iron spheroidization process.

  4. Food Processing and Maillard Reaction Products: Effect on Human Health and Nutrition

    Directory of Open Access Journals (Sweden)

    Nahid Tamanna

    2015-01-01

    Full Text Available Maillard reaction produces flavour and aroma during cooking process; and it is used almost everywhere from the baking industry to our day to day life to make food tasty. It is often called nonenzymatic browning reaction since it takes place in the absence of enzyme. When foods are being processed or cooked at high temperature, chemical reaction between amino acids and reducing sugars leads to the formation of Maillard reaction products (MRPs. Depending on the way the food is being processed, both beneficial and toxic MRPs can be produced. Therefore, there is a need to understand the different types of MRPs and their positive or negative health effects. In this review we have summarized how food processing effects MRP formation in some of the very common foods.

  5. Investigation of Multiscale and Multiphase Flow, Transport and Reaction in Heavy Oil Recovery Processes

    Energy Technology Data Exchange (ETDEWEB)

    Yorstos, Yannis C.

    2003-03-19

    The report describes progress made in the various thrust areas of the project, which include internal drives for oil recovery, vapor-liquid flows, combustion and reaction processes and the flow of fluids with yield stress.

  6. Food Processing and Maillard Reaction Products: Effect on Human Health and Nutrition

    Science.gov (United States)

    Tamanna, Nahid; Mahmood, Niaz

    2015-01-01

    Maillard reaction produces flavour and aroma during cooking process; and it is used almost everywhere from the baking industry to our day to day life to make food tasty. It is often called nonenzymatic browning reaction since it takes place in the absence of enzyme. When foods are being processed or cooked at high temperature, chemical reaction between amino acids and reducing sugars leads to the formation of Maillard reaction products (MRPs). Depending on the way the food is being processed, both beneficial and toxic MRPs can be produced. Therefore, there is a need to understand the different types of MRPs and their positive or negative health effects. In this review we have summarized how food processing effects MRP formation in some of the very common foods. PMID:26904661

  7. A Phenomenological Model for Prediction Auto-Ignition and Soot Formation of Turbulent Diffusion Combustion in a High Pressure Common Rail Diesel Engine

    Directory of Open Access Journals (Sweden)

    Qinghui Zhou

    2011-06-01

    Full Text Available A new phenomenological model, the TP (Temperature Phase model, is presented to carry out optimization calculations for turbulent diffusion combustion in a high-pressure common rail diesel engine. Temperature is the most important parameter in the TP model, which includes two parts: an auto-ignition and a soot model. In the auto-ignition phase, different reaction mechanisms are built for different zones. For the soot model, different methods are used for different temperatures. The TP model is then implemented in KIVA code instead of original model to carry out optimization. The results of cylinder pressures, the corresponding heat release rates, and soot with variation of injection time, variation of rail pressure and variation of speed among TP model, KIVA standard model and experimental data are analyzed. The results indicate that the TP model can carry out optimization and CFD (computational fluid dynamics and can be a useful tool to study turbulent diffusion combustion.

  8. Experimental determination of soot refractive index in the infrared

    International Nuclear Information System (INIS)

    Ouf, F.X.; Vendel, J.; Ouf, F.X.; Coppalle, A.; Weil, M.E.; Yon, J.

    2007-01-01

    The study of physical properties of soot particles produced during combustion is a complex subject but of a great interest within the framework of the study of the safety of an installation, with respect to the fire hazard. These characteristics are, in this case, particularly useful in order to predict the behaviour of containment barriers in situation of fire, but also in order to estimate the contribution of these particles to radiative transfers. The aim of this study is to determine the radiative properties of soot particles produced during combustion. A specific device, which establishes extinction and vertical-vertical scattering coefficients, has been developed and has allowed to determine the refractive index of soot particles in the infrared. This determination also needed the establishment of size distribution and morphological properties of soot aggregates. We present in this document the experimental device developed, and the validation of this device on latex spheres which optical properties are well known. First results of extinction coefficients will be presented and will underline the similar optical behaviour of different soot aggregates. Values of refractive index will be detailed and discussed, and a direct application of these values will be carried out in order to determine the soot volume fraction. A comparison with reference method will underline the efficiency of our method. We will conclude on the validity of the information brought by this device and on the prospects of this study. A discussion is included, on the utility of mean values of refractive index and on the determination of total emissivity of soot particles. (authors)

  9. Investigating radical cation chain processes in the electrocatalytic Diels-Alder reaction.

    Science.gov (United States)

    Imada, Yasushi; Okada, Yohei; Chiba, Kazuhiro

    2018-01-01

    Single electron transfer (SET)-triggered radical ion-based reactions have proven to be powerful options in synthetic organic chemistry. Although unique chain processes have been proposed in various photo- and electrochemical radical ion-based transformations, the turnover number, also referred to as catalytic efficiency, remains unclear in most cases. Herein, we disclose our investigations of radical cation chain processes in the electrocatalytic Diels-Alder reaction, leading to a scalable synthesis. A gram-scale synthesis was achieved with high current efficiency of up to 8000%. The reaction monitoring profiles showed sigmoidal curves with induction periods, suggesting the involvement of intermediate(s) in the rate determining step.

  10. Design of an embedded inverse-feedforward biomolecular tracking controller for enzymatic reaction processes.

    Science.gov (United States)

    Foo, Mathias; Kim, Jongrae; Sawlekar, Rucha; Bates, Declan G

    2017-04-06

    Feedback control is widely used in chemical engineering to improve the performance and robustness of chemical processes. Feedback controllers require a 'subtractor' that is able to compute the error between the process output and the reference signal. In the case of embedded biomolecular control circuits, subtractors designed using standard chemical reaction network theory can only realise one-sided subtraction, rendering standard controller design approaches inadequate. Here, we show how a biomolecular controller that allows tracking of required changes in the outputs of enzymatic reaction processes can be designed and implemented within the framework of chemical reaction network theory. The controller architecture employs an inversion-based feedforward controller that compensates for the limitations of the one-sided subtractor that generates the error signals for a feedback controller. The proposed approach requires significantly fewer chemical reactions to implement than alternative designs, and should have wide applicability throughout the fields of synthetic biology and biological engineering.

  11. Soot in the air may have serious climatic consequences

    International Nuclear Information System (INIS)

    Seip, Hans Martin

    2002-01-01

    Emissions of soot in China and India may be an important cause of changed summer weather in China, with increasing floods in the south-east and increasing droughts in the north-east. In addition to the greenhouse gases, the particulate matter (aerosols) in the air has an important effect on the climate. Most particles have a cooling effect since they reflect solar radiation. However, some particles are dark as they contain soot ('black carbon'). Such particles, which are formed by incomplete combustion of coal, oil and biomass, absorb solar radiation and thus have a warming effect, even if they reduce the solar irradiation on the ground. Soot particles do not have quite the same effect as the greenhouse gases. The soot particles absorb solar radiation, while the greenhouse gases absorb terrestrial heat radiation. In addition, the residence time of the soot particles in the atmosphere is shorter than that of, say, carbon dioxide. The concentration is therefore much higher in areas close to emission sources than elsewhere

  12. Critical regimes driven by recurrent mobility patterns of reaction-diffusion processes in networks

    Science.gov (United States)

    Gómez-Gardeñes, J.; Soriano-Paños, D.; Arenas, A.

    2018-04-01

    Reaction-diffusion processes1 have been widely used to study dynamical processes in epidemics2-4 and ecology5 in networked metapopulations. In the context of epidemics6, reaction processes are understood as contagions within each subpopulation (patch), while diffusion represents the mobility of individuals between patches. Recently, the characteristics of human mobility7, such as its recurrent nature, have been proven crucial to understand the phase transition to endemic epidemic states8,9. Here, by developing a framework able to cope with the elementary epidemic processes, the spatial distribution of populations and the commuting mobility patterns, we discover three different critical regimes of the epidemic incidence as a function of these parameters. Interestingly, we reveal a regime of the reaction-diffussion process in which, counter-intuitively, mobility is detrimental to the spread of disease. We analytically determine the precise conditions for the emergence of any of the three possible critical regimes in real and synthetic networks.

  13. Chinese Soot on a Vietnamese Soup

    Science.gov (United States)

    Mari, X.

    2015-12-01

    Black Carbon (BC) is an aerosol emitted as soot during biomass burning and fossil fuels combustion together with other carbonaceous aerosols such as organic carbon (OC) and polyaromatic hydrocarbons (PAHs). While the impacts of BC on health and climate have been studied for many years, studies about its deposition and impact on marine ecosystems are scares. This is rather surprising considering that a large fraction of atmospheric BC deposits on the surface of the ocean via dry or wet deposition. On a global scale, deposition on the ocean is about 45 Tg C per year, with higher fluxes in the northern hemisphere and in inter-tropical regions, following the occurrence of the hot-spots of concentration. In the present study conducted on shore, in Haiphong and Halong cities, North Vietnam, we measured the seasonal variations of atmospheric BC, OC and PAHs during a complete annual cycle. The presentation will discuss the atmospheric results in terms of seasonal variability and sources. Inputs to the marine system are higher during the dry season, concomitantly with the arrival of air masses enriched in BC coming from the North. However, the carbon fingerprint can significantly differ at shorter time periods depending on the air mass pathway and speed. Our work leads to the characterization and the determination of the relative contribution of more specific sources like local traffic, which includes tourism and fishing boats, coal dust emitted from the nearby mine, and long-range transported aerosols. This variable input of carbonaceous aerosols might have consequences for the cycling and the repartition of carbon and nutrients in the marine ecosystem of Halong Bay.

  14. Investigations of the long-term effects of LII on soot and bath gas

    KAUST Repository

    Cenker, Emre; Bennett, A.; Roberts, William L.

    2017-01-01

    A combination of high-repetition rate imaging, laser extinction measurements, two-colour soot pyrometry imaging, and high-resolution transmission electron microscopy of thermophoretically sampled soot is used to investigate the long

  15. A computational study of soot formation in opposed-flow diffusion flame interacting with vortices

    KAUST Repository

    Selvaraj, Prabhu; Im, Hong G.

    2017-01-01

    ethylene-air flame is simulated. A reduced mechanism with PAH pathways that includes until coronene and method of moments with interpolative closure (MOMIC) has been employed to calculate the soot characteristics. Interaction of sooting flame with a

  16. The immersion freezing behavior of size-segregated soot and kaolinite particles

    Science.gov (United States)

    Hartmann, S.; Augustin, S.; Clauss, T.; Niedermeier, D.; Raddatz, M.; Wex, H.; Shaw, R. A.; Stratmann, F.

    2011-12-01

    Heterogeneous ice nucleation plays a crucial role for ice formation in mixed-phase and cirrus clouds and has an important impact on precipitation formation, global radiation balances, and therefore Earth's climate (Cantrell and Heymsfield, 2005). Mineral dust and soot particles are found to be a major component of ice crystal residues (e.g., Pratt et al., 2009) so these substances are potential sources of atmospheric ice nuclei (IN). Experimental studies investigating the immersion freezing behavior of size-segregated soot and kaolinite particles conducted at the Leipzig Aerosol Cloud Interaction Simulator (LACIS) are presented. In our measurements only one aerosol particle is immersed in an air suspended water droplet which can trigger ice nucleation. The method facilitates very precise examinations with respect to temperature, ice nucleation time and ice nucleus size. Considering laboratory studies, the picture of the IN ability of soot particles is quite heterogeneous. Our studies show that submicron flame, spark soot particles and optionally coated with sulfuric acid to simulate chemically aging do not act as IN at temperatures higher than homogeneous freezing taking place. Therefore soot particles might not be an important source of IN for immersion freezing in the atmosphere. In contrast, kaolinite being representative for natural mineral dust with a well known composition and structure is found to be very active in forming ice for all freezing modes (e.g., Mason and Maybank, 1958). Analyzing the immersion freezing behavior of different sized kaolinite particles (300, 500 and 700 nm in diameter) the size effect was clearly observed, i.e. the ice fraction (number of frozen droplets per total number) scales with particle surface, i.e. the larger the ice nucleus surface the higher the ice fraction. The slope of the logarithm of the ice fraction as function of temperature is similar for all particle sizes investigated and fits very well with the results of L

  17. Energy dissipation in the process of ternary fission in heavy nuclear reaction

    International Nuclear Information System (INIS)

    Li Xian; Wang Chengqian; Yan Shiwei

    2015-01-01

    We studied the evolution of the collective motion, interaction potential, the total kinetic and excitation energies in ternary fissions of 197 Au + 197 Au system at 15 MeV/u, and discussed energy dissipation of this reaction. Through the comparison with energy-angle correlation data in binary fissions, we preliminarily concluded that the rst fission of ternary fission was an extreme deep-inelastic process. We further analyzed the correlation of the total kinetic energy with impact parameters in both binary and ternary reactions, and found that the total energy of binary reactions systems was lost about 150 MeV more than ternary fission with small impact parameters, and with larger impact parameters the total energy of ternary reactions were lost 300 MeV more than binary reactions. (authors)

  18. Laser-induced incandescence: Towards quantitative soot volume fraction measurements

    Energy Technology Data Exchange (ETDEWEB)

    Tzannis, A P; Wienbeucker, F; Beaud, P; Frey, H -M; Gerber, T; Mischler, B; Radi, P P [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    Laser-Induced Incandescence has recently emerged as a versatile tool for measuring soot volume fraction in a wide range of combustion systems. In this work we investigate the essential features of the method. LII is based on the acquisition of the incandescence of soot when heated through a high power laser pulse. Initial experiments have been performed on a model laboratory flame. The behaviour of the LII signal is studied experimentally. By applying numerical calculations we investigate the possibility to obtain two-dimensional soot volume fraction distributions. For this purpose a combination of LII with other techniques is required. This part is discussed in some extent and the future work is outlined. (author) 4 figs., 3 refs.

  19. Food Processing: The Influence of the Maillard Reaction on Immunogenicity and Allergenicity of Food Proteins

    Science.gov (United States)

    Teodorowicz, Malgorzata; van Neerven, Joost

    2017-01-01

    The majority of foods that are consumed in our developed society have been processed. Processing promotes a non-enzymatic reaction between proteins and sugars, the Maillard reaction (MR). Maillard reaction products (MRPs) contribute to the taste, smell and color of many food products, and thus influence consumers’ choices. However, in recent years, MRPs have been linked to the increasing prevalence of diet- and inflammation-related non-communicable diseases including food allergy. Although during the last years a better understanding of immunogenicity of MRPs has been achieved, still only little is known about the structural/chemical characteristics predisposing MRPs to interact with antigen presenting cells (APCs). This report provides a comprehensive review of recent studies on the influence of the Maillard reaction on the immunogenicity and allergenicity of food proteins. PMID:28777346

  20. Numerical construction of the p(fold) (committor) reaction coordinate for a Markov process.

    Science.gov (United States)

    Krivov, Sergei V

    2011-10-06

    To simplify the description of a complex multidimensional dynamical process, one often projects it onto a single reaction coordinate. In protein folding studies, the folding probability p(fold) is an optimal reaction coordinate which preserves many important properties of the dynamics. The construction of the coordinate is difficult. Here, an efficient numerical approach to construct the p(fold) reaction coordinate for a Markov process (satisfying the detailed balance) is described. The coordinate is obtained by optimizing parameters of a chosen functional form to make a generalized cut-based free energy profile the highest. The approach is illustrated by constructing the p(fold) reaction coordinate for the equilibrium folding simulation of FIP35 protein reported by Shaw et al. (Science 2010, 330, 341-346). © 2011 American Chemical Society

  1. Food Processing: The Influence of the Maillard Reaction on Immunogenicity and Allergenicity of Food Proteins.

    Science.gov (United States)

    Teodorowicz, Malgorzata; van Neerven, Joost; Savelkoul, Huub

    2017-08-04

    The majority of foods that are consumed in our developed society have been processed. Processing promotes a non-enzymatic reaction between proteins and sugars, the Maillard reaction (MR). Maillard reaction products (MRPs) contribute to the taste, smell and color of many food products, and thus influence consumers' choices. However, in recent years, MRPs have been linked to the increasing prevalence of diet- and inflammation-related non-communicable diseases including food allergy. Although during the last years a better understanding of immunogenicity of MRPs has been achieved, still only little is known about the structural/chemical characteristics predisposing MRPs to interact with antigen presenting cells (APCs). This report provides a comprehensive review of recent studies on the influence of the Maillard reaction on the immunogenicity and allergenicity of food proteins.

  2. Isotope effects in gas-phase chemical reactions and photodissociation processes: Overview

    International Nuclear Information System (INIS)

    Kaye, J.A.

    1992-01-01

    The origins of isotope effects in equilibrium and non-equilibrium chemical processes are reviewed. In non-equilibrium processes, attention is given to isotope effects in simple bimolecular reactions, symmetry-related reactions, and photodissociation processes. Recent examples of isotope effects in these areas are reviewed. Some indication of other scientific areas for which measurements and/or calculations of isotope effects are used is also given. Examples presented focus on neutral molecule chemistry and in many cases complement examples considered in greater detail in the other chapters of this volume

  3. A Self-Propagating Foaming Process of Porous Al-Ni Intermetallics Assisted by Combustion Reactions

    Directory of Open Access Journals (Sweden)

    Makoto Kobashi

    2009-12-01

    Full Text Available The self-propagating foaming process of porous Al-Ni intermetallics was investigated. Aluminum and nickel powders were blended, and titanium and boron carbide powders were added as reactive exothermic agents. The blended powder was extruded to make a rod-shape precursor. Only one end of the rod precursor was heated to ignite the reaction. The reaction propagated spontaneously throughout the precursor. Pore formation took place at the same time as the reaction occurred. Adding the exothermic agent was effective to increase the porosity. Preheating the precursor before the ignition was also very effective to produce porous Al-Ni intermetallics with high porosity.

  4. The Maillard reaction and its control during food processing. The potential of emerging technologies.

    Science.gov (United States)

    Jaeger, H; Janositz, A; Knorr, D

    2010-06-01

    The Maillard reaction between reducing sugars and amino acids is a common reaction in foods which undergo thermal processing. Desired consequences like the formation of flavor and brown color of some cooked foods but also the destruction of essential amino acids and the production of anti-nutritive compounds require the consideration of the Maillard reaction and relevant mechanisms for its control. This paper aims to exemplify the recent advances in food processing with regard to the controllability of heat-induced changes in the food quality. Firstly, improved thermal technologies, such as ohmic heating, which allows direct heating of the product and overcoming the heat transfer limitations of conventional thermal processing are presented in terms of their applicability to reduce the thermal exposure during food preservation. Secondly, non-thermal technologies such as high hydrostatic pressure and pulsed electric fields and their ability to extend the shelf life of food products without the application of heat, thus also preserving the quality attributes of the food, will be discussed. Finally, an innovative method for the removal of Maillard reaction substrates in food raw materials by the application of pulsed electric field cell disintegration and extraction as well as enzymatic conversion is presented in order to demonstrate the potential of the combination of processes to control the occurrence of the Maillard reaction in food processing. (c) 2009 Elsevier Masson SAS. All rights reserved.

  5. Exploring dissipative processes at high angular momentum in 58Ni+60Ni reactions

    Directory of Open Access Journals (Sweden)

    Williams E.

    2016-01-01

    Full Text Available Current coupled channels (CC models treat fusion as a coherent quantum-mechanical process, in which coupling between the collective states of the colliding nuclei influences the probability of fusion in near-barrier reactions. While CC models have been used to successfully describe many experimental fusion barrier distribution (BD measurements, the CC approach has failed in the notable case of 16O+208Pb. The reason for this is poorly understood; however, it has been postulated that dissipative processes may play a role. Traditional BD experiments can only probe the physics of fusion for collisions at the top of the Coulomb barrier (L = 0ħ. In this work, we will present results using a novel method of probing dissipative processes inside the Coulomb barrier. The method exploits the predicted sharp onset of fission at L ~ 60ħ for reactions forming compound nuclei with A < 160. Using the ANU’s 14UD tandem accelerator and CUBE spectrometer, reaction outcomes have been measured for the 58Ni+60Ni reaction at a range of energies, in order to explore dissipative processes at high angular momentum. In this reaction, deep inelastic processes have been found to set in before the onset fission at high angular momentum following fusion. The results will be discussed in relation to the need for a dynamical model of fusion.

  6. New Nanotech from an Ancient Material: Chemistry Demonstrations Involving Carbon-Based Soot

    Science.gov (United States)

    Campbell, Dean J.; Andrews, Mark J.; Stevenson, Keith J.

    2012-01-01

    Carbon soot has been known since antiquity, but has recently been finding new uses as a robust, inexpensive nanomaterial. This paper describes the superhydrophobic properties of carbon soot films prepared by combustion of candle wax or propane gas and introduces some of the optical absorption and fluorescence properties of carbon soot particles.…

  7. Dual processing and organizational justice: the role of rational versus experiential processing in third-party reactions to workplace mistreatment.

    Science.gov (United States)

    Skarlicki, Daniel P; Rupp, Deborah E

    2010-09-01

    The moral perspective of justice proposes that when confronted by another person's mistreatment, third parties can experience a deontic response, that is, an evolutionary-based emotional reaction that motivates them to engage in retribution toward the transgressor. In this article, we tested whether the third party's deontic reaction is less strong when a rational (vs. experiential) processing frame is primed. Further, we tested whether third parties high (vs. low) in moral identity are more resistant to the effects of processing frames. Results from a sample of 185 French managers revealed that following an injustice, managers primed to use rational processing reported lower retribution tendencies compared with managers primed to use experiential processing. Third parties high in moral identity, however, were less affected by the framing; they reported a high retribution response regardless of processing frame. Theoretical and practical implications of these findings are discussed. Copyright 2010 APA, all rights reserved

  8. Intake condition requirements for biodiesel modulated kinetic combustion concept to achieve a simultaneous NOx and soot removal

    International Nuclear Information System (INIS)

    Kim, Keunsoo; Oh, Seungmook; Lee, Yonggyu; Lee, Sunyoup; Kim, Junghwan

    2015-01-01

    Highlights: • MK LTC combustion was investigated under various intake conditions. • BD20 MK combustion achieved NO x and soot removal at achievable intake conditions. • The BD20 best point showed lower ISFC and COV IMEP than the diesel best point. • Higher intake pressure showed higher efficiency at all intake oxygen concentrations. • Simultaneous NO x and soot removal required 200 kPa intake pressure at a medium load. - Abstract: The fuel oxygen contained in oxygenated fuels can help reduce harmful engine-out emissions and improve the combustion process in compression-ignition engines. The use of soybean methylene ether biodiesel in the low-temperature combustion (LTC) regime has the potential to suppress soot formation and nitrogen oxides (NO x ) emissions even further, which eventually alleviates the burden of the after-treatment system. In the present study, the effects of the intake pressure and injection timing on the combustion and emissions of the modulated kinetic (MK) combustion concept with ultra-low sulfur diesel and 20% biodiesel blended fuel (BD20) were investigated in a single-cylinder CI engine. The intake pressure was varied from 100 kPa to 250 kPa for the intake oxygen concentration range of 11–17%. The engine test results indicate that simultaneous reductions in both the NO x and soot emissions were realized under the MK LTC combustion regime. At the best operating point, BD20 achieved the simultaneous NO x and soot removal at a lower intake pressure and lower EGR level than diesel, which led to better fuel economy. In addition, BD20 achieved acceptable levels of combustion stability and noise level

  9. Reaction time, processing speed and sustained attention in schizophrenia: impact on social functioning.

    Science.gov (United States)

    Lahera, Guillermo; Ruiz, Alicia; Brañas, Antía; Vicens, María; Orozco, Arantxa

    Previous studies have linked processing speed with social cognition and functioning of patients with schizophrenia. A discriminant analysis is needed to determine the different components of this neuropsychological construct. This paper analyzes the impact of processing speed, reaction time and sustained attention on social functioning. 98 outpatients between 18 and 65 with DSM-5 diagnosis of schizophrenia, with a period of 3 months of clinical stability, were recruited. Sociodemographic and clinical data were collected, and the following variables were measured: processing speed (Trail Making Test [TMT], symbol coding [BACS], verbal fluency), simple and elective reaction time, sustained attention, recognition of facial emotions and global functioning. Processing speed (measured only through the BACS), sustained attention (CPT) and elective reaction time (but not simple) were associated with functioning. Recognizing facial emotions (FEIT) correlated significantly with scores on measures of processing speed (BACS, Animals, TMT), sustained attention (CPT) and reaction time. The linear regression model showed a significant relationship between functioning, emotion recognition (P=.015) and processing speed (P=.029). A deficit in processing speed and facial emotion recognition are associated with worse global functioning in patients with schizophrenia. Copyright © 2017 SEP y SEPB. Publicado por Elsevier España, S.L.U. All rights reserved.

  10. A kinetic reaction model for biomass pyrolysis processes in Aspen Plus

    International Nuclear Information System (INIS)

    Peters, Jens F.; Banks, Scott W.; Bridgwater, Anthony V.; Dufour, Javier

    2017-01-01

    Highlights: • Predictive kinetic reaction model applicable to any lignocellulosic feedstock. • Calculates pyrolysis yields and product composition as function of reactor conditions. • Detailed modelling of product composition (33 model compounds for the bio-oil). • Good agreement with literature regarding yield curves and product composition. • Successful validation with pyrolysis experiments in bench scale fast pyrolysis rig. - Abstract: This paper presents a novel kinetic reaction model for biomass pyrolysis processes. The model is based on the three main building blocks of lignocellulosic biomass, cellulose, hemicellulose and lignin and can be readily implemented in Aspen Plus and easily adapted to other process simulation software packages. It uses a set of 149 individual reactions that represent the volatilization, decomposition and recomposition processes of biomass pyrolysis. A linear regression algorithm accounts for the secondary pyrolysis reactions, thus allowing the calculation of slow and intermediate pyrolysis reactions. The bio-oil is modelled with a high level of detail, using up to 33 model compounds, which allows for a comprehensive estimation of the properties of the bio-oil and the prediction of further upgrading reactions. After showing good agreement with existing literature data, our own pyrolysis experiments are reported for validating the reaction model. A beech wood feedstock is subjected to pyrolysis under well-defined conditions at different temperatures and the product yields and compositions are determined. Reproducing the experimental pyrolysis runs with the simulation model, a high coincidence is found for the obtained fraction yields (bio-oil, char and gas), for the water content and for the elemental composition of the pyrolysis products. The kinetic reaction model is found to be suited for predicting pyrolysis yields and product composition for any lignocellulosic biomass feedstock under typical pyrolysis conditions

  11. Automated determination of size and morphology information from soot transmission electron microscope (TEM)-generated images

    International Nuclear Information System (INIS)

    Wang, Cheng; Chan, Qing N.; Zhang, Renlin; Kook, Sanghoon; Hawkes, Evatt R.; Yeoh, Guan H.; Medwell, Paul R.

    2016-01-01

    The thermophoretic sampling of particulates from hot media, coupled with transmission electron microscope (TEM) imaging, is a combined approach that is widely used to derive morphological information. The identification and the measurement of the particulates, however, can be complex when the TEM images are of low contrast, noisy, and have non-uniform background signal level. The image processing method can also be challenging and time consuming, when the samples collected have large variability in shape and size, or have some degree of overlapping. In this work, a three-stage image processing sequence is presented to facilitate time-efficient automated identification and measurement of particulates from the TEM grids. The proposed processing sequence is first applied to soot samples that were thermophoretically sampled from a laminar non-premixed ethylene-air flame. The parameter values that are required to be set to facilitate the automated process are identified, and sensitivity of the results to these parameters is assessed. The same analysis process is also applied to soot samples that were acquired from an externally irradiated laminar non-premixed ethylene-air flame, which have different geometrical characteristics, to assess the morphological dependence of the proposed image processing sequence. Using the optimized parameter values, statistical assessments of the automated results reveal that the largest discrepancies that are associated with the estimated values of primary particle diameter, fractal dimension, and prefactor values of the aggregates for the tested cases, are approximately 3, 1, and 10 %, respectively, when compared with the manual measurements.

  12. Automated determination of size and morphology information from soot transmission electron microscope (TEM)-generated images

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Cheng; Chan, Qing N., E-mail: qing.chan@unsw.edu.au; Zhang, Renlin; Kook, Sanghoon; Hawkes, Evatt R.; Yeoh, Guan H. [UNSW, School of Mechanical and Manufacturing Engineering (Australia); Medwell, Paul R. [The University of Adelaide, Centre for Energy Technology (Australia)

    2016-05-15

    The thermophoretic sampling of particulates from hot media, coupled with transmission electron microscope (TEM) imaging, is a combined approach that is widely used to derive morphological information. The identification and the measurement of the particulates, however, can be complex when the TEM images are of low contrast, noisy, and have non-uniform background signal level. The image processing method can also be challenging and time consuming, when the samples collected have large variability in shape and size, or have some degree of overlapping. In this work, a three-stage image processing sequence is presented to facilitate time-efficient automated identification and measurement of particulates from the TEM grids. The proposed processing sequence is first applied to soot samples that were thermophoretically sampled from a laminar non-premixed ethylene-air flame. The parameter values that are required to be set to facilitate the automated process are identified, and sensitivity of the results to these parameters is assessed. The same analysis process is also applied to soot samples that were acquired from an externally irradiated laminar non-premixed ethylene-air flame, which have different geometrical characteristics, to assess the morphological dependence of the proposed image processing sequence. Using the optimized parameter values, statistical assessments of the automated results reveal that the largest discrepancies that are associated with the estimated values of primary particle diameter, fractal dimension, and prefactor values of the aggregates for the tested cases, are approximately 3, 1, and 10 %, respectively, when compared with the manual measurements.

  13. Reaction time for processing visual stimulus in a computer-assisted rehabilitation environment.

    Science.gov (United States)

    Sanchez, Yerly; Pinzon, David; Zheng, Bin

    2017-10-01

    To examine the reaction time when human subjects process information presented in the visual channel under both a direct vision and a virtual rehabilitation environment when walking was performed. Visual stimulus included eight math problems displayed on the peripheral vision to seven healthy human subjects in a virtual rehabilitation training (computer-assisted rehabilitation environment (CAREN)) and a direct vision environment. Subjects were required to verbally report the results of these math calculations in a short period of time. Reaction time measured by Tobii Eye tracker and calculation accuracy were recorded and compared between the direct vision and virtual rehabilitation environment. Performance outcomes measured for both groups included reaction time, reading time, answering time and the verbal answer score. A significant difference between the groups was only found for the reaction time (p = .004). Participants had more difficulty recognizing the first equation of the virtual environment. Participants reaction time was faster in the direct vision environment. This reaction time delay should be kept in mind when designing skill training scenarios in virtual environments. This was a pilot project to a series of studies assessing cognition ability of stroke patients who are undertaking a rehabilitation program with a virtual training environment. Implications for rehabilitation Eye tracking is a reliable tool that can be employed in rehabilitation virtual environments. Reaction time changes between direct vision and virtual environment.

  14. Effect of reaction solvent on hydroxyapatite synthesis in sol-gel process

    Science.gov (United States)

    Nazeer, Muhammad Anwaar; Yilgor, Emel; Yagci, Mustafa Baris; Unal, Ugur; Yilgor, Iskender

    2017-12-01

    Synthesis of hydroxyapatite (HA) through sol-gel process in different solvent systems is reported. Calcium nitrate tetrahydrate (CNTH) and diammonium hydrogen phosphate (DAHP) were used as calcium and phosphorus precursors, respectively. Three different synthesis reactions were carried out by changing the solvent media, while keeping all other process parameters constant. A measure of 0.5 M aqueous DAHP solution was used in all reactions while CNTH was dissolved in distilled water, tetrahydrofuran (THF) and N,N-dimethylformamide (DMF) at a concentration of 0.5 M. Ammonia solution (28-30%) was used to maintain the pH of the reaction mixtures in the 10-12 range. All reactions were carried out at 40 ± 2°C for 4 h. Upon completion of the reactions, products were filtered, washed and calcined at 500°C for 2 h. It was clearly demonstrated through various techniques that the dielectric constant and polarity of the solvent mixture strongly influence the chemical structure and morphological properties of calcium phosphate synthesized. Water-based reaction medium, with highest dielectric constant, mainly produced β-calcium pyrophosphate (β-CPF) with a minor amount of HA. DMF/water system yielded HA as the major phase with a very minor amount of β-CPF. THF/water solvent system with the lowest dielectric constant resulted in the formation of pure HA.

  15. Uniform lateral etching of tungsten in deep trenches utilizing reaction-limited NF3 plasma process

    Science.gov (United States)

    Kofuji, Naoyuki; Mori, Masahito; Nishida, Toshiaki

    2017-06-01

    The reaction-limited etching of tungsten (W) with NF3 plasma was performed in an attempt to achieve the uniform lateral etching of W in a deep trench, a capability required by manufacturing processes for three-dimensional NAND flash memory. Reaction-limited etching was found to be possible at high pressures without ion irradiation. An almost constant etching rate that showed no dependence on NF3 pressure was obtained. The effect of varying the wafer temperature was also examined. A higher wafer temperature reduced the threshold pressure for reaction-limited etching and also increased the etching rate in the reaction-limited region. Therefore, the control of the wafer temperature is crucial to controlling the etching amount by this method. We found that the uniform lateral etching of W was possible even in a deep trench where the F radical concentration was low.

  16. Accurate numerical simulation of reaction-diffusion processes for heavy oil recovery

    Energy Technology Data Exchange (ETDEWEB)

    Govind, P.A.; Srinivasan, S. [Society of Petroleum Engineers, Richardson, TX (United States)]|[Texas Univ., Austin, TX (United States)

    2008-10-15

    This study evaluated a reaction-diffusion simulation tool designed to analyze the displacement of carbon dioxide (CO{sub 2}) in a simultaneous injection of carbon dioxide and elemental sodium in a heavy oil reservoir. Sodium was used due to the exothermic reaction of sodium with in situ that occurs when heat is used to reduce oil viscosity. The process also results in the formation of sodium hydroxide that reduces interfacial tension at the bitumen interface. A commercial simulation tool was used to model the sodium transport mechanism to the reaction interface through diffusion as well as the reaction zone's subsequent displacement. The aim of the study was to verify if the in situ reaction was able to generate sufficient heat to reduce oil viscosity and improve the displacement of the heavy oil. The study also assessed the accuracy of the reaction front simulation tool, in which an alternate method was used to model the propagation front as a moving heat source. The sensitivity of the simulation results were then evaluated in relation to the diffusion coefficient in order to understand the scaling characteristics of the reaction-diffusion zone. A pore-scale simulation was then up-scaled to grid blocks. Results of the study showed that when sodium suspended in liquid CO{sub 2} is injected into reservoirs, it diffuses through the carrier phase and interacts with water. A random walk diffusion algorithm with reactive dissipation was implemented to more accurately characterize reaction and diffusion processes. It was concluded that the algorithm modelled physical dispersion while neglecting the effect of numerical dispersion. 10 refs., 3 tabs., 24 figs.

  17. Potassium and soot interaction in fast biomass pyrolysis at high temperatures

    DEFF Research Database (Denmark)

    Trubetskaya, Anna; Hofmann Larsen, Flemming; Shchukarev, Andrey

    2018-01-01

    2 reactivity was studied by thermogravimetric analysis. The XPS results showed that potassium incorporation with oxygen-containing surface groups in the soot matrix did not occur during high temperature pyrolysis. The potassium was mostly found as water-soluble salts such as KCl, KOH, KHCO3 and K2CO...... potassium amount was incorporated in the soot matrix during pyrolysis. Raman spectroscopy results showed that the carbon chemistry of biomass soot also affected the CO2 reactivity. The less reactive pinewood soot was more graphitic than herbaceous biomass soot samples with the disordered carbon structure...

  18. Exact substitute processes for diffusion-reaction systems with local complete exclusion rules

    International Nuclear Information System (INIS)

    Schulz, Michael; Reineker, Peter

    2005-01-01

    Lattice systems with one species diffusion-reaction processes under local complete exclusion rules are studied analytically starting from the usual master equations with discrete variables and their corresponding representation in a Fock space. On this basis, a formulation of the transition probability as a Grassmann path integral is derived in a straightforward manner. It will be demonstrated that this Grassmann path integral is equivalent to a set of Ito stochastic differential equations. Averages of arbitrary variables and correlation functions of the underlying diffusion-reaction system can be expressed as weighted averages over all solutions of the system of stochastic differential equations. Furthermore, these differential equations are equivalent to a Fokker-Planck equation describing the probability distribution of the actual Ito solutions. This probability distribution depends on continuous variables in contrast to the original master equation, and their stochastic dynamics may be interpreted as a substitute process which is completely equivalent to the original lattice dynamics. Especially, averages and correlation functions of the continuous variables are connected to the corresponding lattice quantities by simple relations. Although the substitute process for diffusion-reaction systems with exclusion rules has some similarities to the well-known substitute process for the same system without exclusion rules, there exists a set of remarkable differences. The given approach is not only valid for the discussed single-species processes. We give sufficient arguments to show that arbitrary combinations of unimolecular and bimolecular lattice reactions under complete local exclusions may be described in terms of our approach

  19. Visualizing the mobility of silver during catalytic soot oxidation

    DEFF Research Database (Denmark)

    Gardini, Diego; Christensen, Jakob M.; Damsgaard, Christian Danvad

    2016-01-01

    The catalytic activity and mobility of silver nanoparticles used as catalysts in temperature programmed oxidation of soot:silver (1:5 wt:wt) mixtures have been investigated by means of flow reactor experiments and in situ environmental transmission electron microscopy (ETEM). The carbon oxidation...

  20. Sooting behavior of oxygenated fuels in a diffusion burner

    NARCIS (Netherlands)

    Boot, M.D.; Luijten, C.C.M.; Baert, R.S.G.; Edenhofer, R.; Dirks, H.; Lucka, K.; Köhne, H.

    2009-01-01

    Different strategies are being investigated towards reducing engine-out emission levels of soot and NOx of modern Diesel engines. A fuel-based strategy currently under investigation, entails the use of low cetane number (CN; i.e.low reactive) oxygenates. Previous research has shown that low CN

  1. Comparison of the Raman spectra of ion irradiated soot and collected extraterrestrial carbon

    Science.gov (United States)

    Brunetto, R.; Pino, T.; Dartois, E.; Cao, A.-T.; d'Hendecourt, L.; Strazzulla, G.; Bréchignac, Ph.

    2009-03-01

    We use a low pressure flame to produce soot by-products as possible analogues of the carbonaceous dust present in diverse astrophysical environments, such as circumstellar shells, diffuse interstellar medium, planetary disks, as well as in our own Solar System. Several soot samples, displaying an initial chemical diversity from aromatic to aliphatic dominated material, are irradiated with 200-400 keV H +, He +, and Ar ++ ions, with fluences comprised between 10 14 and 10 16 ions/cm 2, to simulate expected radiation induced modification on extraterrestrial carbon. The evolution of the samples is monitored using Raman spectroscopy, before, during, and after irradiation. A detailed analysis of the first- and second-order Raman spectra is performed, using a fitting combination of Lorentzian and/or Gaussian-shaped bands. Upon irradiation, the samples evolve toward an amorphous carbon phase. The results suggest that the observed variations are more related to vacancy formation than ionization processes. A comparison with Raman spectra of extraterrestrial organic matter and other irradiation experiments of astrophysically relevant carbonaceous materials is presented. The results are consistent with previous experiments showing mostly amorphization of various carbonaceous materials. Irradiated soots have Raman spectra similar to those of some meteorites, IDPs, and Comet Wild 2 grains collected by the Stardust mission. Since the early-Sun expected irradiation fluxes sufficient for amorphization are compatible with accretion timescales, our results support the idea that insoluble organic matter (IOM) observed in primitive meteorites has experienced irradiation-induced amorphization prior to the accretion of the parent bodies, emphasizing the important role played by early solar nebula processing.

  2. Reaction probability derived from an interpolation formula for diffusion processes with an absorptive boundary condition

    International Nuclear Information System (INIS)

    Misawa, T.; Itakura, H.

    1995-01-01

    The present article focuses on a dynamical simulation of molecular motion in liquids. In the simulation involving diffusion-controlled reaction with discrete time steps, lack of information regarding the trajectory within the time step may result in a failure to count the number of reactions of the particles within the step. In order to rectify this, an interpolated diffusion process is used. The process is derived from a stochastic interpolation formula recently developed by the first author [J. Math. Phys. 34, 775 (1993)]. In this method, the probability that reaction has occurred during the time step given the initial and final positions of the particles is calculated. Some numerical examples confirm that the theoretical result corresponds to an improvement over the Clifford-Green work [Mol. Phys. 57, 123 (1986)] on the same matter

  3. Alpha-induced reaction cross section measurements on 151Eu for the astrophysical γ-process

    International Nuclear Information System (INIS)

    Gyuerky, Gy.; Elekes, Z.; Farkas, J.; Fueloep, Zs.; Halasz, Z.; Kiss, G.G.; Somorjai, E.; Szuecs, T.; Gueraya, R.T.; Oezkana, N.

    2010-01-01

    Compete text of publication follows. The astrophysical γ-process is the main production mechanism of the p-isotopes, the heavy, proton-rich nuclei not produced by neutron capture reactions in the astrophysical sand r-processes. The γ-process is a poorly known process of nucleosynthesis, the models are not able to reproduce well the p-isotope abundances observed in nature. Experimental data on nuclear reactions involved in γ-process reaction networks are clearly needed to provide input for a more reliable γ-process network calculation. As a continuation of our systematic study of reactions relevant for the γ-process, the cross sections of the 151 Eu(α, γ) 155 Tb and 151 Eu(α,n) 154 Tb reactions have been measured. These reactions have been chosen because α-induced cross section data in the region of heavy p-isotopes are almost completely missing although the calculations show a strong influence of these cross section on the resulting abundances. Since the reaction products of both reactions are radioactive, the cross sections have been measured using the activation technique. The targets have been prepared by evaporating Eu 2 O 3 enriched to 99.2% in 151 Eu onto thin Al foils. The target thicknesses have been measured by weighing and Rutherford Backscattering Spectroscopy. The targets have been irradiated by typically 1-2 μA intensity α-beams from the cyclotron of ATOMKI. The investigated energy range between 12 and 17 MeV was covered with 0.5 MeV steps. This energy range is somewhat higher than the astrophysically relevant one, but the cross section at astrophysical energies is so low that the measurements are not possible there. The γ- activity of the reaction products has been measured by a shielded HPGe detector. The absolute efficiency of the detector was measured with several calibration sources. Since 154 Tb has two long lived isomeric states, partial cross sections of the 151 Eu(α,n) 154 Tb reaction leading to the ground and isomeric states

  4. Fragmentation and bond strength of airborne diesel soot agglomerates

    Directory of Open Access Journals (Sweden)

    Messerer Armin

    2008-06-01

    Full Text Available Abstract Background The potential of diesel soot aerosol particles to break up into smaller units under mechanical stress was investigated by a direct impaction technique which measures the degree of fragmentation of individual agglomerates vs. impact energy. Diesel aerosol was generated by an idling diesel engine used for passenger vehicles. Both the aerosol emitted directly and aerosol that had undergone additional growth by Brownian coagulation ("aging" was investigated. Optionally a thermo-desoption technique at 280°C was used to remove all high-volatility and the majority of low-volatility HC adsorbates from the aerosol before aging. Results It was found that the primary soot agglomerates emitted directly from the engine could not be fragmented at all. Soot agglomerates permitted to grow additionally by Brownian coagulation of the primary emitted particles could be fragmented to a maximum of 75% and 60% respectively, depending on whether adsorbates were removed from their surface prior to aging or not. At most, these aged agglomerates could be broken down to roughly the size of the agglomerates from the primary emission. The energy required for a 50% fragmentation probability of all bonds within an agglomerate was reduced by roughly a factor of 2 when aging "dry" agglomerates. Average bond energies derived from the data were 0.52*10-16 and 1.2*10-16 J, respectively. This is about 2 orders of magnitude higher than estimates for pure van-der-Waals agglomerates, but agrees quite well with other observations. Conclusion Although direct conclusions regarding the behavior of inhaled diesel aerosol in contact with body fluids cannot be drawn from such measurements, the results imply that highly agglomerated soot aerosol particles are unlikely to break up into units smaller than roughly the size distribution emitted as tail pipe soot.

  5. Fragmentation and bond strength of airborne diesel soot agglomerates

    Science.gov (United States)

    Rothenbacher, Sonja; Messerer, Armin; Kasper, Gerhard

    2008-01-01

    Background The potential of diesel soot aerosol particles to break up into smaller units under mechanical stress was investigated by a direct impaction technique which measures the degree of fragmentation of individual agglomerates vs. impact energy. Diesel aerosol was generated by an idling diesel engine used for passenger vehicles. Both the aerosol emitted directly and aerosol that had undergone additional growth by Brownian coagulation ("aging") was investigated. Optionally a thermo-desoption technique at 280°C was used to remove all high-volatility and the majority of low-volatility HC adsorbates from the aerosol before aging. Results It was found that the primary soot agglomerates emitted directly from the engine could not be fragmented at all. Soot agglomerates permitted to grow additionally by Brownian coagulation of the primary emitted particles could be fragmented to a maximum of 75% and 60% respectively, depending on whether adsorbates were removed from their surface prior to aging or not. At most, these aged agglomerates could be broken down to roughly the size of the agglomerates from the primary emission. The energy required for a 50% fragmentation probability of all bonds within an agglomerate was reduced by roughly a factor of 2 when aging "dry" agglomerates. Average bond energies derived from the data were 0.52*10-16 and 1.2*10-16 J, respectively. This is about 2 orders of magnitude higher than estimates for pure van-der-Waals agglomerates, but agrees quite well with other observations. Conclusion Although direct conclusions regarding the behavior of inhaled diesel aerosol in contact with body fluids cannot be drawn from such measurements, the results imply that highly agglomerated soot aerosol particles are unlikely to break up into units smaller than roughly the size distribution emitted as tail pipe soot. PMID:18533015

  6. Reaction calorimetry for the development of ultrasound-induced polymerization processes in CO2-expanded fluids

    NARCIS (Netherlands)

    Kemmere, M.F.; Kuijpers, M.W.A.; Keurentjes, J.T.F.

    2007-01-01

    A strong viscosity increase upon polymn. hinders radical formation during an ultrasound-induced bulk polymn. Since CO2 acts as a strong anti-solvent for most polymers, it can be used to reduce the viscosity of the reaction mixt. In this work, a process for the ultrasound-induced polymn. in

  7. An efficient synthesis of isocoumarins via a CuI catalyzed cascade reaction process

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    3-Alkyl isocoumarins are provided by CuI/amino acid-catalyzed Sonogashira coupling reaction of o-bromo benzoic acids and terminal alkynes and the subsequent additive cyclization. This cascade process allows synthesis of diverse isocoumarins by varying both coupling partners bearing a wide range of functional groups.

  8. Processing of Emotion Words by Patients with Autism Spectrum Disorders: Evidence from Reaction Times and EEG

    Science.gov (United States)

    Lartseva, Alina; Dijkstra, Ton; Kan, Cornelis C.; Buitelaar, Jan K.

    2014-01-01

    This study investigated processing of emotion words in autism spectrum disorders (ASD) using reaction times and event-related potentials (ERP). Adults with (n = 21) and without (n = 20) ASD performed a lexical decision task on emotion and neutral words while their brain activity was recorded. Both groups showed faster responses to emotion words…

  9. Safer operating conditions and optimal scaling-up process for cyclohexanone peroxide reaction

    International Nuclear Information System (INIS)

    Zang, Na; Qian, Xin-Ming; Liu, Zhen-Yi; Shu, Chi-Min

    2015-01-01

    Highlights: • Thermal hazard of cyclohexanone peroxide reaction was measured by experimental techniques. • Levenberg–Marquardt algorithm was adopted to evaluate kinetic parameters. • Safer operating conditions at laboratory scale were acquired by BDs and TDs. • The verified safer operating conditions were used to obtain the optimal scale-up parameters applied in industrial plants. - Abstract: The cyclohexanone peroxide reaction process, one of the eighteen hazardous chemical processes identified in China, is performed in indirectly cooled semibatch reactors. The peroxide reaction is added to a mixture of hydrogen peroxide and nitric acid, which form heterogeneous liquid–liquid systems. A simple and general procedure for building boundary and temperature diagrams of peroxide process is given here to account for the overall kinetic expressions. Such a procedure has been validated by comparison with experimental data. Thermally safer operating parameters were obtained at laboratory scale, and the scaled-up procedure was performed to give the minimum dosing time in an industrial plant, which is in favor of maximizing industrial reactor productivity. The results are of great significance for governing the peroxide reaction process apart from the thermal runaway region. It also greatly aids in determining optimization on operating parameters in industrial plants.

  10. Using Drawing Technology to Assess Students' Visualizations of Chemical Reaction Processes

    Science.gov (United States)

    Chang, Hsin-Yi; Quintana, Chris; Krajcik, Joseph

    2014-01-01

    In this study, we investigated how students used a drawing tool to visualize their ideas of chemical reaction processes. We interviewed 30 students using thinking-aloud and retrospective methods and provided them with a drawing tool. We identified four types of connections the students made as they used the tool: drawing on existing knowledge,…

  11. Process Intensification. Continuous Two-Phase Catalytic Reactions in a Table-Top Centrifugal Contact Separator

    NARCIS (Netherlands)

    Kraai, Gerard N.; Schuur, Boelo; van Zwol, Floris; Haak, Robert M.; Minnaard, Adriaan J.; Feringa, Ben L.; Heeres, Hero J.; de Vries, Johannes G.; Prunier, ML

    2009-01-01

    Production of fine chemicals is mostly performed in batch reactors. Use of continuous processes has many advantages which may reduce the cost of production. We have developed the use of centrifugal contact separators (CCSs) for continuous two-phase catalytic reactions. This equipment has previously

  12. Relativistic thermodynamics of irreversible processes I. Heat conduction, diffusion, viscous flow and chemical reactions; formal part

    NARCIS (Netherlands)

    Kluitenberg, G.A.; Groot, S.R. de; Mazur, P.

    1953-01-01

    The relativistic thermodynamics of irreversible processes is developed for an isotropic mixture in which heat conduction, diffusion, viscous flow, chemical reactions and their cross-phenomena may occur. The four-vectors, representing the relative flows of matter, are defined in such a way that, in

  13. Molecular Characterization of the Gas-Particle Interface of Soot Sampled from a Diesel Engine Using a Titration Method.

    Science.gov (United States)

    Tapia, A; Salgado, M S; Martín, María Pilar; Lapuerta, M; Rodríguez-Fernández, J; Rossi, M J; Cabañas, B

    2016-03-15

    Surface functional groups of two different types of combustion aerosols, a conventional diesel (EN 590) and a hydrotreated vegetable oil (HVO) soot, have been investigated using heterogeneous chemistry (i.e., gas-particle surface reactions). A commercial sample of amorphous carbon (Printex XE2-B) was analyzed as a reference substrate. A Knudsen flow reactor was used to carry out the experiments under molecular flow conditions. The selected gases for the titration experiments were: N(CH3)3 for the identification of acidic sites, NH2OH for the presence of carbonyl groups, CF3COOH and HCl for basic sites of different strength, and O3 and NO2 for reducing groups. Reactivity with N(CH3)3 indicates a lower density of acidic functionalities for Printex XE2-B in relation to diesel and HVO soot. Results for NH2OH experiments indicates that commercial amorphous carbon exhibits a lower abundance of available carbonyl groups at the interface compared to the results from diesel and HVO soot, the latter being the one with the largest abundance of carbonyl functions. Reactions with acids indicate the presence of weak basic oxides on the particle surface that preferentially interact with the strong acid CF3COOH. Finally, reactions with O3 and NO2 reveal that diesel and especially HVO have a significantly higher reactivity with both oxidizers compared to that of Printex XE2-B because they have more reducing sites by roughly a factor of 10 and 30, respectively. The kinetics of titration reactions have also been investigated.

  14. Visual but not motor processes predict simple visuomotor reaction time of badminton players.

    Science.gov (United States)

    Hülsdünker, Thorben; Strüder, Heiko K; Mierau, Andreas

    2018-03-01

    The athlete's brain exhibits significant functional adaptations that facilitate visuomotor reaction performance. However, it is currently unclear if the same neurophysiological processes that differentiate athletes from non-athletes also determine performance within a homogeneous group of athletes. This information can provide valuable help for athletes and coaches aiming to optimize existing training regimes. Therefore, this study aimed to identify the neurophysiological correlates of visuomotor reaction performance in a group of skilled athletes. In 36 skilled badminton athletes, electroencephalography (EEG) was used to investigate pattern reversal and motion onset visual-evoked potentials (VEPs) as well as visuomotor reaction time (VMRT) during a simple reaction task. Stimulus-locked and response-locked event-related potentials (ERPs) in visual and motor regions as well as the onset of muscle activation (EMG onset) were determined. Correlation and multiple regression analyses identified the neurophysiological parameters predicting EMG onset and VMRT. For pattern reversal stimuli, the P100 latency and age best predicted EMG onset (r = 0.43; p = .003) and VMRT (r = 0.62; p = .001). In the motion onset experiment, EMG onset (r = 0.80; p badminton players while motor-related processes, although differentiating athletes from non-athletes, are not associated simple with visuomotor reaction performance.

  15. Continuous-flow processes for the catalytic partial hydrogenation reaction of alkynes

    Directory of Open Access Journals (Sweden)

    Carmen Moreno-Marrodan

    2017-04-01

    Full Text Available The catalytic partial hydrogenation of substituted alkynes to alkenes is a process of high importance in the manufacture of several market chemicals. The present paper shortly reviews the heterogeneous catalytic systems engineered for this reaction under continuous flow and in the liquid phase. The main contributions appeared in the literature from 1997 up to August 2016 are discussed in terms of reactor design. A comparison with batch and industrial processes is provided whenever possible.

  16. Importance of $1n$-stripping process in the $^{6}$Li+$^{159}$Tb reaction

    OpenAIRE

    Pradhan, M. K.; Mukherjee, A.; Roy, Subinit; Basu, P.; Goswami, A.; Kshetri, R.; Palit, R.; Parkar, V. V.; Ray, M.; Sarkar, M. Saha; Santra, S.

    2013-01-01

    The inclusive cross sections of the $\\alpha$-particles produced in the reaction $^{6}$Li+$^{159}$Tb have been measured at energies around the Coulomb barrier. The measured cross sections are found to be orders of magnitude larger than the calculated cross sections of $^{6}$Li breaking into $\\alpha$ and $d$ fragments, thus indicating contributions from other processes. The experimental cross sections of $1n$-stripping and $1n$-pickup processes have been determined from an entirely different me...

  17. Design of an embedded inverse-feedforward biomolecular tracking controller for enzymatic reaction processes

    OpenAIRE

    Foo, Mathias; Kim, Jongrae; Sawlekar, Rucha; Bates, Declan G.

    2017-01-01

    Feedback control is widely used in chemical engineering to improve the performance and robustness of chemical processes. Feedback controllers require a ‘subtractor’ that is able to compute the error between the process output and the reference signal. In the case of embedded biomolecular control circuits, subtractors designed using standard chemical reaction network theory can only realise one-sided subtraction, rendering standard controller design approaches inadequate. Here, we show how a b...

  18. Reaction-diffusion processes in zero transverse dimensions as toy models for high-energy QCD

    International Nuclear Information System (INIS)

    Armesto, Nestor; Bondarenko, Sergey; Quiroga-Arias, Paloma; Milhano, Jose Guilherme

    2008-01-01

    We examine numerically different zero-dimensional reaction-diffusion processes as candidate toy models for high-energy QCD evolution. Of the models examined-Reggeon Field Theory, Directed Percolation and Reversible Processes-only the latter shows the behaviour commonly expected, namely an increase of the scattering amplitude with increasing rapidity. Further, we find that increasing recombination terms, quantum loops and the heuristic inclusion of a running of the couplings, generically slow down the evolution.

  19. Reaction Mechanism and Distribution Behavior of Arsenic in the Bottom Blown Copper Smelting Process

    Directory of Open Access Journals (Sweden)

    Qinmeng Wang

    2017-08-01

    Full Text Available The control of arsenic, a toxic and carcinogenic element, is an important issue for all copper smelters. In this work, the reaction mechanism and distribution behavior of arsenic in the bottom blown copper smelting process (SKS process were investigated and compared to the flash smelting process. There are obvious differences of arsenic distribution in the SKS process and flash process, resulting from the differences of oxygen potentials, volatilizations, smelting temperatures, reaction intensities, and mass transfer processes. Under stable production conditions, the distributions of arsenic among matte, slag, and gas phases are 6%, 12%, and 82%, respectively. Less arsenic is reported in the gas phase with the flash process than with the SKS process. The main arsenic species in gas phase are AsS (g, AsO (g, and As2 (g. Arsenic exists in the slag predominantly as As2O3 (l, and in matte as As (l. High matte grade is harmful to the elimination of arsenic to gas. The changing of Fe/SiO2 has slight effects on the distributions of arsenic. In order to enhance the removal of arsenic from the SKS smelting system to the gas phase, low oxygen concentration, low ratios of oxygen/ore, and low matte grade should be chosen. In the SKS smelting process, no dust is recycled, and almost all dust is collected and further treated to eliminate arsenic and recover valuable metals by other process streams.

  20. Using Multiscale Modeling to Study Coupled Flow, Transport, Reaction and Biofilm Growth Processes in Porous Media

    Science.gov (United States)

    Valocchi, A. J.; Laleian, A.; Werth, C. J.

    2017-12-01

    Perturbation of natural subsurface systems by fluid inputs may induce geochemical or microbiological reactions that change porosity and permeability, leading to complex coupled feedbacks between reaction and transport processes. Some examples are precipitation/dissolution processes associated with carbon capture and storage and biofilm growth associated with contaminant transport and remediation. We study biofilm growth due to mixing controlled reaction of multiple substrates. As biofilms grow, pore clogging occurs which alters pore-scale flow paths thus changing the mixing and reaction. These interactions are challenging to quantify using conventional continuum-scale porosity-permeability relations. Pore-scale models can accurately resolve coupled reaction, biofilm growth and transport processes, but modeling at this scale is not feasible for practical applications. There are two approaches to address this challenge. Results from pore-scale models in generic pore structures can be used to develop empirical relations between porosity and continuum-scale parameters, such as permeability and dispersion coefficients. The other approach is to develop a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled by a suitable method that ensures continuity of flux across the interface. Thus, regions of high reactivity where flow alteration occurs are resolved at the pore scale for accuracy while regions of low reactivity are resolved at the continuum scale for efficiency. This approach thus avoids the need for empirical upscaling relations in regions with strong feedbacks between reaction and porosity change. We explore and compare these approaches for several two-dimensional cases.

  1. Effects of Maillard reaction on allergenicity of buckwheat allergen Fag t 3 during thermal processing.

    Science.gov (United States)

    Yang, Zhen-Huang; Li, Chen; Li, Yu-Ying; Wang, Zhuan-Hua

    2013-04-01

    Fag t 3 is a major allergenic protein in tartary buckwheat. The Maillard reaction commonly occurs in food processing, but few studies have been conducted on the influence of thermal processing on the allergenic potential of buckwheat allergen. The aim of the present study was to investigate the effects of autologous plant polysaccharides on the immunoreactivity of buckwheat Fag t 3 (11S globulin) following the Maillard reaction. Fag t 3 and crude polysaccharides were prepared from tartary buckwheat (Fagopyrum tataricum) flour. After heating, the polysaccharides were covalently linked to Fag t 3 via a Maillard reaction, and the IgE/IgG-binding properties of Fag t 3 decreased dramatically, with significant changes also being observed in the electrophoretic mobility, secondary structure and solubility of the glycated Fag t 3. The great influence of glycation on IgE/IgG binding to Fag t 3 was correlated with a significant change in the structure and epitopes of the allergenic protein. These data indicated that conjugation of polysaccharides to Fag t 3 markedly reduced the allergen's immunoreactivity. Glycation that occurs via the Maillard reaction during the processing of buckwheat food may be an efficient method to reduce Fag t 3 allergenicity. © 2012 Society of Chemical Industry.

  2. T-matrix modeling of linear depolarization by morphologically complex soot and soot-containing aerosols

    Science.gov (United States)

    Mishchenko, Michael I.; Liu, Li; Mackowski, Daniel W.

    2013-07-01

    We use state-of-the-art public-domain Fortran codes based on the T-matrix method to calculate orientation and ensemble averaged scattering matrix elements for a variety of morphologically complex black carbon (BC) and BC-containing aerosol particles, with a special emphasis on the linear depolarization ratio (LDR). We explain theoretically the quasi-Rayleigh LDR peak at side-scattering angles typical of low-density soot fractals and conclude that the measurement of this feature enables one to evaluate the compactness state of BC clusters and trace the evolution of low-density fluffy fractals into densely packed aggregates. We show that small backscattering LDRs measured with ground-based, airborne, and spaceborne lidars for fresh smoke generally agree with the values predicted theoretically for fluffy BC fractals and densely packed near-spheroidal BC aggregates. To reproduce higher lidar LDRs observed for aged smoke, one needs alternative particle models such as shape mixtures of BC spheroids or cylinders.

  3. The behaviour of radionuclides in gas adsorption chromatographic processes with superimposed chemical reactions (chlorides)

    International Nuclear Information System (INIS)

    Eichler, B.

    1996-01-01

    Thermochemical relationships are derived describing the gas adsorption chromatographic transport of carrier-free radionuclides. Especially, complex adsorption processes such as dissociative, associative and substitutive adsorption are dealt with. The comparison of experimental with calculated data allows the determination of the type of adsorption reaction, which is the basis of the respective gas chromatographic process. The behaviour of carrier-free radionuclides of elements Pu, Ce, Ru, Co and Cr in thermochromatographic experiments with chlorinating carrier gases can be described as dissociative adsorption of chlorides in higher oxidation states. The gas adsorption chromatographic transport of Zr with oxygen and chlorine containing carrier gas is shown to be a substitutive adsorption process. The consequences of superimposed chemical reactions on the interpretation of results and the conception of gas adsorption chromatographic experiments with carrier-free radionuclides in isothermal columns and in temperature gradient tubes is discussed. (orig.)

  4. Study on the plasma reaction process of hydroxyl generation by strong electric field ionization discharge

    International Nuclear Information System (INIS)

    Bai Mindi; Deng Shufang; Bai Xiyao; Zhang Zhitao

    2004-01-01

    Considering the change in the structure of reaction room, dielectric materials and process technology, authors have specifically studied the plasma reaction process of creating hydroxyl radical OH * and e aq - from ionization of O 2 and H 2 O through a strong electric field discharge. The production volume of hydroxyl radical OH * is up to the project application level, and process technology meets the 12 laws of green chemistry, free from environmental pollution from the source. The authors have emphatically researched on the green method of flue gas desulfurization, which will ionize SO 2 , H 2 O and O 2 in the flue gas to synthesis H 2 SO 4 in molecular level within 0.8 s without absorbent and catalyst. (author)

  5. 13C(α,n)16O reaction as the knock-out exchange process

    International Nuclear Information System (INIS)

    Kim, G.; Khajdarov, R.R.; Zaparov, Eh.A.

    2000-01-01

    S-factor for the 13 C(α,n) 16 O reaction is studied. In the framework of the simple phenomenological model this reaction is analysed as neutron knocked-out by α-particle exchange process. The analysis demonstrates the importance of taking into account 2p-state in 13 C. The 13 C(α,n) 16 O cross section is considered both as the knock-out exchange process and as it's combination with process through a compound nucleus. It was shown that for E α s value extrapolated to low energies is found to be noticeably larger that of R-matrix analysis. Different ways of improving the proposed model are discussed. (author)

  6. Thermal theory of autowave processes in low-temperature solid-phase radiochemical reactions

    International Nuclear Information System (INIS)

    Barelko, V.V.; Barkalov, I.M.; Vaganov, D.A.; Zanin, A.M.; Kiryukhin, D.P.

    1982-01-01

    A new phenomenon in radiation cryochemistry concerning the class of autowave processes was previously discovered. It was observed in halogenation and hydrohalogenation of hydrocarbons and consisted of spontaneous, laminar propagation of a chemical transformation wave based on a frozen mixture of reagents previously irradiated with 60 Co γ-rays. The effect of the positive inverse correlation between the chemical conversion and brittle fracture of a solid sample of reagents is the phenomenological basis of the phenomenon; formation of fractures triggers a reactive process which takes place on their active surface (or in the layer adjacent to it), and the chemical reaction, in turn, stimulates the subsequent development of the process of decomposition. As a result, a single brittle fracture and chemical conversion wave which moves along the solid sample arises. Different mechanisms of generation of fracture surfaces under the effect of the reaction are possible. A difference in the densities of the initial reagents and the products of the reaction could be one of the causes of brittle fracture, and the thermal stresses induced by the exothermicity of the chemical processes could be another cause. The present work concerns the analysis of the features of the wave process which occurs based on the second, thermal mechanism. The analysis was conducted within the framework of a phenomenological approach which does not require specific definition of the nature of the chemical activation of the system during its brittle fracture

  7. Time behaviour of the reaction front in the catalytic A + B → B + C reaction-diffusion processes

    International Nuclear Information System (INIS)

    Nicolini, F.G.; Rodriguez, M.A.; Wio, H.S.

    1994-07-01

    The problem of the time evolution of the position and width of a reaction front between initially separated reactants for the catalytic reaction A + B → B + C (C inert) is treated within a recently introduced Galanin-like scheme. (author). 6 refs

  8. The (n, $\\gamma$) reaction in the s-process branching point $^{59}$Ni

    CERN Multimedia

    We propose to measure the $^{59}$Ni(n,$\\gamma$)$^{56}$Fe cross section at the neutron time of flight (n TOF) facility with a dedicated chemical vapor deposition (CVD) diamond detector. The (n, ) reaction in the radioactive $^{59}$Ni is of relevance in nuclear astrophysics as it can be seen as a rst branching point in the astrophysical s-process. Its relevance in nuclear technology is especially related to material embrittlement in stainless steel. There is a strong discrepancy between available experimental data and the evaluated nuclear data les for this isotope. The aim of the measurement is to clarify this disagreement. The clear energy separation of the reaction products of neutron induced reactions in $^{59}$Ni makes it a very suitable candidate for a rst cross section measurement with the CVD diamond detector, which should serve in the future for similar measurements at n_TOF.

  9. Applying some methods to process the data coming from the nuclear reactions

    International Nuclear Information System (INIS)

    Suleymanov, M.K.; Abdinov, O.B.; Belashev, B.Z.

    2010-01-01

    Full text : The methods of a posterior increasing the resolution of the spectral lines are offered to process the data coming from the nuclear reactions. The methods have applied to process the data coming from the nuclear reactions at high energies. They give possibilities to get more detail information on a structure of the spectra of particles emitted in the nuclear reactions. The nuclear reactions are main source of the information on the structure and physics of the atomic nuclei. Usually the spectrums of the fragments of the reactions are complex ones. Apparently it is not simple to extract the necessary for investigation information. In the talk we discuss the methods of a posterior increasing the resolution of the spectral lines. The methods could be useful to process the complex data coming from the nuclear reactions. We consider the Fourier transformation method and maximum entropy one. The complex structures were identified by the method. One can see that at lest two selected points are indicated by the method. Recent we presented a talk where we shown that the results of the analyzing the structure of the pseudorapidity spectra of charged relativistic particles with ≥ 0.7 measured in Au+Em and Pb+Em at AGS and SPS energies using the Fourier transformation method and maximum entropy one. The dependences of these spectra on the number of fast target protons were studied. These distribution shown visually some plateau and shoulder that was at least three selected points on the distributions. The plateaus become wider in PbEm reactions. The existing of plateau is necessary for the parton models. The maximum entropy method could confirm the existing of the plateau and the shoulder on the distributions. The figure shows the results of applying the maximum entropy method. One can see that the method indicates several clean selected points. Some of them same with observed visually ones. We would like to note that the Fourier transformation method could not

  10. Cross section measurements of proton capture reactions on Se isotopes relevant to the astrophysical p process

    Science.gov (United States)

    Foteinou, V.; Harissopulos, S.; Axiotis, M.; Lagoyannis, A.; Provatas, G.; Spyrou, A.; Perdikakis, G.; Zarkadas, Ch.; Demetriou, P.

    2018-03-01

    Cross sections of proton capture reactions on 74Se, 78Se, and 80Se have been measured at incident beam energies from 2 to 6 MeV, 1.7 to 3 MeV, and 1.5 to 3.5 MeV, respectively. In the case of Se,8078, cross sections were obtained from in-beam γ -angular distribution measurements, whereas for the 74Se isotope they were derived from off-beam activity measurements. The measured cross sections were compared with calculations performed with the nuclear reaction code talys (version 1.6). A good agreement between theory and experiment was found. Astrophysical S factors and reaction rates deduced from the experimental and calculated cross sections were also compared and the impact of different nuclear ingredients in the calculations on the reaction rates was investigated. It was found that, for certain combinations of nuclear input models, the reaction rates obtained at temperatures relevant to p -process nucleosynthesis differ by a factor 2 at the most, differences that are well within the acceptable deviations of calculated p -nuclei abundances and observations.

  11. Modelling of chalcopyrite oxidation reactions in the Outokumpu flash smelting process

    Energy Technology Data Exchange (ETDEWEB)

    Ahokainen, T.; Jokilaakso, A. [Helsinki Univ. of Technology, Otaniemi (Finland)

    1996-12-31

    A mathematical model for simulating oxidation reactions of chalcopyrite particles together with momentum, heat and mass transfer between particle and gas phase in a flash smelting furnace reaction shaft is presented. In simulation, the equations governing the gas flow are solved numerically with a commercial fluid flow package, Phoenics. The particle phase is introduced into the gas flow by a Particle Source In Cell (PSIC) - technique, where a number of discrete particles is tracked in a gas flow and the relevant source terms for momentum, mass, and heat transfer are added to the gas phase equations. The gas phase equations used are elliptic in nature and the fluid turbulence is described by the (k-{epsilon}) -model. Thermal gas phase radiation is simulated with a six-flux radiation model. The chemical reactions of concentrate particles are assumed to happen at two sharp interfaces, and a shrinking core model is applied to describe the mass transfer of chemical species through the reaction product layer. In a molten state, the oxygen consumption is controlled by a film penetration concept. The reacting concentrate particles are a mixture of chalcopyrite and silica. Also a certain amount of pure inert silica is fed to the process as flux. In the simulations the calculation domain includes the concentrate burner and a cylindrical reaction shaft of an industrial scale flash smelting furnace. Some examples about the simulations carried out by the combustion model are presented. (author)

  12. p-process nucleosynthesis via proton-capture reactions in thermonuclear supernovae explosions

    Directory of Open Access Journals (Sweden)

    Endres Anne

    2015-01-01

    Full Text Available Model calculations within the framework of the so-called γ process show an underproduction of the p nucleus with the highest isotopic abundace 92Mo. This discrepancy can be narrowed by taking into account the alternative production site of a type Ia supernova explosion. Here, the nucleus 92Mo can be produced by a sequence of proton-capture reactions. The amount of 92Mo nuclei produced via this reaction chain is most sensitive to the reactions 90Zr(p,γ and 91Nb(p,γ. Both rates have to be investigated experimentally to study the impact of this nucleosynthesis aspect on the long-standing 92Mo-problem. We have already measured the proton-capture reaction on 90Zr using high-resolution in-beam γ-ray spectroscopy. In this contribution, we will present our preliminary results of the total cross sections as well as the partial cross sections. Furthermore, we plan to measure the 91Nb(p,γ reaction soon. Due to the radioactive target material, the 91Nb nuclei have to be produced prior to the experiment. The current status of this production will be presented in this contribution.

  13. Modelling of chalcopyrite oxidation reactions in the Outokumpu flash smelting process

    Energy Technology Data Exchange (ETDEWEB)

    Ahokainen, T; Jokilaakso, A [Helsinki Univ. of Technology, Otaniemi (Finland)

    1997-12-31

    A mathematical model for simulating oxidation reactions of chalcopyrite particles together with momentum, heat and mass transfer between particle and gas phase in a flash smelting furnace reaction shaft is presented. In simulation, the equations governing the gas flow are solved numerically with a commercial fluid flow package, Phoenics. The particle phase is introduced into the gas flow by a Particle Source In Cell (PSIC) - technique, where a number of discrete particles is tracked in a gas flow and the relevant source terms for momentum, mass, and heat transfer are added to the gas phase equations. The gas phase equations used are elliptic in nature and the fluid turbulence is described by the (k-{epsilon}) -model. Thermal gas phase radiation is simulated with a six-flux radiation model. The chemical reactions of concentrate particles are assumed to happen at two sharp interfaces, and a shrinking core model is applied to describe the mass transfer of chemical species through the reaction product layer. In a molten state, the oxygen consumption is controlled by a film penetration concept. The reacting concentrate particles are a mixture of chalcopyrite and silica. Also a certain amount of pure inert silica is fed to the process as flux. In the simulations the calculation domain includes the concentrate burner and a cylindrical reaction shaft of an industrial scale flash smelting furnace. Some examples about the simulations carried out by the combustion model are presented. (author)

  14. Fundamental studies on the reaction process of partial hydropyrolysis of coal

    Energy Technology Data Exchange (ETDEWEB)

    O. Yamada; H. Yasuda; M. Kaiho [National Institute of Advanced Industrial Science and Technology, Ibaraki (Japan). Energy Technology Research Institute

    2005-07-01

    In order to make up a simulator to support the development of coal partial hydropyrolysis process, material balance of the reaction was investigated precisely. Amount of H{sub 2} evolved by pyrolysis under inert gas atmosphere was found almost equal to that of (CO+2CO{sub 2}), therefore, most of H{sub 2} seemed to be generated through water gas reaction and shift reaction. CH{sub 4} seemed to be stable even at 1073K and 7.1MPa of H{sub 2}, its generation was simply accelerated in proportion to H{sub 2} pressure. Hydrocarbons, other than CH{sub 4}, were fundamentally unstable at 1073K and 0.93 -7.1MPa of H{sub 2}, however the rate of decomposition of them were so slow that amounts of them evolved were apparently proportion to reaction time and H{sub 2} pressure. BTX and naphthalene were increased apparently with H{sub 2} pressure when the reaction time was less than 5s. 4 refs., 20 figs.

  15. NMTC/JAM, Simulates High Energy Nuclear Reactions and Nuclear-Meson Transport Processes

    International Nuclear Information System (INIS)

    Furihata, Shiori

    2002-01-01

    1 - Description of program or function: NMTC/JAM is an upgraded version of the code system NMTC/JAERI97. NMTC/JAERI97 simulates high energy nuclear reactions and nucleon-meson transport processes. It implements an intra-nuclear cascade model taking account of the in-medium nuclear effects and the pre-equilibrium calculation model based on the exciton one. For treating the nucleon transport process, the nucleon-nucleus cross sections are revised to those derived by the systematics of Pearlstein. Moreover, the level density parameter derived by Ignatyuk is included as a new option for particle evaporation calculation. A geometry package based on the Combinatorial Geometry with multi-array system and the importance sampling technique is implemented in the code. Tally function is also employed for obtaining such physical quantities as neutron energy spectra, heat deposition and nuclide yield without editing a history file. The code can simulate both the primary spallation reaction and the secondary particle transport in the intermediate energy region from 20 MeV to 3.5 GeV by the use of the Monte Carlo technique. The code has been employed in combination with the neutron-photon transport codes available to the energy region below 20 MeV for neutronics calculation of accelerator-based subcritical reactors, analyses of thick target spallation experimented and so on. 2 - Methods: High energy nuclear reactions induced by incident high energy protons, neutrons and pions are simulated with the Monte Carlo Method by the intra-nuclear nucleon-nucleon reaction probabilities based on an intra-nuclear nucleon cascade model followed by the particle evaporation including high energy fission process. Jet-Aa Microscopic transport model (JAM) is employed to simulate high energy nuclear reactions in the energy range of GeV. All reaction channels are taken into account in the JAM calculation. An intra-nuclear cascade model (ISOBAR code) taking account of the in-medium nuclear effects

  16. An experimental study on the effects of different opening ranges of waste-gate on the exhaust soot emission of a turbo-charged DI diesel engine

    International Nuclear Information System (INIS)

    Ghazikhani, M.; Davarpanah, M.; Shaegh, S.A. Mousavi

    2008-01-01

    This experimental study was conducted to investigate the effects of different opening ranges of waste-gate of a turbo-charged DI diesel engine on improving the exhaust soot emission. Different opening ranges of waste-gate were supplied using an adjustable spring to load the actuating rod of the waste-gate in which, increasing the opening range of the waste-gate decreases the inlet manifold pressure. In this study, the maximum inlet manifold pressures which were supplied by changing the opening range of waste-gate were 0.1 bar, 0.23 bar, 0.26 bar and 0.52 bar over atmosphere and experiments were conducted under the ECE-R49, 13 mode standard test. At each mode of the test, soot emission was recorded and then brake specific soot emission was calculated. Results indicate that, soot emission decreases with increasing the maximum inlet manifold pressure from 0.1 bar to 0.23 bar. This reduction may be due to increasing the intake-air temperature which results in reduction of ignition delay that prolongs the late combustion phase. This improves the soot burnout process because enough time and sufficient in-cylinder temperature are available at the late combustion phase prior to exhaust valve opening. While for the higher maximum inlet manifold pressures from 0.23 bar to 0.52 bar, although there are enough time at the late combustion phase, but the soot emission increases which could be due to more reduction of the in-cylinder gas temperature at the end of combustion before EVO

  17. Molecular mechanics and quantum mechanical modeling of hexane soot structure and interactions with pyrene

    Directory of Open Access Journals (Sweden)

    Kubicki JD

    2000-09-01

    Full Text Available Molecular simulations (energy minimizations and molecular dynamics of an n-hexane soot model developed by Smith and co-workers (M. S. Akhter, A. R. Chughtai and D. M. Smith, Appl. Spectrosc., 1985, 39, 143; ref. 1 were performed. The MM+ (N. L. Allinger, J. Am. Chem. Soc., 1977, 395, 157; ref. 2 and COMPASS (H. Sun, J. Phys. Chem., 1998, 102, 7338; ref. 3 force fields were tested for their ability to produce realistic soot nanoparticle structure. The interaction of pyrene with the model soot was simulated. Quantum mechanical calculations on smaller soot fragments were carried out. Starting from an initial 2D structure, energy minimizations are not able to produce the observed layering within soot with either force field. Results of molecular dynamics simulations indicate that the COMPASS force field does a reasonably accurate job of reproducing observations of soot structure. Increasing the system size from a 683 to a 2732 atom soot model does not have a significant effect on predicted structures. Neither does the addition of water molecules surrounding the soot model. Pyrene fits within the soot structure without disrupting the interlayer spacing. Polycyclic aromatic hydrocarbons (PAH, such as pyrene, may strongly partition into soot and have slow desorption kinetics because the PAH-soot bonding is similar to soot–soot interactions. Diffusion of PAH into soot micropores may allow the PAH to be irreversibly adsorbed and sequestered so that they partition slowly back into an aqueous phase causing dis-equilibrium between soil organic matter and porewater.

  18. Measuring and predicting sooting tendencies of oxygenates, alkanes, alkenes, cycloalkanes, and aromatics on a unified scale

    Energy Technology Data Exchange (ETDEWEB)

    Das, Dhrubajyoti D.; St. John, Peter C.; McEnally, Charles S.; Kim, Seonah; Pfefferle, Lisa D.

    2018-04-01

    Databases of sooting indices, based on measuring some aspect of sooting behavior in a standardized combustion environment, are useful in providing information on the comparative sooting tendencies of different fuels or pure compounds. However, newer biofuels have varied chemical structures including both aromatic and oxygenated functional groups, which expands the chemical space of relevant compounds. In this work, we propose a unified sooting tendency database for pure compounds, including both regular and oxygenated hydrocarbons, which is based on combining two disparate databases of yield-based sooting tendency measurements in the literature. Unification of the different databases was made possible by leveraging the greater dynamic range of the color ratio pyrometry soot diagnostic. This unified database contains a substantial number of pure compounds (greater than or equal to 400 total) from multiple categories of hydrocarbons important in modern fuels and establishes the sooting tendencies of aromatic and oxygenated hydrocarbons on the same numeric scale for the first time. Using this unified sooting tendency database, we have developed a predictive model for sooting behavior applicable to a broad range of hydrocarbons and oxygenated hydrocarbons. The model decomposes each compound into single-carbon fragments and assigns a sooting tendency contribution to each fragment based on regression against the unified database. The model's predictive accuracy (as demonstrated by leave-one-out cross-validation) is comparable to a previously developed, more detailed predictive model. The fitted model provides insight into the effects of chemical structure on soot formation, and cases where its predictions fail reveal the presence of more complicated kinetic sooting mechanisms. This work will therefore enable the rational design of low-sooting fuel blends from a wide range of feedstocks and chemical functionalities.

  19. Evaluation of the mercaptobenzothiazole degradation by combined adsorption process and Fenton reaction using iron mining residue.

    Science.gov (United States)

    Martins, Adriana Lau da Silva; Teixeira, Luís Alberto César; da Fonseca, Fabiana Valéria; Yokoyama, Lídia

    2017-08-01

    The present study investigated the degradation of mercaptobenzothiazole (MBT), evaluating homogeneous and heterogeneous systems. An iron mineral residue from the desliming step of iron mining was used as a source in the Fenton-like reaction (advanced oxidation process). A granulometric analysis of the residue was performed and yielded fractions with high hematite (Fe 2 O 3 ) and low quartz content in sieves from 74 to below 44 mm. In this particle size range, the hematite content from 58.9% to 67.4% and the Brunauer-Emmett-Teller area from 0.1345 to 1.3137 m 2  g -1 were obtained. The zeta potential curves as a function of pH were obtained for the residue, the MBT solution and mixtures thereof. The adsorption of MBT in the residue and its degradation through the Fenton-like reaction were investigated. Adsorption tests and the Fenton-like reaction were carried out, where the MBT species and the residue are oppositely charged, yielding, respectively, 10% MBT adsorption on the surface of the residue and 100% MBT degradation by the Fenton-like reaction at pH 3, hydrogen peroxide concentration of 25 mg L -1 , residue concentration of 3 g L -1 , 200 rpm and 25°C, from a 100 mg L -1 MBT solution. MBT degradation was found to occur mainly by the heterogeneous Fenton-like process.

  20. NMR studies of stock process water and reaction pathways in hydrothermal carbonization of furfural residue

    Directory of Open Access Journals (Sweden)

    Fen Yue

    2018-04-01

    Full Text Available Hydrothermal carbonization (HTC is a valuable approach to convert furfural residue (FR into carbon material. The prepared biochars are usually characterized comprehensively, while the stock process water still remains to be studied in detail. Herein, a NMR study of the main components in stock process water generated at different HTC reaction conditions was reported. Various qualitative and quantitative NMR techniques (1H and 13C NMR, 1H–1H COSY and 1H13C HSQC etc. especially 1D selective gradient total correlation spectroscopy (TOCSY NMR were strategically applied in the analysis of HTC stock process water. Without separation and purification, it was demonstrated that the main detectable compounds are 5-hydroxymethylfurfural, formic acid, methanol, acetic acid, levulinic acid, glycerol, hydroxyacetone and acetaldehyde in this complicate mixture. Furthermore, the relationship between the concentration of major products and the reaction conditions (180–240 °C at 8 h, and 1–24 h at 240 °C was established. Finally, reasonable reaction pathways for hydrothermal conversion of FR were proposed based on this result and our previously obtained characteristics of biochars. The routine and challenging NMR methods utilized here would be an alternative other than HPLC or GC for biomass conversion research and can be extended to more studies. Keywords: NMR, Hydrothermal carbonization, Furfural residue, Stock process water

  1. An adaptive algorithm for simulation of stochastic reaction-diffusion processes

    International Nuclear Information System (INIS)

    Ferm, Lars; Hellander, Andreas; Loetstedt, Per

    2010-01-01

    We propose an adaptive hybrid method suitable for stochastic simulation of diffusion dominated reaction-diffusion processes. For such systems, simulation of the diffusion requires the predominant part of the computing time. In order to reduce the computational work, the diffusion in parts of the domain is treated macroscopically, in other parts with the tau-leap method and in the remaining parts with Gillespie's stochastic simulation algorithm (SSA) as implemented in the next subvolume method (NSM). The chemical reactions are handled by SSA everywhere in the computational domain. A trajectory of the process is advanced in time by an operator splitting technique and the timesteps are chosen adaptively. The spatial adaptation is based on estimates of the errors in the tau-leap method and the macroscopic diffusion. The accuracy and efficiency of the method are demonstrated in examples from molecular biology where the domain is discretized by unstructured meshes.

  2. Development of wide area reaction system for Reel-to-Reel TFA-MOD process

    International Nuclear Information System (INIS)

    Nomoto, Sukeharu; Aoki, Yuji; Teranishi, Ryo; Sato, Akihiro; Izumi, Teruo; Shiohara, Yuh

    2006-01-01

    The previously developed numerical simulation method for the TFA-MOD process, which calculated the YBCO growth kinetics, gas element diffusion and gas flow, was applied to study the suitable gas flow mode for a multi-turning Reel-to-Reel tape conveyance system of a long YBCO coated conductors. The high YBCO production rate with uniform J c distribution among tape lines is desired in the system. It was found by the numerical simulation for the vertical gas flow onto the tape surface to realize the above demands even in a wider reaction area. We developed a new wide area reaction tube for the Reel-to-Reel TFA-MOD process according to the numerically designed gas flow configuration. The demand for the new tube was confirmed to be satisfied by experiments

  3. Workshop on Critical Issues in Microgravity Fluids, Transport, and Reaction Processes in Advanced Human Support Technology

    Science.gov (United States)

    Chiaramonte, Francis P.; Joshi, Jitendra A.

    2004-01-01

    This workshop was designed to bring the experts from the Advanced Human Support Technologies communities together to identify the most pressing and fruitful areas of research where success hinges on collaborative research between the two communities. Thus an effort was made to bring together experts in both advanced human support technologies and microgravity fluids, transport and reaction processes. Expertise was drawn from academia, national laboratories, and the federal government. The intent was to bring about a thorough exchange of ideas and develop recommendations to address the significant open design and operation issues for human support systems that are affected by fluid physics, transport and reaction processes. This report provides a summary of key discussions, findings, and recommendations.

  4. Reaction network modelling for kinetic parameters of pyrolytic reactions of CHON extractants in nuclear fuel processing waste management. Contributed Paper IT-07

    International Nuclear Information System (INIS)

    Gaikar, Vilas G.; Thaore, Vaishali

    2014-01-01

    The recovery and purification of plutonium (Pu) from uranium (U) and of U from Thorium (Th) in spent nuclear fuel reprocessing is accomplished by processes that employ organophosphorous compounds as extractants.The main objective of the present work was to develop a suitable kinetic model and to determine the kinetic parameters of the set of reactions involved in the pyrolysis of amides by fitting the experimental data in the reaction network model. The experimental data and analysis are expected to be useful in the steam pyrolysis of amide waste in fuel reprocessing in the nuclear industry. The basic approach was to understand the reaction mechanism of the steam pyrolysis of amides and then to estimate the reaction rate constants for the generation and consumption of different species by solving the model equations, allowing for the determination of important species in the reaction network

  5. Soot in the atmosphere and snow surface of Antarctica

    International Nuclear Information System (INIS)

    Warren, S.G.; Clarke, A.D.

    1990-01-01

    Samples of snow collected near the south pole during January and February 1986 were analyzed for the presence of light-absorbing particles by passing the melted snow through a nuclepore filter. Transmission of light through the filter showed that snow far from the station contains the equivalent of 0.1-0.3 ng of carbon per gram of snow (ng/g). Samples of ambient air were filtered and found to contain about 1-2 ng of carbon per kilogram of air, giving a scavenging ratio of about 150. The snow downwind of the station exhibited a well-defined plume of soot due to the burning of diesel fuel, but even in the center of the plume 1 km downwind, the soot concentration was only 3 ng/g, too small to affect snow albedo significantly. Measurements of snow albedo near large inland stations are therefore probably representative of their surrounding regions

  6. Lanthanum-promoted copper-based hydrotalcites derived mixed oxides for NO{sub x} adsorption, soot combustion and simultaneous NO{sub x}-soot removal

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhongpeng [School of Resources and Environment, University of Jinan, 106 Jiwei Road, Jinan 250022 (China); Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Yan, Xiaotong; Bi, Xinlin; Wang, Liguo [School of Resources and Environment, University of Jinan, 106 Jiwei Road, Jinan 250022 (China); Zhang, Zhaoliang, E-mail: chm_zhangzl@ujn.edu.cn [School of Resources and Environment, University of Jinan, 106 Jiwei Road, Jinan 250022 (China); Jiang, Zheng; Xiao, Tiancun [Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR (United Kingdom); Umar, Ahmad [Department of Chemistry, College of Science and Arts, Najran University, P.O. Box 1988, Najran 11001 (Saudi Arabia); Promising Centre for Sensors and Electronic Devices (PCSED), Najran University, P.O. Box 1988, Najran 11001 (Saudi Arabia); Wang, Qiang, E-mail: qiang.wang.ox@gmail.com [College of Environmental Science and Engineering, Beijing Forestry University, 35 Tsinghua East Road, Beijing 100083 (China)

    2014-03-01

    Graphical abstract: - Highlights: • The addition of La in Cu-based oxides increased the types of active oxygen. • NO{sub x} adsorption, soot oxidation and simultaneous NO{sub x}-soot removal were enhanced. • The possible catalytic mechanism was studied via in situ FTIR analysis. • Soot oxidation was promoted by the NO{sub 2} intermediate. - Abstract: La-promoted Cu-based hydrotalcites derived mixed oxides were prepared and their catalytic activities for NO{sub x} adsorption, soot oxidation, and simultaneous NO{sub x}-soot removal were investigated. The catalysts were characterized by XRD, DTG, BET, FTIR, H2-TPR, TPD and TPO techniques. The oxides catalysts exhibited mesoporous properties with specific surface area of 45–160 m{sup 2}/g. The incorporation of La and Cu decreased the amount of basic sites due to the large decrease in surface areas. Under O{sub 2} atmosphere, La incorporation is dominant for soot oxidation activity, while Cu favors high selectivity to CO{sub 2} formation. A synergetic effect between La and Cu for catalyzed soot oxidation lies in the improved redox property and suitable basicity. The presence of NO in O{sub 2} significantly promoted soot oxidation on the catalysts with the ignition temperature decreased to about 300 °C. In O{sub 2}/NO atmosphere, NO{sub 2} acts as an intermediate which oxidizes soot to CO{sub 2} at a lower temperature with itself reduced to NO or N{sub 2}, contributing to the high catalytic performance in simultaneous removal of NO{sub x} and soot.

  7. Process spectroscopy in microemulsions—setup and multi-spectral approach for reaction monitoring of a homogeneous hydroformylation process

    Science.gov (United States)

    Meyer, K.; Ruiken, J.-P.; Illner, M.; Paul, A.; Müller, D.; Esche, E.; Wozny, G.; Maiwald, M.

    2017-03-01

    Reaction monitoring in disperse systems, such as emulsions, is of significant technical importance in various disciplines like biotechnological engineering, chemical industry, food science, and a growing number other technical fields. These systems pose several challenges when it comes to process analytics, such as heterogeneity of mixtures, changes in optical behavior, and low optical activity. Concerning this, online nuclear magnetic resonance (NMR) spectroscopy is a powerful technique for process monitoring in complex reaction mixtures due to its unique direct comparison abilities, while at the same time being non-invasive and independent of optical properties of the sample. In this study the applicability of online-spectroscopic methods on the homogeneously catalyzed hydroformylation system of 1-dodecene to tridecanal is investigated, which is operated in a mini-plant scale at Technische Universität Berlin. The design of a laboratory setup for process-like calibration experiments is presented, including a 500 MHz online NMR spectrometer, a benchtop NMR device with 43 MHz proton frequency as well as two Raman probes and a flow cell assembly for an ultraviolet and visible light (UV/VIS) spectrometer. Results of high-resolution online NMR spectroscopy are shown and technical as well as process-specific problems observed during the measurements are discussed.

  8. Characterizing Information Processing With a Mobile Device: Measurement of Simple and Choice Reaction Time.

    Science.gov (United States)

    Burke, Daniel; Linder, Susan; Hirsch, Joshua; Dey, Tanujit; Kana, Daniel; Ringenbach, Shannon; Schindler, David; Alberts, Jay

    2017-10-01

    Information processing is typically evaluated using simple reaction time (SRT) and choice reaction time (CRT) paradigms in which a specific response is initiated following a given stimulus. The measurement of reaction time (RT) has evolved from monitoring the timing of mechanical switches to computerized paradigms. The proliferation of mobile devices with touch screens makes them a natural next technological approach to assess information processing. The aims of this study were to determine the validity and reliability of using of a mobile device (Apple iPad or iTouch) to accurately measure RT. Sixty healthy young adults completed SRT and CRT tasks using a traditional test platform and mobile platforms on two occasions. The SRT was similar across test modality: 300, 287, and 280 milliseconds (ms) for the traditional, iPad, and iTouch, respectively. The CRT was similar within mobile devices, though slightly faster on the traditional: 359, 408, and 384 ms for traditional, iPad, and iTouch, respectively. Intraclass correlation coefficients ranged from 0.79 to 0.85 for SRT and from 0.75 to 0.83 for CRT. The similarity and reliability of SRT across platforms and consistency of SRT and CRT across test conditions indicate that mobile devices provide the next generation of assessment platforms for information processing.

  9. Evaluation of early tissue reactions after lumbar intertransverse process fusion using CT in a rabbit

    International Nuclear Information System (INIS)

    Shinbo, Jun; Mainil-Varlet, Pierre; Watanabe, Atsuya; Pippig, Suzanne; Koener, Jens; Anderson, Suzanne E.

    2010-01-01

    The objective of the study was to evaluate tissue reactions such as bone genesis, cartilage genesis and graft materials in the early phase of lumbar intertransverse process fusion in a rabbit model using computed tomography (CT) imaging with CT intensity (Hounsfield units) measurement, and to compare these data with histological results. Lumbar intertransverse process fusion was performed on 18 rabbits. Four graft materials were used: autograft bone (n=3); collagen membrane soaked with recombinant human bone morphogenetic protein-2 (rhBMP-2) (n=5); granular calcium phosphate (n=5); and granular calcium phosphate coated with rhBMP-2 (n=5). All rabbits were euthanized 3 weeks post-operatively and lumbar spines were removed for CT imaging and histological examination. Computed tomography imaging demonstrated that each fusion mass component had the appropriate CT intensity range. CT also showed the different distributions and intensities of bone genesis in the fusion masses between the groups. Each component of tissue reactions was identified successfully on CT images using the CT intensity difference. Using CT color mapping, these observations could be easily visualized, and the results correlated well with histological findings. The use of CT intensity is an effective approach for observing and comparing early tissue reactions such as newly synthesized bone, newly synthesized cartilage, and graft materials after lumbar intertransverse process fusion in a rabbit model. (orig.)

  10. Effects of a new 3-alpha reaction on the s-process in massive stars

    International Nuclear Information System (INIS)

    Kikuch, Yukihiro; Ono, Masaomi; Matsuo, Yasuhide; Hashimoto, Masa-aki; Fujimoto, Shin-ichiro

    2012-01-01

    Effect of a new 3-alpha reaction rate on the s-process during the evolution of a massive star of 25 solar mass is investigated for the first time, because the s-process in massive stars have been believed to be established with only minor change. We find that the s-process with use of the new rate during the core helium burning is very inefficient compared to the case with the previous 3-alpha rate. However, the difference of the overproduction is found to be largely compensated by the subsequent carbon burning. Since the s-process in massive stars has been attributed so far to the neutron irradiation during core helium burning, our finding reveals for the first time the importance of the carbon burning for the s-process during the evolution of massive stars.

  11. Photonuclear reactions in astrophysical p-process: Theoretical calculations and experiment simulation based on ELI-NP

    Science.gov (United States)

    Xu, Yi; Luo, Wen; Balabanski, Dimiter; Goriely, Stephane; Matei, Catalin; Tesileanu, Ovidiu

    2017-09-01

    The astrophysical p-process is an important way of nucleosynthesis to produce the stable and proton-rich nuclei beyond Fe which can not be reached by the s- and r-processes. In the present study, the astrophysical reaction rates of (γ,n), (γ,p), and (γ,α) reactions are computed within the modern reaction code TALYS for about 3000 stable and proton-rich nuclei with 12 Infrastructure-Nuclear Physics (ELI-NP) facility is being developed, which will provide the great opportunity to experimentally study the photonuclear reactions in p-process. Simulations of the experimental setup for the measurements of the photonuclear reactions 96Ru(γ,p) and 96Ru(γ,α) are performed. It is shown that the experiments of photonuclear reactions in p-process based on ELI-NP are quite promising.

  12. A sensitivity study of s-process: the impact of uncertainties from nuclear reaction rates

    Science.gov (United States)

    Vinyoles, N.; Serenelli, A.

    2016-01-01

    The slow neutron capture process (s-process) is responsible for the production of about half the elements beyond the Fe-peak. The production sites and the conditions under which the different components of s-process occur are relatively well established. A detailed quantitative understanding of s-process nucleosynthesis may yield light in physical processes, e.g. convection and mixing, taking place in the production sites. For this, it is important that the impact of uncertainties in the nuclear physics is well understood. In this work we perform a study of the sensitivity of s-process nucleosynthesis, with particular emphasis in the main component, on the nuclear reaction rates. Our aims are: to quantify the current uncertainties in the production factors of s-process elements originating from nuclear physics and, to identify key nuclear reactions that require more precise experimental determinations. In this work we studied two different production sites in which s-process occurs with very different neutron exposures: 1) a low-mass extremely metal-poor star during the He-core flash (nn reaching up to values of ∼ 1014cm-3); 2) the TP-AGB phase of a M⊙, Z=0.01 model, the typical site of the main s-process component (nn up to 108 — 109cm-3). In the first case, the main variation in the production of s-process elements comes from the neutron poisons and with relative variations around 30%-50%. In the second, the neutron poison are not as important because of the higher metallicity of the star that actually acts as a seed and therefore, the final error of the abundances are much lower around 10%-25%.

  13. Effects of morphology and wavelength on the measurement accuracy of soot volume fraction by laser extinction

    Science.gov (United States)

    Wang, Ya-fei; Huang, Qun-xing; Wang, Fei; Chi, Yong; Yan, Jian-hua

    2018-01-01

    A novel method to evaluate the quantitative effects of soot morphology and incident wavelength on the measurement accuracy of soot volume fraction, by the laser extinction (LE) technique is proposed in this paper. The results indicate that the traditional LE technique would overestimate soot volume fraction if the effects of morphology and wavelength are not considered. Before the agglomeration of isolated soot primary particles, the overestimation of the LE technique is in the range of 2-20%, and rises with increasing primary particle diameter and with decreasing incident wavelength. When isolated primary particles are agglomerated into fractal soot aggregates, the overestimation would exceed 30%, and rise with increasing primary particle number per soot aggregate, fractal dimension and fractal prefactor and with decreasing incident wavelength to a maximum value of 55%. Finally, based on these results above, the existing formula of the LE technique gets modified, and the modification factor is 0.65-0.77.

  14. Conductometric Sensor for Soot Mass Flow Detection in Exhausts of Internal Combustion Engines

    Science.gov (United States)

    Feulner, Markus; Hagen, Gunter; Müller, Andreas; Schott, Andreas; Zöllner, Christian; Brüggemann, Dieter; Moos, Ralf

    2015-01-01

    Soot sensors are required for on-board diagnostics (OBD) of automotive diesel particulate filters (DPF) to detect filter failures. Widely used for this purpose are conductometric sensors, measuring an electrical current or resistance between two electrodes. Soot particles deposit on the electrodes, which leads to an increase in current or decrease in resistance. If installed upstream of a DPF, the “engine-out” soot emissions can also be determined directly by soot sensors. Sensors were characterized in diesel engine real exhausts under varying operation conditions and with two different kinds of diesel fuel. The sensor signal was correlated to the actual soot mass and particle number, measured with an SMPS. Sensor data and soot analytics (SMPS) agreed very well, an impressing linear correlation in a double logarithmic representation was found. This behavior was even independent of the used engine settings or of the biodiesel content. PMID:26580621

  15. Conductometric Sensor for Soot Mass Flow Detection in Exhausts of Internal Combustion Engines.

    Science.gov (United States)

    Feulner, Markus; Hagen, Gunter; Müller, Andreas; Schott, Andreas; Zöllner, Christian; Brüggemann, Dieter; Moos, Ralf

    2015-11-13

    Soot sensors are required for on-board diagnostics (OBD) of automotive diesel particulate filters (DPF) to detect filter failures. Widely used for this purpose are conductometric sensors, measuring an electrical current or resistance between two electrodes. Soot particles deposit on the electrodes, which leads to an increase in current or decrease in resistance. If installed upstream of a DPF, the "engine-out" soot emissions can also be determined directly by soot sensors. Sensors were characterized in diesel engine real exhausts under varying operation conditions and with two different kinds of diesel fuel. The sensor signal was correlated to the actual soot mass and particle number, measured with an SMPS. Sensor data and soot analytics (SMPS) agreed very well, an impressing linear correlation in a double logarithmic representation was found. This behavior was even independent of the used engine settings or of the biodiesel content.

  16. Conductometric Sensor for Soot Mass Flow Detection in Exhausts of Internal Combustion Engines

    Directory of Open Access Journals (Sweden)

    Markus Feulner

    2015-11-01

    Full Text Available Soot sensors are required for on-board diagnostics (OBD of automotive diesel particulate filters (DPF to detect filter failures. Widely used for this purpose are conductometric sensors, measuring an electrical current or resistance between two electrodes. Soot particles deposit on the electrodes, which leads to an increase in current or decrease in resistance. If installed upstream of a DPF, the “engine-out” soot emissions can also be determined directly by soot sensors. Sensors were characterized in diesel engine real exhausts under varying operation conditions and with two different kinds of diesel fuel. The sensor signal was correlated to the actual soot mass and particle number, measured with an SMPS. Sensor data and soot analytics (SMPS agreed very well, an impressing linear correlation in a double logarithmic representation was found. This behavior was even independent of the used engine settings or of the biodiesel content.

  17. Towards a standardized way of reporting physicochemical data and process metrics for transaminase reactions

    DEFF Research Database (Denmark)

    Tufvesson, Pär; Woodley, John

    information about the system and the reaction performance is lacking in the otherwise very useful scientific reports at laboratory scale. For instance, although K equilibrium is one of the key determining factors for the design and scale-up any transaminase process, it is very rarely reported [3]. In order...... to build a broader understanding of the correlation between the underlying physicochemical properties of the system (e.g. substrate volatility) and the process performance (e.g. gram of product per gram of biocatalyst), it would be highly beneficial if these data were reported, and ideally in a consistent...

  18. Characterization of ESIPT reactions with instant spectra of fluorescence and complexation processes

    International Nuclear Information System (INIS)

    Tomin, Vladimir I.; Ushakou, Dzmitryi V.

    2016-01-01

    Proton transfer processes and especially excited-state intramolecular proton transfer (ESIPT) are of interest not only in physical studies but in a wide range of biological and chemical researches, since they play an important role in different fundamental reactions. Moreover, occurrence of ESIPT very often causes two-bands emission spectra corresponding to the normal and photoproduct (tautomer) forms of molecular structure. It allows carrying out unique measurement of microcharacteristics in chemical and biological researches by using substances with ESIPT as molecular probes, because its dual emission is very sensitive to parameters of microenvironment. Dual fluorescence signal is very convenient for two wavelength ratiometric measurements as they are more sensitive to variations of sample characteristics. Recently new approach for revealing type of excited state reaction which is based on analysis of dynamic changes of relative intensities in instant spectra of fluorescence ESIPT solutes was suggested and tested for neat solutions. Now we generalize this method on solutions in which ESIPT solute may participate also in creating fluorescent complexes. We demonstrate that relative intensities of instant spectra of fluorescence registered with high time resolution allow to get valuable information referring to type of excited state reaction in which dye may undergo complexation reactions with ions in solvent. In addition we show how it is possible in such case to determine characteristics of complexation as, for example, stability constant and efficiency of complexation.

  19. Computing molecular fluctuations in biochemical reaction systems based on a mechanistic, statistical theory of irreversible processes.

    Science.gov (United States)

    Kulasiri, Don

    2011-01-01

    We discuss the quantification of molecular fluctuations in the biochemical reaction systems within the context of intracellular processes associated with gene expression. We take the molecular reactions pertaining to circadian rhythms to develop models of molecular fluctuations in this chapter. There are a significant number of studies on stochastic fluctuations in intracellular genetic regulatory networks based on single cell-level experiments. In order to understand the fluctuations associated with the gene expression in circadian rhythm networks, it is important to model the interactions of transcriptional factors with the E-boxes in the promoter regions of some of the genes. The pertinent aspects of a near-equilibrium theory that would integrate the thermodynamical and particle dynamic characteristics of intracellular molecular fluctuations would be discussed, and the theory is extended by using the theory of stochastic differential equations. We then model the fluctuations associated with the promoter regions using general mathematical settings. We implemented ubiquitous Gillespie's algorithms, which are used to simulate stochasticity in biochemical networks, for each of the motifs. Both the theory and the Gillespie's algorithms gave the same results in terms of the time evolution of means and variances of molecular numbers. As biochemical reactions occur far away from equilibrium-hence the use of the Gillespie algorithm-these results suggest that the near-equilibrium theory should be a good approximation for some of the biochemical reactions. © 2011 Elsevier Inc. All rights reserved.

  20. Interfacial reaction between SiC and aluminium due to extrusion and heat treatment process

    International Nuclear Information System (INIS)

    Junaidah Jai; Fauzi Ismail; Samsiah Sulaiman; Patthi Hussain, Azmi Idris; Yoichi Murakoshi

    1999-01-01

    Chemical interaction between aluminium (Al) and silicon carbide (SiC) produces aluminium carbide (Al 4 C 3 ) which presents potential problems in the production and application of Al/SiC Metal Matrix Composit (MMC). The Al 4 C 3 formed can reduce material properties such as strength in the MMC. This research work investigates the interface reaction in Al 7075/SiC MMC made through hot extrusion process. Mixed Al 7075/SiC MMC powders were pressed at 300 degree C and extruded at 500 degree C, with a reduction ratio of 20:1. The extruded MMC was then heat-treated in air at various temperatures from 560 degree C, 600 degree C, 640 degree C, 700 degree C to 800 degree C in order to observe the interface reaction of the MMC materials. The heat-treated MMCs were then analyzed under the optical microscope, X-ray Diffraction (XRD) Spectroscope and Scanning Electron Microscope (SEM) with Energy Dispersive X-ray (EDAZ) attachment to observe the interface reaction within the MMCs. This investigation confirms there was interface reaction between SiC and aluminium

  1. The effect of mineral dust and soot aerosols on ice microphysics near the foothills of the Himalayas: A numerical investigation

    Science.gov (United States)

    Hazra, Anupam; Padmakumari, B.; Maheskumar, R. S.; Chen, Jen-Ping

    2016-05-01

    This study investigates the influence of different ice nuclei (IN) species and their number concentrations on cloud ice production. The numerical simulation with different species of ice nuclei is investigated using an explicit bulk-water microphysical scheme in a Mesoscale Meteorological Model version 5 (MM5). The species dependent ice nucleation parameterization that is based on the classical nucleation theory has been implemented into the model. The IN species considered include dust and soot with two different concentrations (Low and High). The simulated cloud microphysical properties like droplet number concentration and droplet effective radii as well as macro-properties (equivalent potential temperature and relative humidity) are comparable with aircraft observations. When higher dust IN concentrations are considered, the simulation results showed good agreement with the cloud ice and cloud water mixing ratio from aircraft measurements during Cloud Aerosol Interactions and Precipitation Enhancement Experiment (CAIPEEX) and Modern Era Retrospective Analysis for Research and Applications (MERRA) reanalysis. Relative importance of IN species is shown as compared to the homogeneous freezing nucleation process. The tendency of cloud ice production rates is also analyzed and found that dust IN is more efficient in producing cloud ice when compared to soot IN. The dust IN with high concentration can produce more surface precipitation than soot IN at the same concentration. This study highlights the need to improve the ice nucleation parameterization in numerical models.

  2. Numerical modeling of soot formation in a turbulent C2H4/air diffusion flame

    Directory of Open Access Journals (Sweden)

    Manedhar Reddy Busupally

    2016-06-01

    Full Text Available Soot formation in a lifted C2H4-Air turbulent diffusion flame is studied using two different paths for soot nucleation and oxidation; by a 2D axisymmetric RANS simulation using ANSYS FLUENT 15.0. The turbulence-chemistry interactions are modeled using two different approaches: steady laminar flamelet approach and flamelet-generated manifold. Chemical mechanism is represented by POLIMI to study the effect of species concentration on soot formation. P1 approximation is employed to approximate the radiative transfer equation into truncated series expansion in spherical harmonics while the weighted sum of gray gases is invoked to model the absorption coefficient while the soot model accounts for nucleation, coagulation, surface growth, and oxidation. The first route for nucleation considers acetylene concentration as a linear function of soot nucleation rate, whereas the second route considers two and three ring aromatic species as function of nucleation rate. Equilibrium-based and instantaneous approach has been used to estimate the OH concentration for soot oxidation. Lee and Fenimore-Jones soot oxidation models are studied to shed light on the effect of OH on soot oxidation. Moreover, the soot-radiation interactions are also included in terms of absorption coefficient of soot. Furthermore, the soot-turbulence interactions have been invoked using a temperature/mixture fraction-based single variable PDF. Both the turbulence-chemistry interaction models are able to accurately predict the flame liftoff height, and for accurate prediction of flame length, radiative heat loss should be accounted in an accurate way. The soot-turbulence interactions are found sensitive to the PDF used in present study.

  3. Deep-inelastic multinucleon transfer processes in the 16O+27Al reaction

    Science.gov (United States)

    Roy, B. J.; Sawant, Y.; Patwari, P.; Santra, S.; Pal, A.; Kundu, A.; Chattopadhyay, D.; Jha, V.; Pandit, S. K.; Parkar, V. V.; Ramachandran, K.; Mahata, K.; Nayak, B. K.; Saxena, A.; Kailas, S.; Nag, T. N.; Sahoo, R. N.; Singh, P. P.; Sekizawa, K.

    2018-03-01

    The reaction mechanism of deep-inelastic multinucleon transfer processes in the 16O+27Al reaction at an incident 16O energy (Elab=134 MeV) substantially above the Coulomb barrier has been studied both experimentally and theoretically. Elastic-scattering angular distribution, total kinetic energy loss spectra, and angular distributions for various transfer channels have been measured. The Q -value- and angle-integrated isotope production cross sections have been deduced. To obtain deeper insight into the underlying reaction mechanism, we have carried out a detailed analysis based on the time-dependent Hartree-Fock (TDHF) theory. A recently developed method, TDHF+GEMINI, has been applied to evaluate production cross sections for secondary products. From a comparison between the experimental and theoretical cross sections, we find that the theory qualitatively reproduces the experimental data. Significant effects of secondary light-particle emissions are demonstrated. Possible interplay among fusion-fission, deep-inelastic, multinucleon transfer, and particle evaporation processes is discussed.

  4. Fundamental mechanisms and reactions in non-catalytic subcritical hydrothermal processes: A review.

    Science.gov (United States)

    Yousefifar, Azadeh; Baroutian, Saeid; Farid, Mohammed M; Gapes, Daniel J; Young, Brent R

    2017-10-15

    The management and disposal of solid waste is of increasing concern across the globe. Hydrothermal processing of sludge has been suggested as a promising solution to deal with the considerable amounts of sludge produced worldwide. Such a process not only degrades organic compounds and reduces waste volume, but also provides an opportunity to recover valuable substances. Hydrothermal processing comprises two main sub-processes: wet oxidation (WO) and thermal hydrolysis (TH), in which the formation of various free radicals results in the production of different intermediates. Volatile fatty acids (VFAs), especially acetic acid, are usually the main intermediates which remain as a by-product of the process. This paper aims to review the fundamental mechanism for hydrothermal processing of sludge, and the formation of different free radicals and intermediates therein. In addition, the proposed kinetic models for the two processes (WO and TH) from the literature are reviewed and the advantages and disadvantages of each model are outlined. The effect of mass transfer as a critical component of the design and development of the processes, which has been neglected in most of these proposed models, is also reviewed, and the effect of influencing parameters on the processes' controlling step (reaction or mass transfer) is discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Comparative Study of Different Methods for Soot Sensing and Filter Monitoring in Diesel Exhausts

    Science.gov (United States)

    Feulner, Markus; Hagen, Gunter; Hottner, Kathrin; Redel, Sabrina; Müller, Andreas; Moos, Ralf

    2017-01-01

    Due to increasingly tighter emission limits for diesel and gasoline engines, especially concerning particulate matter emissions, particulate filters are becoming indispensable devices for exhaust gas after treatment. Thereby, for an efficient engine and filter control strategy and a cost-efficient filter design, reliable technologies to determine the soot load of the filters and to measure particulate matter concentrations in the exhaust gas during vehicle operation are highly needed. In this study, different approaches for soot sensing are compared. Measurements were conducted on a dynamometer diesel engine test bench with a diesel particulate filter (DPF). The DPF was monitored by a relatively new microwave-based approach. Simultaneously, a resistive type soot sensor and a Pegasor soot sensing device as a reference system measured the soot concentration exhaust upstream of the DPF. By changing engine parameters, different engine out soot emission rates were set. It was found that the microwave-based signal may not only indicate directly the filter loading, but by a time derivative, the engine out soot emission rate can be deduced. Furthermore, by integrating the measured particulate mass in the exhaust, the soot load of the filter can be determined. In summary, all systems coincide well within certain boundaries and the filter itself can act as a soot sensor. PMID:28218700

  6. Soot Formation in Laminar Premixed Methane/Oxygen Flames at Atmospheric Pressure

    Science.gov (United States)

    Xu, F.; Lin, K.-C.; Faeth, G. M.

    1998-01-01

    Flame structure and soot formation were studied within soot-containing laminar premixed mc1hane/oxygen flames at atmospheric pressure. The following measurements were made: soot volume fractions by laser extinction, soot temperatures by multiline emission, gas temperatures (where soot was absent) by corrected fine-wire thermocouples, soot structure by thermophoretic sampling and transmission electron microscope (TEM), major gas species concentrations by sampling and gas chromatography, and gas velocities by laser velocimetry. Present measurements of gas species concentrations were in reasonably good agreement with earlier measurements due to Ramer et al. as well as predictions based on the detailed mechanisms of Frenklach and co-workers and Leung and Lindstedt: the predictions also suggest that H atom concentrations are in local thermodynamic equilibrium throughout the soot formation region. Using this information, it was found that measured soot surface growth rates could be correlated successfully by predictions based on the hydrogen-abstraction/carbon-addition (HACA) mechanisms of both Frenklach and co-workers and Colket and Hall, extending an earlier assessment of these mechanisms for premixed ethylene/air flames to conditions having larger H/C ratios and acetylene concentrations. Measured primary soot particle nucleation rates were somewhat lower than the earlier observations for laminar premixed ethylene/air flames and were significantly lower than corresponding rates in laminar diffusion flames. for reasons that still must be explained.

  7. Investigation of soot formation and temperature field in laminar diffusion flames of LPG-air mixture

    Energy Technology Data Exchange (ETDEWEB)

    Shahad, Haroun A.K.; Mohammed, Yassar K.A. [Babylon Univ., Dept. of Mechanical Engineering, Babylon (Israel)

    2000-11-01

    Soot formation and burnout were studied at atmospheric pressure in co-flowing, axisymmetric buoyant laminar diffusion flames and double flames of liquefied petroleum gases (LPG)-air mixtures. In diffusion flames, two different fuel flow rates were examined. In double flames, three different primary air flow rates were examined. A soot sampling probe and a thermocouple were used to measure the local soot mass concentration and flame temperature, respectively. Flame residence time was predicted using a uniformly accelerated motion model as function of axial distance of the flame. The increase of primary air flow rate was found to suppress the energy transfer from the annular region, at which the soot is produced, to the flame axis. The time required to initiate soot formation at the flame axis becomes longer as the primary air is increased. The trend rate of soot formation was found to be similar along the flame axis in all tested diffusion flames. The increase of primary air by 10% of the stoichiometric air requirement of the fuel results in a 70% reduction in maximum soot concentration. The final exhaust of soot, which is determined by the net effect of soot formation and burnout, is much lower in double flames than that in diffusion flames. (Author)

  8. Soot reduction under DC electric fields in counterflow non-premixed laminar ethylene flames

    KAUST Repository

    Park, Daegeun

    2014-04-23

    The effects of DC electric fields on non-premixed ethylene flames in a counterflow burner were studied experimentally with a focus on the reduction of soot particles. The experiment was conducted by connecting a high voltage terminal and a ground terminal to a lower (fuel) and upper (oxidizer) nozzle, respectively. We applied direct current (DC) potentials in a range of -5 kV < Vdc < 5 kV. Uniform electric fields were then generated in the gap between the two nozzles. The experimental conditions were selected to cover both soot formation (SF) and soot formation oxidation (SFO) flames. The flames subjected to the negative electric fields moved toward the fuel nozzle because of an ionic wind due to the Lorentz force acting on the positive ions in the flames. In addition, the yellow luminosity significantly decreased, indicating changes in the sooting characteristics. To analyze the sooting characteristics under the electric fields, planar laser induced incandescence (PLII) and fluorescence (PLIF) techniques were used to visualize the soot, polycyclic aromatic hydrocarbons (PAHs), and OH radicals. The sooting limits in terms of the fuel and oxygen mole fractions were measured. No substantial soot formation due to the effects of the DC electric fields for the tested range of voltages and reactant mole fractions could be identified. The detailed flame behaviors and sooting characteristics under the DC electric fields are discussed. Copyright © Taylor & Francis Group, LLC.

  9. Source identification of individual soot agglomerates in Arctic air by transmission electron microscopy

    Science.gov (United States)

    Weinbruch, S.; Benker, N.; Kandler, K.; Schütze, K.; Kling, K.; Berlinger, B.; Thomassen, Y.; Drotikova, T.; Kallenborn, R.

    2018-01-01

    Individual soot agglomerates collected at four different locations on the Arctic archipelago Svalbard (Norway) were characterised by transmission electron microscopy and energy-dispersive X-ray microanalysis. For source identification of the ambient soot agglomerates, samples from different local sources (coal burning power plants in Longyearbyen and Barentsburg, diesel and oil burning for power generation in Sveagruva and Ny Ålesund, cruise ship) as well as from other sources which may contribute to Arctic soot concentrations (biomass burning, aircraft emissions, diesel engines) were investigated. Diameter and graphene sheet separation distance of soot primary particles were found to be highly variable within each source and are not suited for source identification. In contrast, concentrations of the minor elements Si, P, K, Ca and Fe showed significant differences which can be used for source attribution. The presence/absence of externally mixed particle groups (fly ashes, tar balls, mercury particles) gives additional hints about the soot sources. Biomass/wood burning, ship emissions and coal burning in Barentsburg can be excluded as major source for ambient soot at Svalbard. The coal power plant in Longyearbyen is most likely a major source of soot in the settlement of Longyearbyen but does not contribute significantly to soot collected at the Global Atmosphere Watch station Zeppelin Mountain near Ny Ålesund. The most probable soot sources at Svalbard are aircraft emissions and diesel exhaust as well as long range transport of coal burning emissions.

  10. Comparative Study of Different Methods for Soot Sensing and Filter Monitoring in Diesel Exhausts.

    Science.gov (United States)

    Feulner, Markus; Hagen, Gunter; Hottner, Kathrin; Redel, Sabrina; Müller, Andreas; Moos, Ralf

    2017-02-18

    Due to increasingly tighter emission limits for diesel and gasoline engines, especially concerning particulate matter emissions, particulate filters are becoming indispensable devices for exhaust gas after treatment. Thereby, for an efficient engine and filter control strategy and a cost-efficient filter design, reliable technologies to determine the soot load of the filters and to measure particulate matter concentrations in the exhaust gas during vehicle operation are highly needed. In this study, different approaches for soot sensing are compared. Measurements were conducted on a dynamometer diesel engine test bench with a diesel particulate filter (DPF). The DPF was monitored by a relatively new microwave-based approach. Simultaneously, a resistive type soot sensor and a Pegasor soot sensing device as a reference system measured the soot concentration exhaust upstream of the DPF. By changing engine parameters, different engine out soot emission rates were set. It was found that the microwave-based signal may not only indicate directly the filter loading, but by a time derivative, the engine out soot emission rate can be deduced. Furthermore, by integrating the measured particulate mass in the exhaust, the soot load of the filter can be determined. In summary, all systems coincide well within certain boundaries and the filter itself can act as a soot sensor.

  11. Comparative Study of Different Methods for Soot Sensing and Filter Monitoring in Diesel Exhausts

    Directory of Open Access Journals (Sweden)

    Markus Feulner

    2017-02-01

    Full Text Available Due to increasingly tighter emission limits for diesel and gasoline engines, especially concerning particulate matter emissions, particulate filters are becoming indispensable devices for exhaust gas after treatment. Thereby, for an efficient engine and filter control strategy and a cost-efficient filter design, reliable technologies to determine the soot load of the filters and to measure particulate matter concentrations in the exhaust gas during vehicle operation are highly needed. In this study, different approaches for soot sensing are compared. Measurements were conducted on a dynamometer diesel engine test bench with a diesel particulate filter (DPF. The DPF was monitored by a relatively new microwave-based approach. Simultaneously, a resistive type soot sensor and a Pegasor soot sensing device as a reference system measured the soot concentration exhaust upstream of the DPF. By changing engine parameters, different engine out soot emission rates were set. It was found that the microwave-based signal may not only indicate directly the filter loading, but by a time derivative, the engine out soot emission rate can be deduced. Furthermore, by integrating the measured particulate mass in the exhaust, the soot load of the filter can be determined. In summary, all systems coincide well within certain boundaries and the filter itself can act as a soot sensor.

  12. Effect of NO2 and water on the catalytic oxidation of soot

    DEFF Research Database (Denmark)

    Christensen, Jakob Munkholt; Grunwaldt, Jan-Dierk; Jensen, Anker Degn

    2017-01-01

    The influence of adding NO2 to 10 vol% O2/N2 on non-catalytic soot oxidation and soot oxidation in intimate or loose contact with a catalyst has been investigated. In non-catalytic soot oxidation the oxidation rate is increased significantly at lower temperatures by NO2. For soot oxidation in tig...... exhibited a volcano-curve dependence on the heat of oxygen chemisorption, and among the tested pure metals and oxides Cr2O3 was the most active catalyst. Further improvements were achieved with a FeaCrbOx binary oxide catalyst....

  13. Soot formation characteristics of gasoline surrogate fuels in counterflow diffusion flames

    KAUST Repository

    Choi, Byungchul

    2011-01-01

    The characteristics of polycyclic aromatic hydrocarbon (PAH) and soot for gasoline surrogate fuels have been investigated in counterflow diffusion flames by adopting laser-induced fluorescence (LIF) and laser-induced incandescence (LII) techniques for both soot formation and soot formation/oxidation flames. Tested fuels were three binary mixtures from the primary reference fuels of n-heptane, iso-octane, and toluene. The result showed that PAH and soot maintained near zero level for all mixtures of n-heptane/iso-octane case under present experimental conditions. For n-heptane/toluene and iso-octane/toluene mixtures, PAH initially increased and then decreased with the toluene ratio, exhibiting a synergistic effect. The soot formation increased monotonically with the toluene ratio, however the effect of toluene on soot formation was minimal for relatively small toluene ratios. These results implied that even though toluene had a dominant role in soot and PAH formations, small amount of toluene had a minimal effect on soot formation. Numerical simulations have also been conducted by adopting recently proposed two kinetic mechanisms. The synergistic behavior of aromatic rings was predicted similar to the experimental PAH measurement, however, the degree of the synergistic effect was over-predicted for the soot formation flame, indicating the need for refinements in the kinetic mechanisms. © 2010 Published by Elsevier Inc. on behalf of The Combustion Institute. All rights reserved.

  14. Transport and reaction processes affecting the attenuation of landfill gas in cover soils

    DEFF Research Database (Denmark)

    Molins, S.; Mayer, K.U.; Scheutz, Charlotte

    2008-01-01

    of methane, chlorofluorocarbons, and hydrochlorofluorocarbons to the atmosphere. This study was conducted to investigate the effect of oxidation reactions on the overall gas transport regime and to evaluate, the contributions of various gas transport processes on methane attenuation in landfill cover soils....... For this purpose, a reactive transport model that includes advection and the Dusty Gas Model for simulation of multicomponent gas diffusion was used. The simulations are constrained by data from a series of counter-gradient laboratory experiments. Diffusion typically accounts for over 99% of methane emission...... to the atmosphere. Oxygen supply into the soil column is driven exclusively by diffusion, whereas advection outward offsets part of the diffusive contribution. In the reaction zone, methane consumption reduces the pressure gradient, further decreasing the significance of advection near the top of the column...

  15. Rate of information processing and reaction time of aircraft pilots and non-pilots

    Directory of Open Access Journals (Sweden)

    Werner Barkhuizen

    2002-09-01

    Full Text Available Reaction time and rate of information processing are cited as critical components in the make-up of pilots. A need was identified to establish the validity of various chronometric measures in the selection of pilots. Fifty-eight military and commercial pilots and twenty non-pilots were subjected to Schepers’ Computerised Information Processing Test Battery, which measures reaction time, form discrimination time, colour discrimination time, rate of information processing (perceptual and rate of information processing (conceptual. Five hypotheses and one postulate were formulated and tested. The results indicate that pilots could be differentiated from non-pilots with 92,3% accuracy. However, the results need to be cross-validated before they are used for selection. Opsomming Reaksietyd en tempo van inligtingverwerking word as kritieke komponente in die samestelling van vlieëniers beskou. ‘n Behoefte is geïdentifiseer om die geldigheid van verskeie chronometriese metinge in vlieënierskeuring te bepaal. Agt en vyftig militêre en kommersiële vlieëniers en twintig nie-vlieëniers is onderwerp aan Schepers se Gerekenariseerde Inligtingverwerkingstoets-battery wat reaksietyd, vormdiskriminasietyd, kleurdiskriminasietyd, tempo van inligtingverwerking (perseptueel en tempo van inligtingverwerking (konseptueel meet. Vyf hipoteses en een postulaat is gestel en getoets. Die resultate dui daarop dat vlieëniers met 92,3% akkuraatheid van nievlieëniers onderskei kan word. Die resultate behoort egter eers gekruisvalideer te word voordat dit finaal vir keuring gebruik kan word.

  16. A COMBINED REACTION/PRODUCT RECOVERY PROCESS FOR THE CONTINUOUS PRODUCTION OF BIODIESEL

    Energy Technology Data Exchange (ETDEWEB)

    Birdwell, J.F., Jr.; McFarlane, J.; Schuh, D.L.; Tsouris, C; Day, J.N. (Nu-Energie, LLC); Hullette, J.N. (Nu-Energie, LLC)

    2009-09-01

    Oak Ridge National Laboratory (ORNL) and Nu-Energie, LLC entered into a Cooperative Research And Development Agreement (CRADA) for the purpose of demonstrating and deploying a novel technology for the continuous synthesis and recovery of biodiesel from the transesterification of triglycerides. The focus of the work was the demonstration of a combination Couette reactor and centrifugal separator - an invention of ORNL researchers - that facilitates both product synthesis and recovery from reaction byproducts in the same apparatus. At present, transesterification of triglycerides to produce biodiesel is performed in batch-type reactors with an excess of a chemical catalyst, which is required to achieve high reactant conversions in reasonable reaction times (e.g., 1 hour). The need for long reactor residence times requires use of large reactors and ancillary equipment (e.g., feed and product tankage), and correspondingly large facilities, in order to obtain the economy of scale required to make the process economically viable. Hence, the goal of this CRADA was to demonstrate successful, extended operation of a laboratory-scale reactor/separator prototype to process typical industrial reactant materials, and to design, fabricate, and test a production-scale unit for deployment at the biodiesel production site. Because of its ease of operation, rapid attainment of steady state, high mass transfer and phase separation efficiencies, and compact size, a centrifugal contactor was chosen for intensification of the biodiesel production process. The unit was modified to increase the residence time from a few seconds to minutes*. For this application, liquid phases were introduced into the reactor as separate streams. One was composed of the methanol and base catalyst and the other was the soy oil used in the experiments. Following reaction in the mixing zone, the immiscible glycerine and methyl ester products were separated in the high speed rotor and collected from separate

  17. A COMBINED REACTION/PRODUCT RECOVERY PROCESS FOR THE CONTINUOUS PRODUCTION OF BIODIESEL

    International Nuclear Information System (INIS)

    Birdwell, J.F. Jr.; McFarlane, J.; Schuh, D.L.; Tsouris, C.; Day, J.N.; Hullette, J.N.

    2009-01-01

    Oak Ridge National Laboratory (ORNL) and Nu-Energie, LLC entered into a Cooperative Research And Development Agreement (CRADA) for the purpose of demonstrating and deploying a novel technology for the continuous synthesis and recovery of biodiesel from the transesterification of triglycerides. The focus of the work was the demonstration of a combination Couette reactor and centrifugal separator - an invention of ORNL researchers - that facilitates both product synthesis and recovery from reaction byproducts in the same apparatus. At present, transesterification of triglycerides to produce biodiesel is performed in batch-type reactors with an excess of a chemical catalyst, which is required to achieve high reactant conversions in reasonable reaction times (e.g., 1 hour). The need for long reactor residence times requires use of large reactors and ancillary equipment (e.g., feed and product tankage), and correspondingly large facilities, in order to obtain the economy of scale required to make the process economically viable. Hence, the goal of this CRADA was to demonstrate successful, extended operation of a laboratory-scale reactor/separator prototype to process typical industrial reactant materials, and to design, fabricate, and test a production-scale unit for deployment at the biodiesel production site. Because of its ease of operation, rapid attainment of steady state, high mass transfer and phase separation efficiencies, and compact size, a centrifugal contactor was chosen for intensification of the biodiesel production process. The unit was modified to increase the residence time from a few seconds to minutes*. For this application, liquid phases were introduced into the reactor as separate streams. One was composed of the methanol and base catalyst and the other was the soy oil used in the experiments. Following reaction in the mixing zone, the immiscible glycerine and methyl ester products were separated in the high speed rotor and collected from separate

  18. Variation of diesel soot characteristics by different types and blends of biodiesel in a laboratory combustion chamber

    Energy Technology Data Exchange (ETDEWEB)

    Omidvarborna, Hamid; Kumar, Ashok [Department of Civil Engineering, The University of Toledo, Toledo, OH (United States); Kim, Dong-Shik, E-mail: dong.kim@utoledo.edu [Department of Chemical and Environmental Engineering, The University of Toledo, Toledo, OH (United States)

    2016-02-15

    Very little information is available on the physical and chemical properties of soot particles produced in the combustion of different types and blends of biodiesel fuels. A variety of feedstock can be used to produce biodiesel, and it is necessary to better understand the effects of feedstock-specific characteristics on soot particle emissions. Characteristics of soot particles, collected from a laboratory combustion chamber, are investigated from the blends of ultra-low sulfur diesel (ULSD) and biodiesel with various proportions. Biodiesel samples were derived from three different feedstocks, soybean methyl ester (SME), tallow oil (TO), and waste cooking oil (WCO). Experimental results showed a significant reduction in soot particle emissions when using biodiesel compared with ULSD. For the pure biodiesel, no soot particles were observed from the combustion regardless of their feedstock origins. The overall morphology of soot particles showed that the average diameter of ULSD soot particles is greater than the average soot particles from the biodiesel blends. Transmission electron microscopy (TEM) images of oxidized soot particles are presented to investigate how the addition of biodiesel fuels may affect structures of soot particles. In addition, inductively coupled plasma mass spectrometry (ICP-MS), Fourier transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA) were conducted for characterization of soot particles. Unsaturated methyl esters and high oxygen content of biodiesel are thought to be the major factors that help reduce the formation of soot particles in a laboratory combustion chamber. - Highlights: • The unsaturation of biodiesel fuel was correlated with soot characteristics. • Average diameters of biodiesel soot were smaller than that of ULSD. • Eight elements were detected as the marker metals in biodiesel soot particles. • As the degree of unsaturation increased, the oxygen content in FAMEs increased. • Biodiesel

  19. Processing of emotion words by patients with autism spectrum disorders: evidence from reaction times and EEG.

    Science.gov (United States)

    Lartseva, Alina; Dijkstra, Ton; Kan, Cornelis C; Buitelaar, Jan K

    2014-11-01

    This study investigated processing of emotion words in autism spectrum disorders (ASD) using reaction times and event-related potentials (ERP). Adults with (n = 21) and without (n = 20) ASD performed a lexical decision task on emotion and neutral words while their brain activity was recorded. Both groups showed faster responses to emotion words compared to neutral, suggesting intact early processing of emotion in ASD. In the ERPs, the control group showed a typical late positive component (LPC) at 400-600 ms for emotion words compared to neutral, while the ASD group showed no LPC. The between-group difference in LPC amplitude was significant, suggesting that emotion words were processed differently by individuals with ASD, although their behavioral performance was similar to that of typical individuals.

  20. Graphene oxide for acid catalyzed-reactions: Effect of drying process

    Science.gov (United States)

    Gong, H. P.; Hua, W. M.; Yue, Y. H.; Gao, Z.

    2017-03-01

    Graphene oxides (GOs) were prepared by Hummers method through various drying processes, and characterized by XRD, SEM, FTIR, XPS and N2 adsorption. Their acidities were measured using potentiometric titration and acid-base titration. The catalytic properties were investigated in the alkylation of anisole with benzyl alcohol and transesterification of triacetin with methanol. GOs are active catalysts for both reaction, whose activity is greatly affected by their drying processes. Vacuum drying GO exhibits the best performance in transesterification while freezing drying GO is most active for alkylation. The excellent catalytic behavior comes from abundant surface acid sites as well as proper surface functional groups, which can be obtained by selecting appropriate drying process.

  1. Neutrino-induced charged-current reaction rates for r-process nuclei

    CERN Document Server

    Langanke, K

    2001-01-01

    Neutrino-induced reactions play an important role during and after the r-process if it occurs in an environment with extreme neutrino fluxes, as in the neutrino-driven wind model or neutron star mergers. The neutrino reactions can excite the daughter nucleus above the neutron threshold, which is quite low for r-process nuclei. Thus the daughter nucleus will decay by emission of one or several neutrons. We have calculated the relevant total (nu sub e , e sup -) cross sections as well as the partial neutron spallation cross sections for r-process nuclei with neutron numbers N=41-135 and proton numbers Z=21-82. The supernova neutrino spectrum is described by a Fermi-Dirac distribution with various temperature parameters between T=2.8 MeV and T=10 MeV and with the degeneracy parameters alpha=0 and alpha=3. Our calculations of the nuclear response are based on the random phase approximation and consider allowed as well as forbidden transitions.

  2. Development of Functional Inorganic Materials by Soft Chemical Process Using Ion-Exchange Reactions

    Science.gov (United States)

    Feng, Qi

    Our study on soft chemical process using the metal oxide and metal hydroxide nanosheets obtained by exfoliation their layered compounds were reviewed. Ni(OH)2⁄MnO2 sandwich layered nanostructure can be prepared by layer by-layer stacking of exfoliated manganese oxide nanosheets and nickel hydroxide layers. Manganese oxide nanotubes can be obtained by curling the manganese oxide nanosheets using the cationic surfactants as the template. The layered titanate oriented thin film can be prepared by restacking the titanate nanosheets on a polycrystalline substrate, and transformed to the oriented BaTiO3 and TiO2 thin films by the topotactic structural transformation reactions, respectively. The titanate nanosheets can be transformed anatase-type TiO2 nanocrystals under hydrothermal conditions. The TiO2 nanocrystals are formed by a topotactic structural transformation reaction. The TiO2 nanocrystals prepared by this method expose specific crystal plane on their surfaces, and show high photocatalytic activity and high dye adsorption capacity for high performance dye-sensitized solar cell. A series of layered basic metal salt (LBMS) compounds were prepared by hydrothermal reactions of transition metal hydroxides and organic acids. We succeeded in the exfoliation of these LBMS compounds in alcohol solvents, and obtained the transition metal hydroxide nanosheets for the first time.

  3. Effects of extrusion, infrared and microwave processing on Maillard reaction products and phenolic compounds in soybean.

    Science.gov (United States)

    Zilić, Slađana; Mogol, Burçe Ataç; Akıllıoğlu, Gül; Serpen, Arda; Delić, Nenad; Gökmen, Vural

    2014-01-15

    The Maillard reaction indicators furosine, hydroxymethylfurfural (HMF), acrylamide and color were determined to evaluate heat effects induced during extrusion, infrared and microwave heating of soybean. In addition, the present paper aimed to study changes in the phenolic compounds, as well as in the overall antioxidant properties of different soybean products in relation to heating at 45-140 °C during the processes. Soybean proteins were highly sensible to Maillard reaction and furosine was rapidly formed under slight heating conditions during extrusion and infrared heating. Microwave heating at lower temperatures for a longer time yielded lower acrylamide levels in the final soybean products, as a result of its partial degradation. However, during infrared heating, acrylamide formation greatly increased with decreasing moisture content. After a short time of extrusion and infrared heating at 140 °C and microwave heating at 135 °C for 5 min, concentrations of HMF increased to 11.34, 26.21 and 34.97 µg g(-1), respectively. The heating conditions caused formation of acrylamide, HMF and furosine in high concentration. The results indicate that the complex structure of soybeans provides protection of phenolic compounds from thermal degradation, and that Maillard reaction products improved the antioxidant properties of heat-treated soybean. © 2013 Society of Chemical Industry.

  4. Investigation of Multiscale and Multiphase Flow, Transport and Reaction in Heavy Oil Recovery Processes

    Energy Technology Data Exchange (ETDEWEB)

    Yortsos, Yanis C.

    2002-10-08

    In this report, the thrust areas include the following: Internal drives, vapor-liquid flows, combustion and reaction processes, fluid displacements and the effect of instabilities and heterogeneities and the flow of fluids with yield stress. These find respective applications in foamy oils, the evolution of dissolved gas, internal steam drives, the mechanics of concurrent and countercurrent vapor-liquid flows, associated with thermal methods and steam injection, such as SAGD, the in-situ combustion, the upscaling of displacements in heterogeneous media and the flow of foams, Bingham plastics and heavy oils in porous media and the development of wormholes during cold production.

  5. Morphology and Chemical Composition of soot particles emitted by Wood-burning Cook-Stoves: a HRTEM, XPS and Elastic backscattering Studies.

    Science.gov (United States)

    Carabali-Sandoval, G. A., Sr.; Castro, T.; Peralta, O.; De la Cruz, W.; Días, J.; Amelines, O.; Rivera-Hernández, M.; Varela, A.; Muñoz-Muñoz, F.; Policroniades, R.; Murillo, G.; Moreno, E.

    2014-12-01

    The morphology, microstructure and the chemical composition on surface of soot particles were studied by using high resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS) and elastic backscattering spectrometry. In order to obtain freshly soot particles emitted by home-made wood-burning cook stoves, copper grids for Transmission Electron Microscope (TEM) were placed on the last two of an 8-stages MOUDI cascade impactor. The analysis of HRTEM micrographs revealed the nanostructure and the particle size of soot particles. The XPS survey spectra show a large carbon peak around 285 eV and the oxygen signal at 533 eV. Some differences observed in the carbon/oxygen (C/O) ratio of the particles probably depend on the combustion process efficiency of each cook-stove analyzed. The C-1s XPS spectra show an asymmetric broad peak and other with low intensity that corresponds to sp2 and sp3hybridization, which were fitted with a convolution using Gaussian functions. Elastic backscattering technique allows a chemical elemental analysis of samples and confirms the presence of C, O and Si observed by XPS. Additionally, the morphological properties of soot aggregates were analyzed calculating the border-based fractal dimension (Df). Particles exhibit complex shapes with high values of Df. Also, real-time absorption (σabs) and scattering (σsct) coefficients of fine (with aerodynamic diameter < 2.5 µm) soot particles were measured. The trend in σabs and σsct indicate that the cooking process has two important combustion stages which varied in its flaming strength, being vigorous in the first stage and soft in the second one.

  6. Interactions between magnetite and humic substances: redox reactions and dissolution processes.

    Science.gov (United States)

    Sundman, Anneli; Byrne, James M; Bauer, Iris; Menguy, Nicolas; Kappler, Andreas

    2017-10-19

    Humic substances (HS) are redox-active compounds that are ubiquitous in the environment and can serve as electron shuttles during microbial Fe(III) reduction thus reducing a variety of Fe(III) minerals. However, not much is known about redox reactions between HS and the mixed-valent mineral magnetite (Fe 3 O 4 ) that can potentially lead to changes in Fe(II)/Fe(III) stoichiometry and even dissolve the magnetite. To address this knowledge gap, we incubated non-reduced (native) and reduced HS with four types of magnetite that varied in particle size and solid-phase Fe(II)/Fe(III) stoichiometry. We followed dissolved and solid-phase Fe(II) and Fe(III) concentrations over time to quantify redox reactions between HS and magnetite. Magnetite redox reactions and dissolution processes with HS varied depending on the initial magnetite and HS properties. The interaction between biogenic magnetite and reduced HS resulted in dissolution of the solid magnetite mineral, as well as an overall reduction of the magnetite. In contrast, a slight oxidation and no dissolution was observed when native and reduced HS interacted with 500 nm magnetite. This variability in the solubility and electron accepting and donating capacity of the different types of magnetite is likely an effect of differences in their reduction potential that is correlated to the magnetite Fe(II)/Fe(III) stoichiometry, particle size, and crystallinity. Our study suggests that redox-active HS play an important role for Fe redox speciation within minerals such as magnetite and thereby influence the reactivity of these Fe minerals and their role in biogeochemical Fe cycling. Furthermore, such processes are also likely to have an effect on the fate of other elements bound to the surface of Fe minerals.

  7. Study on Microstructures and Mechanical Properties of Foam Titanium Carbide Ceramics Fabricated by Reaction Sintering Process

    Science.gov (United States)

    Ma, Yana; Bao, Chonggao; Chen, Jie; Song, Suocheng; Han, Longhao

    2018-05-01

    Foam titanium carbide (TiC) ceramics with a three-dimensional network structure were fabricated by the reaction sintering process, in which polyurethane foam was taken as the template, and TiO2 and phenolic resin were used as the reactants. Phase, microstructures and fracture morphologies of foam TiC ceramics were characterized by x-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The results show that when the mass ratios of phenolic resin and TiO2 (F/T) are (0.8-1.2): 1, foam TiC ceramics with pure TiC phase can be formed. As the F/T ratios increase, crystal lattice parameters of fabricated foam TiC ceramics become bigger. When the value of F/T decreases from 1.2 to 0.8, grain size of TiC grows larger and microstructures get denser; meanwhile, the compressive strength increases from 0.10 to 1.05 MPa. Additionally, either raising the sintering temperatures or extending holding time can facilitate the completion of the reaction process and increase the compressive strength.

  8. Investigation of Multiscale and Multiphase Flow, Transport and Reaction in Heavy Oil Recovery Process

    Energy Technology Data Exchange (ETDEWEB)

    Yortsos, Yanis C.; Akkutlu, Yucel; Amilik, Pouya; Kechagia, Persefoni; Lu, Chuan; Shariati, Maryam; Tsimpanogiannis, Ioannis; Zhan, Lang

    2000-01-19

    The emphasis of this work was on investigating the mechanisms and factors that control the recovery of heavy oil, with the objective to improve recovery efficiencies. For this purpose, the interaction of flow, transport and reaction at various scales (from the pore-network to the field scales) were studied. Particular mechanisms investigated included the onset of gas flow in foamy oil production and in in-situ steam drive, gravity drainage in steam process, the development of sustained combustion fronts and the propagation of foams in porous media. Analytical, computational and experimental methods were utilized to advance the state of the art in heavy oil recovery. Successful completion of this research was expected to lead to improvements in the recovery efficiency of various heavy oil processes.

  9. Chemical reaction path modeling of hydrothermal processes on Mars: Preliminary results

    Science.gov (United States)

    Plumlee, Geoffrey S.; Ridley, W. Ian

    1992-01-01

    Hydrothermal processes are thought to have had significant roles in the development of surficial mineralogies and morphological features on Mars. For example, a significant proportion of the Martian soil could consist of the erosional products of hydrothermally altered impact melt sheets. In this model, impact-driven, vapor-dominated hydrothermal systems hydrothermally altered the surrounding rocks and transported volatiles such as S and Cl to the surface. Further support for impact-driven hydrothermal alteration on Mars was provided by studies of the Ries crater, Germany, where suevite deposits were extensively altered to montmorillonite clays by inferred low-temperature (100-130 C) hydrothermal fluids. It was also suggested that surface outflow from both impact-driven and volcano-driven hydrothermal systems could generate the valley networks, thereby eliminating the need for an early warm wet climate. We use computer-driven chemical reaction path calculation to model chemical processes which were likely associated with postulated Martian hydrothermal systems.

  10. Neutrino-induced neutral-current reaction cross sections for r-process nuclei

    CERN Document Server

    Langanke, K

    2002-01-01

    Neutrino-induced reactions play an important role during and after the r-process, if the latter occurs in an environment with extreme neutrino fluxes such as the neutrino-driven wind model or neutron star mergers. Recently we have evaluated the charged-current neutrino-nucleus cross sections relevant for r-process simulations. We extend our approach here to the neutral-current cross sections. Our tabulation considers neutron-rich nuclei with neutron numbers N=41-135 and charge numbers Z=21-82 and lists total as well as partial neutron spallation cross sections. The calculations have been performed within the random phase approximation considering multipole transitions with J<=3 and both parities. The supernova neutrino spectrum is described by a Fermi-Dirac distribution with various temperature parameters between T=2.8 MeV and T=10 MeV and with the degeneracy parameters alpha=0 and alpha=3.

  11. Investigation of Multiscale and Multiphase Flow, Transport and Reaction in Heavy Oil Recovery Processes; SEMIANNUAL

    International Nuclear Information System (INIS)

    Yorstos, Yanis C.

    2002-01-01

    The emphasis of this work was on investigating the mechanisms and factors that control the recovery of heavy oil with the objective to improve recovery efficiencies. For this purpose the interaction of flow transport and reaction at various scales from the pore network to the field scales were studied. Particular mechanisms to be investigated included the onset of gas flow in foamy oil production and in in-situ steam drive, gravity drainage in steam processes, the development of sustained combustion fronts and the propagation of foams in porous media. Analytical, computational and experimental methods were utilized to advance the state of the art in heavy oil recovery. Successful completion of this research was expected to lead to improvements in the Recovery efficiency of various heavy oil processes

  12. A sustainable process to utilize ferrous sulfate waste from titanium oxide industry by reductive decomposition reaction with pyrite

    International Nuclear Information System (INIS)

    Huang, Penghui; Deng, Shaogang; Zhang, Zhiye; Wang, Xinlong; Chen, Xiaodong; Yang, Xiushan; Yang, Lin

    2015-01-01

    Highlights: • A newly developed treating process of ferrous sulfate was proposed. • The reaction process was discussed by thermodynamic analysis. • Thermodynamic analysis was compared with experiments results. • The kinetic model of the decomposition reaction was determined. • The reaction mechanism of autocatalytic reactions was explored. - Abstract: Ferrous sulfate waste has become a bottleneck in the sustainable development of the titanium dioxide industry in China. In this study, we propose a new method for the reductive decomposition of ferrous sulfate waste using pyrite. Thermodynamics analysis, tubular reactor experiments, and kinetics analysis were performed to analyze the reaction process. The results of the thermodynamic simulation showed that the reaction process and products were different when molar ratio of FeSO_4/FeS_2 was changed. The suitable molar ratio of FeSO_4/FeS_2 was 8–12. The reaction temperature of ferrous sulfate with pyrite was 580–770 K and the main products were Fe_3O_4 and SO_2. The simulation results agreed well with the experimental results. The desulphurization rate reached 98.55% and main solid products were Fe_3O_4 at 823.15 K when mole ratio of FeSO_4/FeS_2 was 8. Nano-sized magnetite was obtained at this condition. The kinetic model was investigated by isoconversional methods. The average E value was 244.34 kJ mol"−"1. The ferrous sulfate decomposition process can be treated as autocatalytic reaction mechanism, which corresponded to the expanded Prout–Tompson (Bna) model. The reaction mechanism of autocatalytic reactions during the process of ferrous sulfate decomposition were explored, the products of Fe oxide substances are the catalyst components.

  13. Phosphates (V) recovery from phosphorus mineral fertilizers industry wastewater by continuous struvite reaction crystallization process.

    Science.gov (United States)

    Hutnik, Nina; Kozik, Anna; Mazienczuk, Agata; Piotrowski, Krzysztof; Wierzbowska, Boguslawa; Matynia, Andrzej

    2013-07-01

    Continuous DT MSMPR (Draft Tube Mixed Suspension Mixed Product Removal) crystallizer was provided with typical wastewater from phosphorus mineral fertilizers industry (pH < 4, 0.445 mass % of PO4(3-), inorganic impurities presence), dissolved substrates (magnesium and ammonium chlorides) and solution alkalising the environment of struvite MgNH4PO4·6H2O reaction crystallization process. Research ran in constant temperature 298 K assuming stoichiometric proportions of substrates or 20% excess of magnesium ions. Influence of pH (8.5-10) and mean residence time (900-3600 s) on product size distribution, its chemical composition, crystals shape, size-homogeneity and process kinetics was identified. Crystals of mean size ca. 25-37 μm and homogeneity CV 70-83% were produced. The largest crystals, of acceptable homogeneity, were produced using 20% excess of magnesium ions, pH 9 and mean residence time 3600 s. Under these conditions nucleation rate did not exceed 9 × 10(7) 1/(s m(3)) according to SIG (Size Independent Growth) MSMPR kinetic model. Linear crystal growth rate was 4.27 × 10(-9) m/s. Excess of magnesium ions influenced struvite reaction crystallization process yield advantageously. Concentration of phosphate(V) ions decreased from 0.445 to 9.2 × 10(-4) mass %. This can be regarded as a very good process result. In product crystals, besides main component - struvite, all impurities from wastewater were detected analytically. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Quantitative characterization of steady and time-varying, sooting, laminar diffusion flames using optical techniques

    Science.gov (United States)

    Connelly, Blair C.

    In order to reduce the emission of pollutants such as soot and NO x from combustion systems, a detailed understanding of pollutant formation is required. In addition to environmental concerns, this is important for a fundamental understanding of flame behavior as significant quantities of soot lower local flame temperatures, increase overall flame length and affect the formation of such temperature-dependent species as NOx. This problem is investigated by carrying out coupled computational and experimental studies of steady and time-varying sooting, coflow diffusion flames. Optical diagnostic techniques are a powerful tool for characterizing combustion systems, as they provide a noninvasive method of probing the environment. Laser diagnostic techniques have added advantages, as systems can be probed with high spectral, temporal and spatial resolution, and with species selectivity. Experimental soot volume fractions were determined by using two-dimensional laser-induced incandescence (LII), calibrated with an on-line extinction measurement, and soot pyrometry. Measurements of soot particle size distributions are made using time-resolved LII (TR-LII). Laser-induced fluorescence measurements are made of NO and formaldehyde. These experimental measurements, and others, are compared with computational results in an effort to understand and model soot formation and to examine the coupled relationship of soot and NO x formation.

  15. Microwave-assisted in-situ regeneration of a perovskite coated diesel soot filter

    NARCIS (Netherlands)

    Zhang-Steenwinkel, Y.; van der Zande, L.M.; Castricum, H.L.; Bliek, A.; van den Brink, R.W.; Elzinga, G.D.

    2005-01-01

    Dielectric heating may be used as an in situ technique for the periodic regeneration of soot filters, as those used in Diesel engines. As generally the Diesel exhaust temperatures are below the soot light-off temperature, passive regeneration is not possible. Presently, we have investigated the

  16. Development and implementation of Intelligent Soot Blowing Optimization System for TNB Janamanjung

    Directory of Open Access Journals (Sweden)

    Sundaram Taneshwaren

    2017-01-01

    Full Text Available With an ever increasing demand for energy, Malaysia has become a nation that thrives on solid power generation sector to meet the energy demand and supply market. In a coal fired power plant, soot blowing operation is commonly used as a cleaning mechanism inside the boiler. There are many types of sequence available for this soot blowing operation. Hence, there is no efficient ways in utilizing the soot blowing operation to enhance the efficiency of boiler. Soot blowing optimization requires specific set of data preparation and simulation in order to achieve the best modal. Computational Fluid Dynamics (CFD is used to model a 700MW super-critical boiler, whereby parameters with effect to soot blowing operation is studied. Two different boiler condition is studied to analyze parameters in a clean and faulty boiler. Artificial Neural Network (ANN is used to train neural network modal with back propagation method to determine the best modal that will be used to predict soot blowing operation. Combination of neural network different number of neurons, hidden layers, training algorithm, and training functions is trained to find the modal with lowest error. By improving soot blowing sequence, efficiency of boiler can be improved by providing best parameter and model. This model is then used as a reference for advisory tool whereby a Neural Network Predictive Tool is suggested to the station to predict the soot blowing operation that occurs.

  17. Soot measurements for diesel and biodiesel spray combustion under high temperature highly diluted ambient conditions

    KAUST Repository

    Zhang, Ji; Jing, Wei; Roberts, William L.; Fang, Tiegang

    2014-01-01

    This paper presents the soot temperature and KL factor for biodiesel, namely fatty acid methyl ester (FAME) and diesel fuel combustion in a constant volume chamber using a two-color technique. The KL factor is a parameter for soot concentration

  18. Simulation and analysis of the soot particle size distribution in a turbulent nonpremixed flame

    KAUST Repository

    Lucchesi, Marco; Abdelgadir, Ahmed Gamaleldin; Attili, Antonio; Bisetti, Fabrizio

    2017-01-01

    to the simulation of soot formation and growth in simplified configurations featuring a constant concentration of soot precursors and the evolution of the size distribution in time is found to depend on the intensity of the nucleation rate. Higher nucleation rates

  19. Soot Reactivity in Conventional Combustion and Oxy-fuel Combustion Environments

    DEFF Research Database (Denmark)

    Abián, María; Jensen, Anker D.; Glarborg, Peter

    2012-01-01

    A study of the reactivity of soot produced from ethylene pyrolysis at different temperatures and CO2 atmospheres toward O2 and CO2 has been carried out using a thermogravimetric analyzer. The purpose was to quantify how soot reactivity is affected by the gas environment and temperature history of...

  20. The complex reaction kinetics of neptunium including redox and extraction process in 30% TBP-nitric acid system

    International Nuclear Information System (INIS)

    Hu Zhang; Zhan-yuan Liu; Xian-ming Zhou; Li Li

    2017-01-01

    In order to understand the complex and dynamic neptunium process chemistry in the TBP-HNO_3 system, the kinetics involved reversible redox reaction and extraction mass transfer was investigated. The results indicates that the mass transfer rate of Np(VI) is much faster than the redox reaction in aqueous solution. The concentrations of nitric acid and nitrous acid not only can change the Np(V) oxidation reaction and Np(VI) reduction reaction rate, but also can ultimately determine the distribution of neptunium extraction equilibrium. The variety of temperature can only influence the extraction equilibrium time, but cannot alter the equilibrium state of neptunium. (author)

  1. URDME: a modular framework for stochastic simulation of reaction-transport processes in complex geometries.

    Science.gov (United States)

    Drawert, Brian; Engblom, Stefan; Hellander, Andreas

    2012-06-22

    Experiments in silico using stochastic reaction-diffusion models have emerged as an important tool in molecular systems biology. Designing computational software for such applications poses several challenges. Firstly, realistic lattice-based modeling for biological applications requires a consistent way of handling complex geometries, including curved inner- and outer boundaries. Secondly, spatiotemporal stochastic simulations are computationally expensive due to the fast time scales of individual reaction- and diffusion events when compared to the biological phenomena of actual interest. We therefore argue that simulation software needs to be both computationally efficient, employing sophisticated algorithms, yet in the same time flexible in order to meet present and future needs of increasingly complex biological modeling. We have developed URDME, a flexible software framework for general stochastic reaction-transport modeling and simulation. URDME uses Unstructured triangular and tetrahedral meshes to resolve general geometries, and relies on the Reaction-Diffusion Master Equation formalism to model the processes under study. An interface to a mature geometry and mesh handling external software (Comsol Multiphysics) provides for a stable and interactive environment for model construction. The core simulation routines are logically separated from the model building interface and written in a low-level language for computational efficiency. The connection to the geometry handling software is realized via a Matlab interface which facilitates script computing, data management, and post-processing. For practitioners, the software therefore behaves much as an interactive Matlab toolbox. At the same time, it is possible to modify and extend URDME with newly developed simulation routines. Since the overall design effectively hides the complexity of managing the geometry and meshes, this means that newly developed methods may be tested in a realistic setting already at

  2. Cobalt and KNO{sub 3} supported on alumina catalysts for diesel soot combustion

    Energy Technology Data Exchange (ETDEWEB)

    Grzona, Claudia B. [25 de mayo 284, INTEQUI-CONICET-UNSL, Facultad de Ingenieria y Ciencias Economico-Sociales, Villa Mercedes, 5730 (Argentina); Lick, Ileana D. [Calle 47 No 257, CINDECA (CCT-LaPlata-CONICET-UNLP), Departamento de Quimica, Facultad de Ciencias Exactas, La Plata, 1900 (Argentina); Castellon, Enrique Rodriguez [Departamento de Quimica Inorganica, Cristalografia y Mineralogia, Facultad de Ciencias, Universidad de Malaga, Campus de Teatinos, Malaga, 29071 (Spain); Ponzi, Marta I. [25 de mayo 284, INTEQUI-CONICET-UNSL, Facultad de Ingenieria y Ciencias Economico-Sociales, Villa Mercedes, 5730 (Argentina); Ponzi, Esther N., E-mail: eponzi@quimica.unlp.edu.ar [Calle 47 No 257, CINDECA (CCT-LaPlata-CONICET-UNLP), Departamento de Quimica, Facultad de Ciencias Exactas, La Plata, 1900 (Argentina)

    2010-10-01

    The catalytic combustion of diesel soot was studied in the presence of fresh and aged catalysts: Co/Al{sub 2}O{sub 3}, KNO{sub 3}/Al{sub 2}O{sub 3} and Co/KNO{sub 3}/Al{sub 2}O{sub 3}. The catalysts were prepared by impregnation using nitrate solutions. The catalysts were characterized by X-ray diffraction, thermal programmed reduction, vibrational spectroscopy and X-ray photoelectron spectroscopy. Fresh and aged catalysts present high activity in presence of O{sub 2} and O{sub 2}/NO. The values of the combustion temperature decrease more than 200 deg. C with respect to that observed in the process without catalysis. The activity is associated with the presence of KNO{sub 3} and the role of this salt can be attributed to the contribution of NO{sub 3}{sup -}/NO{sub 2}{sup -} redox cycle.

  3. Cobalt and KNO3 supported on alumina catalysts for diesel soot combustion

    International Nuclear Information System (INIS)

    Grzona, Claudia B.; Lick, Ileana D.; Castellon, Enrique Rodriguez; Ponzi, Marta I.; Ponzi, Esther N.

    2010-01-01

    The catalytic combustion of diesel soot was studied in the presence of fresh and aged catalysts: Co/Al 2 O 3 , KNO 3 /Al 2 O 3 and Co/KNO 3 /Al 2 O 3 . The catalysts were prepared by impregnation using nitrate solutions. The catalysts were characterized by X-ray diffraction, thermal programmed reduction, vibrational spectroscopy and X-ray photoelectron spectroscopy. Fresh and aged catalysts present high activity in presence of O 2 and O 2 /NO. The values of the combustion temperature decrease more than 200 deg. C with respect to that observed in the process without catalysis. The activity is associated with the presence of KNO 3 and the role of this salt can be attributed to the contribution of NO 3 - /NO 2 - redox cycle.

  4. Investigation of mass and energy coupling between soot particles and gas species in modelling ethylene counterflow diffusion flames

    NARCIS (Netherlands)

    Zimmer, L.; Pereira, F.M.; van Oijen, J.A.; de Goey, L.P.H.

    2017-01-01

    A numerical model is developed aiming at investigating soot formation in ethylene counterflow diffusion flames. The mass and energy coupling between soot solid particles and gas-phase species is investigated in detail. A semi-empirical two-equation model is chosen for predicting soot mass fraction

  5. A Progress Review on Soot Experiments and Modeling in the Engine Combustion Network (ECN)

    KAUST Repository

    Skeen, Scott A.

    2016-04-05

    The 4th Workshop of the Engine Combustion Network (ECN) was held September 5-6, 2015 in Kyoto, Japan. This manuscript presents a summary of the progress in experiments and modeling among ECN contributors leading to a better understanding of soot formation under the ECN “Spray A” configuration and some parametric variants. Relevant published and unpublished work from prior ECN workshops is reviewed. Experiments measuring soot particle size and morphology, soot volume fraction (fv), and transient soot mass have been conducted at various international institutions providing target data for improvements to computational models. Multiple modeling contributions using both the Reynolds Averaged Navier-Stokes (RANS) Equations approach and the Large-Eddy Simulation (LES) approach have been submitted. Among these, various chemical mechanisms, soot models, and turbulence-chemistry interaction (TCI) methodologies have been considered.

  6. A Progress Review on Soot Experiments and Modeling in the Engine Combustion Network (ECN)

    KAUST Repository

    Skeen, Scott A.; Manin, Julien; Pickett, Lyle M.; Cenker, Emre; Bruneaux, Gilles; Kondo, Katsufumi; Aizawa, Tets; Westlye, Fredrik; Dalen, Kristine; Ivarsson, Anders; Xuan, Tiemin; Garcia-Oliver, Jose M; Pei, Yuanjiang; Som, Sibendu; Hu, Wang; Reitz, Rolf D.; Lucchini, Tommaso; D'Errico, Gianluca; Farrace, Daniele; Pandurangi, Sushant S.; Wright, Yuri M.; Chishty, Muhammad Aqib; Bolla, Michele; Hawkes, Evatt

    2016-01-01

    The 4th Workshop of the Engine Combustion Network (ECN) was held September 5-6, 2015 in Kyoto, Japan. This manuscript presents a summary of the progress in experiments and modeling among ECN contributors leading to a better understanding of soot formation under the ECN “Spray A” configuration and some parametric variants. Relevant published and unpublished work from prior ECN workshops is reviewed. Experiments measuring soot particle size and morphology, soot volume fraction (fv), and transient soot mass have been conducted at various international institutions providing target data for improvements to computational models. Multiple modeling contributions using both the Reynolds Averaged Navier-Stokes (RANS) Equations approach and the Large-Eddy Simulation (LES) approach have been submitted. Among these, various chemical mechanisms, soot models, and turbulence-chemistry interaction (TCI) methodologies have been considered.

  7. Detection of Soot Using a Resistivity Sensor Device Employing Thermophoretic Particle Deposition

    Directory of Open Access Journals (Sweden)

    Doina Lutic

    2010-01-01

    Full Text Available Results are reported for thermophoretic deposition of soot particles on resistivity sensors as a monitoring technique for diesel exhaust particles with the potential of improved detection limit and sensitivity. Soot with similar characteristics as from diesel exhausts was generated by a propane flame and diluted in stages. The soot in a gas flow at 240–270C∘ was collected on an interdigitated electrode structure held at a considerably lower temperature, 105–125C∘. The time delay for reaching measurable resistance values, the subsequent rate, and magnitude of resistance decrease were a function of the distance between the fingers in the electrodes and the degree of dilution of the soot containing flow. Soot deposition and subsequent removal by heating the sensor support was also performed in a real diesel exhaust. Good similarities between the behavior in our laboratory system and the real diesel exhaust were noticed.

  8. Controlled growth of gold nanoparticles in zeolite L via ion-exchange reactions and thermal reduction processes

    KAUST Repository

    Zeng, Shangjing; Ding, Shuang; Li, Shangyu; Wang, Runwei; Zhang, Zongtao

    2014-01-01

    The growth of gold nanoparticles in zeolite can be controlled using ion-exchange reactions and thermal reduction processes. We produce a number of different sizes of the gold nanoparticles with the particle size increasing with increased temperature

  9. Two-dimensional quantification of soot and flame-soot interaction in spray combustion at elevated pressures - Final report

    Energy Technology Data Exchange (ETDEWEB)

    Gerber, T.

    2008-07-15

    Single-pulse time-resolved laser-induced incandescence (TiRe-LII) signal transients from soot particulates were acquired during unsteady high pressure Diesel combustion in a constant volume cell near top dead centre conditions typically found in a Diesel engine. Measurements were performed for initial gas pressures between 1 MPa and 3 MPa, injection pressures between 50 MPa and 130 MPa and laser probe timings between 5 ms and 16 ms after start of fuel injection. In separate experiments and for the same cell operating conditions, gas temperatures were deduced from spectrally resolved soot pyrometry measurements. Implementing the LII model of Kock et al. ensemble mean soot particle diameters were evaluated from least-squares fitting of theoretical cooling curves to experimental TiRe-LII signal transients. Since in the experiments the environmental gas temperature and the width of an assumed particle size distribution were not known, the effects of the initial choice of these parameters on retrieved particle diameters were investigated. It is shown that evaluated mean particle diameters are only slightly biased by the choice of typical size distribution widths and gas temperatures. For a fixed combustion phase mean particle diameters are not much affected by gas pressure, however they become smaller at high fuel injection pressure. At a mean chamber pressure of 1.4 MPa evaluated mean particle diameters increased by a factor of two for probe delays between 5 ms and 16 ms after start of injection, irrespective of the choices of first-guess fitting variables, indicating a certain robustness of data analysis procedure. (author)

  10. Alternative interpretation of low-energy nuclear reaction processes with deuterated metals based on the Bose-Einstein condensation mechanism

    International Nuclear Information System (INIS)

    Yeong, E. Kim; Passell, Thomas O.

    2006-01-01

    Recently, a generalization of the Bose-Einstein condensation (BEC) mechanism has been made to a ground-state mixture of two different species of positively charged bosons in harmonic traps. The theory has been used to describe (D + Li) reactions in the low energy nuclear reaction (LENR) processes in condensed matter and predicts that the (D + Li) reaction rates can be larger than (D + D) reaction rates by as much as a factor of ∼ 50, implying that (D + Li) reactions may be occurring in addition to the (D + D) reactions. A survey of the existing data from LENR experiments is carried out to check the validity of the theoretical prediction. We conclude that there is compelling experimental evidence which support the theoretical prediction. New experimental tests of the theoretical prediction are suggested. (authors)

  11. Alternative Interpretation of Low-Energy Nuclear Reaction Processes with Deuterated Metals Based on the Bose-Einstein Condensation Mechanism

    Science.gov (United States)

    Kim, Yeong E.; Passell, Thomas O.

    2006-02-01

    Recently, a generalization of the Bose-Einstein condensation (BEC) mechanism has been made to a ground-state mixture of two different species of positively charged bosons in harmonic traps. The theory has been used to describe (D + Li) reactions in the low energy nuclear reaction (LENR) processes in condensed matter and predicts that the (D + Li) reaction rates can be larger than (D + D) reaction rates by as much as a factor of ~50, implying that (D + Li) reactions may be occuring in addition to the (D + D) reactions. A survey of the existing data from LENR experiments is carried out to check the validity of the theoretical prediction. We conclude that there is compelling experimental evidence which support the theoretical prediction. New experimental tests of the theoretical prediction are suggested.

  12. Alternative interpretation of low-energy nuclear reaction processes with deuterated metals based on the Bose-Einstein condensation mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Yeong, E. Kim [Department of Physics, Purdue University, West Lafayette, IN 47907 (United States); Passell, Thomas O. [TOP Consulting, PO Box 336, Palo Alto, CA 94302-0336 (United States)

    2006-07-01

    Recently, a generalization of the Bose-Einstein condensation (BEC) mechanism has been made to a ground-state mixture of two different species of positively charged bosons in harmonic traps. The theory has been used to describe (D + Li) reactions in the low energy nuclear reaction (LENR) processes in condensed matter and predicts that the (D + Li) reaction rates can be larger than (D + D) reaction rates by as much as a factor of {approx} 50, implying that (D + Li) reactions may be occurring in addition to the (D + D) reactions. A survey of the existing data from LENR experiments is carried out to check the validity of the theoretical prediction. We conclude that there is compelling experimental evidence which support the theoretical prediction. New experimental tests of the theoretical prediction are suggested. (authors)

  13. Soot, unburned carbon and ultrafine particle emissions from air- and oxy-coal flames

    International Nuclear Information System (INIS)

    Morris, W.J.; Yu, Dunxi; Wendt, J.O.L.

    2010-01-01

    Oxy-coal combustion is one possible solution for the mitigation of greenhouse gases. In this process coal is burned in oxygen, rather than air, and the temperatures in the boiler are mitigated by recycling flue gases, so that the inlet mixture may contain either 27 % O 2 to match adiabatic flame temperatures, or 32 % O 2 to match gaseous radiation heat fluxes in the combustion chamber. However, a major issue for heat transfer from coal combustion is the radiative heat transmission from soot. For this research, air and oxy coal firing were compared regarding the emission of soot. A 100 kW down-fired laboratory combustor was used to determine effects of switching from air to oxy-firing on soot, unburned carbon and ultrafine particle emissions from practical pulverized coal flames. Of interest here were potential chemical effects of substitution of the N 2 in air by CO 2 in practical pulverized coal flames. The oxy-coal configuration investigated used once-through CO 2 , simulating cleaned flue gas recycle with all contaminants and water removed. Three coals were each burned in: a) air, b) 27 % O 2 / 73 % CO 2 , c) 32 % O 2 / 68 % CO 2 . Tests were conducted at (nominally) 3 %, 2 %, 1 % and 0 % O 2 in the exhaust (dry basis). For each condition, particulate samples were iso kinetically withdrawn far from the radiant zone, and analyzed using a photoacoustic analyzer (PA) for black carbon, a scanning mobility particle sizer (SMPS) for ultrafine particles, and a total sample loss on ignition (LOI) method for unburned carbon in ash. Data suggest that at low stoichiometric ratios, ultrafine particles consist primarily of black carbon, which, for the bituminous coal, is produced in lesser amounts under oxy-fired conditions than under the air-fired condition, even when adiabatic flame temperatures are matched. However, significant changes in mineral matter vaporization were not observed unless the flames were hotter. These and other results are interpreted in the light of

  14. Processing Mechanisms in Hearing-Impaired Listeners: Evidence from Reaction Times and Sentence Interpretation.

    Science.gov (United States)

    Carroll, Rebecca; Uslar, Verena; Brand, Thomas; Ruigendijk, Esther

    The authors aimed to determine whether hearing impairment affects sentence comprehension beyond phoneme or word recognition (i.e., on the sentence level), and to distinguish grammatically induced processing difficulties in structurally complex sentences from perceptual difficulties associated with listening to degraded speech. Effects of hearing impairment or speech in noise were expected to reflect hearer-specific speech recognition difficulties. Any additional processing time caused by the sustained perceptual challenges across the sentence may either be independent of or interact with top-down processing mechanisms associated with grammatical sentence structure. Forty-nine participants listened to canonical subject-initial or noncanonical object-initial sentences that were presented either in quiet or in noise. Twenty-four participants had mild-to-moderate hearing impairment and received hearing-loss-specific amplification. Twenty-five participants were age-matched peers with normal hearing status. Reaction times were measured on-line at syntactically critical processing points as well as two control points to capture differences in processing mechanisms. An off-line comprehension task served as an additional indicator of sentence (mis)interpretation, and enforced syntactic processing. The authors found general effects of hearing impairment and speech in noise that negatively affected perceptual processing, and an effect of word order, where complex grammar locally caused processing difficulties for the noncanonical sentence structure. Listeners with hearing impairment were hardly affected by noise at the beginning of the sentence, but were affected markedly toward the end of the sentence, indicating a sustained perceptual effect of speech recognition. Comprehension of sentences with noncanonical word order was negatively affected by degraded signals even after sentence presentation. Hearing impairment adds perceptual processing load during sentence processing

  15. A Mathematical Model for Reactions During Top-Blowing in the AOD Process: Validation and Results

    Science.gov (United States)

    Visuri, Ville-Valtteri; Järvinen, Mika; Kärnä, Aki; Sulasalmi, Petri; Heikkinen, Eetu-Pekka; Kupari, Pentti; Fabritius, Timo

    2017-06-01

    In earlier work, a fundamental mathematical model was proposed for side-blowing operation in the argon oxygen decarburization (AOD) process. In the preceding part "Derivation of the Model," a new mathematical model was proposed for reactions during top-blowing in the AOD process. In this model it was assumed that reactions occur simultaneously at the surface of the cavity caused by the gas jet and at the surface of the metal droplets ejected from the metal bath. This paper presents validation and preliminary results with twelve industrial heats. In the studied heats, the last combined-blowing stage was altered so that oxygen was introduced from the top lance only. Four heats were conducted using an oxygen-nitrogen mixture (1:1), while eight heats were conducted with pure oxygen. Simultaneously, nitrogen or argon gas was blown via tuyères in order to provide mixing that is comparable to regular practice. The measured carbon content varied from 0.4 to 0.5 wt pct before the studied stage to 0.1 to 0.2 wt pct after the studied stage. The results suggest that the model is capable of predicting changes in metal bath composition and temperature with a reasonably high degree of accuracy. The calculations indicate that the top slag may supply oxygen for decarburization during top-blowing. Furthermore, it is postulated that the metal droplets generated by the shear stress of top-blowing create a large mass exchange area, which plays an important role in enabling the high decarburization rates observed during top-blowing in the AOD process. The overall rate of decarburization attributable to top-blowing in the last combined-blowing stage was found to be limited by the mass transfer of dissolved carbon.

  16. Reaction behavior of SO2 in the sintering process with flue gas recirculation.

    Science.gov (United States)

    Yu, Zhi-Yuan; Fan, Xiao-Hui; Gan, Min; Chen, Xu-Ling; Chen, Qiang; Huang, Yun-Song

    2016-07-01

    The primary goal of this paper is to reveal the reaction behavior of SO2 in the sinter zone, combustion zone, drying-preheating zone, and over-wet zone during flue gas recirculation (FGR) technique. The results showed that SO2 retention in the sinter zone was associated with free-CaO in the form of CaSO3/CaSO4, and the SO2 adsorption reached a maximum under 900ºC. SO2 in the flue gas came almost from the combustion zone. One reaction behavior was the oxidation of sulfur in the sintering mix when the temperature was between 800 and 1000ºC; the other behavior was the decomposition of sulfite/sulfate when the temperature was over 1000ºC. However, the SO2 adsorption in the sintering bed mainly occurred in the drying-preheating zone, adsorbed by CaCO3, Ca(OH)2, and CaO. When the SO2 adsorption reaction in the drying-preheating zone reached equilibrium, the excess SO2 gas continued to migrate to the over-wet zone and was then absorbed by Ca(OH)2 and H2O. The emission rising point of SO2 moved forward in combustion zone, and the concentration of SO2 emissions significantly increased in the case of flue gas recirculation (FGR) technique. Aiming for the reuse of the sensible heat and a reduction in exhaust gas emission, the FGR technique is proposed in the iron ore sintering process. When using the FGR technique, SO2 emission in exhaust gas gets changed. In practice, the application of the FGR technique in a sinter plant should be cooperative with the flue gas desulfurization (FGD) technique. Thus, it is necessary to study the influence of the FGR technique on SO2 emissions because it will directly influence the demand and design of the FGD system.

  17. Investigations of the long-term effects of LII on soot and bath gas

    KAUST Repository

    Cenker, Emre

    2017-08-24

    A combination of high-repetition rate imaging, laser extinction measurements, two-colour soot pyrometry imaging, and high-resolution transmission electron microscopy of thermophoretically sampled soot is used to investigate the long-term and permanent effects of rapid heating of in-flame soot during laser-induced incandescence (LII). Experiments are carried out on a laminar non-premixed co-annular ethylene/air flame with various laser fluences. The high-repetition rate images clearly show that the heated and the neighbouring laser-border zones undergo a permanent transformation after the laser pulse, and advect vertically with the flow while the permanent marking is preserved. The soot volume fraction at the heated zone reduces due to the sublimation of soot and the subsequent enhanced oxidation. At the laser-border zones, however, optical thickness increases that may be due to thermophoretic forces drawing hot particles towards relatively cooler zones and the rapid compression of the bath gas induced by the pressure waves created by the expansion of the desorbed carbon clusters. Additionally sublimed carbon clusters can condense onto existing particles and contribute to increase of the optical thickness. Time-resolved two-colour pyrometry imaging show that the increased temperature of soot both in the heated and neighbouring laser-border zones persists for several milliseconds. This can be associated to the increase in the bath-gas temperature, and a change in the wavelength-dependent emissivity of soot particles induced by the thermal annealing of soot. Ex-situ analysis show that the lattice structure of the soot sampled at the laser-border zones tend to change and soot becomes more graphitic. This may be attributed to thermal annealing induced by elevated temperature.

  18. Molecular modelling investigations on the possibility of phenanthrene dimers to be the primary nuclei of soot

    Science.gov (United States)

    Wei, Mingrui; Wu, Sheng; Li, Fan; Zhang, Dongju; Zhang, Tingting; Guo, Guanlun

    2017-11-01

    Pyrene dimerisation was successfully used to model the beginning of soot nucleation in some simulation models. However, the quantum mechanics (QM) calculations proved that the binding energy of a PAH dimer with three six-member rings was similar to that of a pyrene dimer. Meanwhile, the high concentration of phenanthrene at flame conditions indicated high probability of collisions among them. The small difference of the binding energy and high concentration indicated that PAHs structurally smaller than pyrene also could be involved in soot inception. Hence, binary collisions of phenanthrene were simulated to find out whether phenanthrene dimers can serve as soot primary nuclei or not by using non-equilibrium molecular dynamics (MD). Three temperatures, six collision orientations and 155 initial translational velocities (ITVs) were considered. The results indicated that the number of dimers with lifetime over 10 ps which can serve as soot nuclei decreased from 52 at 1000 K to 17 at 1600 K, and further to 6 at 2400 K, which means that low temperature was more favourable for phenanthrene to form soot nuclei. Meanwhile, no soot nuclei were formed at the high velocity region (HVR), compared to 43 and 9 at low and middle velocity regions (LVR and MVR), respectively, when temperature was 1000 K. Also, no soot nuclei were formed at HVR when the temperature was raised to 1600 K and 2400 K. This indicated that HVR was unfavourable for phenanthrene to form soot nuclei. The results computationally further illustrated that small PAHs such as phenanthrene could serve as soot primary nuclei, since they have similar mole fractions in some flames. This may be useful for future soot simulation models.

  19. Soot particles at an elevated site in eastern China during the passage of a strong cyclone

    Energy Technology Data Exchange (ETDEWEB)

    Niu, Hongya [State Key Laboratory of Coal Resources and Safe Mining, School of Geoscience and Surveying Engineering, China University of Mining and Technology, Beijing 100083 (China); Faculty of Environmental and Symbiotic Sciences, Prefectural University of Kumamoto, Kumamoto 862-8502 (Japan); Shao, Longyi [State Key Laboratory of Coal Resources and Safe Mining, School of Geoscience and Surveying Engineering, China University of Mining and Technology, Beijing 100083 (China); Zhang, Daizhou, E-mail: dzzhang@pu-kumamoto.ac.jp [Faculty of Environmental and Symbiotic Sciences, Prefectural University of Kumamoto, Kumamoto 862-8502 (Japan)

    2012-07-15

    Atmospheric particles larger than 0.2 {mu}m were collected at the top of Mt. Tai (36.25 Degree-Sign N, 117.10 Degree-Sign E, 1534 m a.s.l.) in eastern China in May 2008 during the passage of a strong cyclone. The particles were analyzed with electron microscopes and characterized by morphology, equivalent diameter and elemental composition. Soot particles with coating (coated soot particles) and those without apparent coating (naked soot particles) were predominant in the diameter range smaller than 0.6 {mu}m in all samples. The number-size distribution of the relative abundance of naked soot particles in the prefrontal air was similar to that in the postfrontal air and their size modes were around 0.2-0.3 {mu}m. However, the distribution of inclusions of coated soot particles showed a mode in the range of 0.1-0.3 {mu}m. The coating degree of coated soot particles, which was defined by the ratio of the diameter of inclusion to the diameter of particle body, showed a mode around 0.5 with the range of 0.3-0.6. These results indicate that the status of soot particles in the prefrontal and postfrontal air was similar although air pollution levels were dramatically different. In addition, the relative abundance of accumulation mode particles increased with the decrease of soot particles after the front passage. - Highlights: Black-Right-Pointing-Pointer Particles at an elevated site in eastern China in a strong cyclone were studied. Black-Right-Pointing-Pointer Aged status of soot particles in the prefrontal and postfrontal air was similar. Black-Right-Pointing-Pointer Soot particles in elevated layers could be considered as aged ones.

  20. Candle soot nanoparticles-polydimethylsiloxane composites for laser ultrasound transducers

    Science.gov (United States)

    Chang, Wei-Yi; Huang, Wenbin; Kim, Jinwook; Li, Sibo; Jiang, Xiaoning

    2015-10-01

    Generation of high power laser ultrasound strongly demands the advanced materials with efficient laser energy absorption, fast thermal diffusion, and large thermoelastic expansion capabilities. In this study, candle soot nanoparticles-polydimethylsiloxane (CSNPs-PDMS) composite was investigated as the functional layer for an optoacoustic transducer with high-energy conversion efficiency. The mean diameter of the collected candle soot carbon nanoparticles is about 45 nm, and the light absorption ratio at 532 nm wavelength is up to 96.24%. The prototyped CSNPs-PDMS nano-composite laser ultrasound transducer was characterized and compared with transducers using Cr-PDMS, carbon black (CB)-PDMS, and carbon nano-fiber (CNFs)-PDMS composites, respectively. Energy conversion coefficient and -6 dB frequency bandwidth of the CSNPs-PDMS composite laser ultrasound transducer were measured to be 4.41 × 10-3 and 21 MHz, respectively. The unprecedented laser ultrasound transduction performance using CSNPs-PDMS nano-composites is promising for a broad range of ultrasound therapy applications.

  1. Investigations on an environment friendly chemical reaction process (eco-chemistry). 2; Kankyo ni yasashii kagaku hanno process (eko chemistry) ni kansuru chosa. 2

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-03-01

    In order to structure a chemical reaction process that does not discharge a large amount of waste by-products or harmful chemical substances, or so-called environment friendly process, investigations and discussions were given based on the results derived in the previous fiscal year. A proposal was made to reduce environmental load on development of oxidized and dehydrogenated catalysts that can produce selectively ethylene, propylene and isobutylene in an oxidation process. In liquid phase oxidation, redox-based oxidation and solid catalyzation of automatic oxidation reaction were enumerated. In acid base catalyst reaction, development of ultra strong solid acid was described to structure no pollution discharging process. In the fine chemical and pharmaceutical fields, the optical active substance method and the position-selective aromatics displacement reaction were evaluated to reduce environmental load. A questionnaire survey performed on major chemical corporations inside and outside the country revealed the following processes as the ones that can cause hidden environmental problems: processes discharging large amount of wastes, processes treating dangerous materials, and processes consuming large amount of energy. Development of catalysts is important that can realize high yield, high selectivity and reactions under mild conditions as a future environment harmonizing chemical process. 117 refs., 23 figs., 22 tabs.

  2. Roles of multi-step transfer in fusion process induced by heavy-ion reactions

    International Nuclear Information System (INIS)

    Imanishi, B.; Oertzen, W. von.

    1993-06-01

    In nucleus-nucleus collisions of the systems, 12 C+ 13 C and 13 C+ 16 O- 12 C+ 17 O, the effects of the multi-step transfers and inelastic excitations on the fusion cross sections are investigated in the framework of the coupled-reaction-channel (CRC) method. Strong CRC effects of the multi-step processes are observed. Namely, the valence neutron in 13 C or 17 O plays an important role in the enhancement of the fusion. The potential barrier is effectively lowered with the formation of the covalent molecule of the configuration, 12 C+n+ 12 C or 12 C+n+ 16 O. In the analyses of the system 12 C+ 13 C, however, it is still required to introduce core-core optical potential of lower barrier height in the state of the positive total parity. This could be due to the neck formation with the nucleons contained in two core nuclei. (author)

  3. Acquisition and processing method for human sensorial, sensitive, motory and phonatory circuits reaction times

    International Nuclear Information System (INIS)

    Doche, Claude

    1972-01-01

    This work describes a storage and acquisition device and a method for human sensorial and sensitive motory and phonatory reaction times. The considered circuits are those made with the visual, auditory and sensory receptor organs and the motory or phonatory effector organs. The anatomo-physiological localization of these circuits allows us to appreciate the possibilities of the central nervous system for different angles. The experimental population is made of normal and pathological individuals (individuals having tumoral or vascular, localized or diffused cerebral lesions or parkinsonian individuals). The parameter processing method is based on the multivariate analysis results and allows us to position each individual compared to a normal individual and to appreciate the weight of each circuit in this positioning. Clinical exploitation results give to this method a prognosis and therapeutic interest. It seems though untimely to talk about its diagnosis value. (author) [fr

  4. Synthesis of Cu-coated Graphite Powders Using a Chemical Reaction Process

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Jun-Ho; Park, Hyun-Kuk; Oh, Ik-Hyun [Korea Institute of Industrial Technology (KITECH), Gwangju (Korea, Republic of); Lim, Jae-Won [Chonbuk National University, Jeonju (Korea, Republic of)

    2017-05-15

    In this paper, Cu-coated graphite powders for a low thermal expansion coefficient and a high thermal conductivity are fabricated using a chemical reaction process. The Cu particles adhere to the irregular graphite powders and they homogeneously disperse in the graphite matrix. Cu-coated graphite powders are coarser at approximately 3-4 μm than the initial graphite powders; furthermore, their XRD patterns exhibit a low intensity in the oxide peak with low Zn powder content. For the passivation powders, the transposition solvent content has low values, and the XRD pattern of the oxide peaks is almost non-existent, but the high transposition solvent content does not exhibit a difference to the non-passivation treated powders.

  5. Role of deep inelastic processes in nuclear physics: experimental and theoretical aspects of deep inelastic reactions

    International Nuclear Information System (INIS)

    Moretto, L.G.

    1979-03-01

    The collective modes excited in deep-inelastic reactions and their natural hierarchy provided by their characteristic relaxation times is described. The relaxation of the mass asymmetry mode is discussed in terms of a diffusion process. Charge distributions and angular distributions as a function of Z calculated with this model are in good agreement with experimental data. This diffusion model also treats the transfer of energy and angular momentum in terms of particle transfer, and is successfully compared with experimental γ-ray multiplicities as a function of both Q-value and mass asymmetry. The angular momentum transfer is again considered in connection with the sequential fission of heavy, deep-inelastic fragments and the excitation of collective modes in the exit channel is considered. The role of the giant E1 mode in the equilibration of the neutron-to-proton ratio is discussed. 39 references

  6. Formation of porous surface layers in reaction bonded silicon nitride during processing

    Science.gov (United States)

    Shaw, N. J.; Glasgow, T. K.

    1979-01-01

    Microstructural examination of reaction bonded silicon nitride (RBSN) has shown that there is often a region adjacent to the as-nitrided surfaces that is even more porous than the interior of this already quite porous material. Because this layer of large porosity is considered detrimental to both the strength and oxidation resistance of RBSN, a study was undertaken to determine if its formation could be prevented during processing. All test bars studied were made from a single batch of Si powder which was milled for 4 hours in heptane in a vibratory mill using high density alumina cylinders as the grinding media. After air drying the powder, bars were compacted in a single acting die and hydropressed.

  7. Coupled Transport/Reaction Modelling of Copper Canister Corrosion Aided by Microbial Processes

    Energy Technology Data Exchange (ETDEWEB)

    Jinsong Liu [Royal Institute of Technology, Stockholm (Sweden). Dept. of Chemical Engineering and Technology

    2006-04-15

    Copper canister corrosion is an important issue in the concept of a nuclear fuel repository. Previous studies indicate that the oxygen-free copper canister could hold its integrity for more than 100,000 years in the repository environment. Microbial processes may reduce sulphate to sulphide and considerably increase the amount of sulphides available for corrosion. In this paper, a coupled transport/reaction model is developed to account for the transport of chemical species produced by microbial processes. The corroding agents like sulphide would come not only from the groundwater flowing in a fracture that intersects the canister, but also from the reduction of sulphate near the canister. The reaction of sulphate-reducing bacteria and the transport of sulphide in the bentonite buffer are included in the model. The depth of copper canister corrosion is calculated by the model. With representative 'central values' of the concentrations of sulphate and methane at repository depth at different sites in Fennoscandian Shield the corrosion depth predicted by the model is a few millimetres during 10{sup 5} years. As the concentrations of sulphate and methane are extremely site-specific and future climate changes may significantly influence the groundwater compositions at potential repository sites, sensitivity analyses have been conducted. With a broad perspective of the measured concentrations at different sites in Sweden and in Finland, and some possible mechanisms (like the glacial meltwater intrusion and interglacial seawater intrusion) that may introduce more sulphate into the groundwater at intermediate depths during future climate changes, higher concentrations of either/both sulphate and methane than what is used as the representative 'central' values would be possible. In worst cases. locally, half of the canister thickness could possibly be corroded within 10{sup 5} years.

  8. Coupled Transport/Reaction Modelling of Copper Canister Corrosion Aided by Microbial Processes

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jinsong [Royal Institute of Technology, Stockholm (Sweden). Dept. of Chemical Engineering and Technology

    2006-04-15

    Copper canister corrosion is an important issue in the concept of a nuclear fuel repository. Previous studies indicate that the oxygen-free copper canister could hold its integrity for more than 100,000 years in the repository environment. Microbial processes may reduce sulphate to sulphide and considerably increase the amount of sulphides available for corrosion. In this paper, a coupled transport/reaction model is developed to account for the transport of chemical species produced by microbial processes. The corroding agents like sulphide would come not only from the groundwater flowing in a fracture that intersects the canister, but also from the reduction of sulphate near the canister. The reaction of sulphate-reducing bacteria and the transport of sulphide in the bentonite buffer are included in the model. The depth of copper canister corrosion is calculated by the model. With representative 'central values' of the concentrations of sulphate and methane at repository depth at different sites in Fennoscandian Shield the corrosion depth predicted by the model is a few millimetres during 10{sup 5} years. As the concentrations of sulphate and methane are extremely site-specific and future climate changes may significantly influence the groundwater compositions at potential repository sites, sensitivity analyses have been conducted. With a broad perspective of the measured concentrations at different sites in Sweden and in Finland, and some possible mechanisms (like the glacial meltwater intrusion and interglacial seawater intrusion) that may introduce more sulphate into the groundwater at intermediate depths during future climate changes, higher concentrations of either/both sulphate and methane than what is used as the representative 'central' values would be possible. In worst cases. locally, half of the canister thickness could possibly be corroded within 10{sup 5} years.

  9. Coupled Transport/Reaction Modelling of Copper Canister Corrosion Aided by Microbial Processes

    International Nuclear Information System (INIS)

    Jinsong Liu

    2006-04-01

    Copper canister corrosion is an important issue in the concept of a nuclear fuel repository. Previous studies indicate that the oxygen-free copper canister could hold its integrity for more than 100,000 years in the repository environment. Microbial processes may reduce sulphate to sulphide and considerably increase the amount of sulphides available for corrosion. In this paper, a coupled transport/reaction model is developed to account for the transport of chemical species produced by microbial processes. The corroding agents like sulphide would come not only from the groundwater flowing in a fracture that intersects the canister, but also from the reduction of sulphate near the canister. The reaction of sulphate-reducing bacteria and the transport of sulphide in the bentonite buffer are included in the model. The depth of copper canister corrosion is calculated by the model. With representative 'central values' of the concentrations of sulphate and methane at repository depth at different sites in Fennoscandian Shield the corrosion depth predicted by the model is a few millimetres during 10 5 years. As the concentrations of sulphate and methane are extremely site-specific and future climate changes may significantly influence the groundwater compositions at potential repository sites, sensitivity analyses have been conducted. With a broad perspective of the measured concentrations at different sites in Sweden and in Finland, and some possible mechanisms (like the glacial meltwater intrusion and interglacial seawater intrusion) that may introduce more sulphate into the groundwater at intermediate depths during future climate changes, higher concentrations of either/both sulphate and methane than what is used as the representative 'central' values would be possible. In worst cases. locally, half of the canister thickness could possibly be corroded within 10 5 years

  10. Soot measurements for diesel and biodiesel spray combustion under high temperature highly diluted ambient conditions

    KAUST Repository

    Zhang, Ji

    2014-11-01

    This paper presents the soot temperature and KL factor for biodiesel, namely fatty acid methyl ester (FAME) and diesel fuel combustion in a constant volume chamber using a two-color technique. The KL factor is a parameter for soot concentration, where K is an absorption coefficient and proportional to the number density of soot particles, L is the geometric thickness of the flame along the optical detection axis, and KL factor is proportional to soot volume fraction. The main objective is to explore a combustion regime called high-temperature and highly-diluted combustion (HTHDC) and compare it with the conventional and low-temperature combustion (LTC) modes. The three different combustion regimes are implemented under different ambient temperatures (800 K, 1000 K, and 1400 K) and ambient oxygen concentrations (10%, 15%, and 21%). Results are presented in terms of soot temperature and KL factor images, time-resolved pixel-averaged soot temperature, KL factor, and spatially integrated KL factor over the soot area. The time-averaged results for these three regimes are compared for both diesel and biodiesel fuels. Results show complex combined effects of the ambient temperature and oxygen concentration, and that two-color temperature for the HTHDC mode at the 10% oxygen level can actually be lower than the conventional mode. Increasing ambient oxygen and temperature increases soot temperature. Diesel fuel results in higher soot temperature than biodiesel for all three regimes. Results also show that diesel and biodiesel fuels have very different burning and sooting behavior under the three different combustion regimes. For diesel fuel, the HTHDC regime offers better results in terms of lower soot than the conventional and LTC regimes, and the 10% O2, 1400 K ambient condition shows the lowest soot concentration while maintaining a moderate two-color temperature. For biodiesel, the 15% O2, 800 K ambient condition shows some advantages in terms of reducing soot

  11. Understanding and predicting soot generation in turbulent non-premixed jet flames.

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hai (University of Southern California, Los Angeles, CA); Kook, Sanghoon; Doom, Jeffrey; Oefelein, Joseph Charles; Zhang, Jiayao; Shaddix, Christopher R.; Schefer, Robert W.; Pickett, Lyle M.

    2010-10-01

    This report documents the results of a project funded by DoD's Strategic Environmental Research and Development Program (SERDP) on the science behind development of predictive models for soot emission from gas turbine engines. Measurements of soot formation were performed in laminar flat premixed flames and turbulent non-premixed jet flames at 1 atm pressure and in turbulent liquid spray flames under representative conditions for takeoff in a gas turbine engine. The laminar flames and open jet flames used both ethylene and a prevaporized JP-8 surrogate fuel composed of n-dodecane and m-xylene. The pressurized turbulent jet flame measurements used the JP-8 surrogate fuel and compared its combustion and sooting characteristics to a world-average JP-8 fuel sample. The pressurized jet flame measurements demonstrated that the surrogate was representative of JP-8, with a somewhat higher tendency to soot formation. The premixed flame measurements revealed that flame temperature has a strong impact on the rate of soot nucleation and particle coagulation, but little sensitivity in the overall trends was found with different fuels. An extensive array of non-intrusive optical and laser-based measurements was performed in turbulent non-premixed jet flames established on specially designed piloted burners. Soot concentration data was collected throughout the flames, together with instantaneous images showing the relationship between soot and the OH radical and soot and PAH. A detailed chemical kinetic mechanism for ethylene combustion, including fuel-rich chemistry and benzene formation steps, was compiled, validated, and reduced. The reduced ethylene mechanism was incorporated into a high-fidelity LES code, together with a moment-based soot model and models for thermal radiation, to evaluate the ability of the chemistry and soot models to predict soot formation in the jet diffusion flame. The LES results highlight the importance of including an optically-thick radiation

  12. Reaction sintering process of tyranno SA/SiC composites and their characterization

    International Nuclear Information System (INIS)

    Lee, S.P.; Yoon, H.K.; Park, J.S.; Katoh, Y.; Kohyama, A.; Kim, D.H.; Lee, J.K.

    2002-01-01

    This paper deals with the efficiency of fiber preform preparation route for the fabrication of reaction sintering (RS) SiC f /SiC composites and their characterization, including density, microstructure and mechanical property. The applicability of carbon interfacial layer has been investigated in the RS process. The fiber preform was prepared by the consecutive slurry infiltration process, which associated with the combination of constant gas impregnation pressure and different magnitudes of cold pressure. The consecutive slurry infiltration process used for the preparation of fiber preform can be regarded as a promising technique for high density RS-SiC f /SiC composites, even if their mechanical properties depend on the magnitudes of cold pressure used. RS-SiC f /SiC composites entirely showed the morphology of near stoichiometric SiC phase in the intra-fiber bundle matrix, compared to that in the inter-fiber bundle matrix. The carbon interfacial layer was insufficient for the pseudo-ductile failure of RS-SiC f /SiC composites, even if some amount of fiber pull-out and interfacial delamination was observed in the tensile surface of bending test sample

  13. Characteristics of the probability function for three random-walk models of reaction--diffusion processes

    International Nuclear Information System (INIS)

    Musho, M.K.; Kozak, J.J.

    1984-01-01

    A method is presented for calculating exactly the relative width (sigma 2 )/sup 1/2// , the skewness γ 1 , and the kurtosis γ 2 characterizing the probability distribution function for three random-walk models of diffusion-controlled processes. For processes in which a diffusing coreactant A reacts irreversibly with a target molecule B situated at a reaction center, three models are considered. The first is the traditional one of an unbiased, nearest-neighbor random walk on a d-dimensional periodic/confining lattice with traps; the second involves the consideration of unbiased, non-nearest-neigh bor (i.e., variable-step length) walks on the same d-dimensional lattice; and, the third deals with the case of a biased, nearest-neighbor walk on a d-dimensional lattice (wherein a walker experiences a potential centered at the deep trap site of the lattice). Our method, which has been described in detail elsewhere [P.A. Politowicz and J. J. Kozak, Phys. Rev. B 28, 5549 (1983)] is based on the use of group theoretic arguments within the framework of the theory of finite Markov processes

  14. Tackling the s-process stellar neutron density via the 147Pm(n,?) reaction

    CERN Multimedia

    Branching points along the reaction path of the slow nucleosynthesis process are very special isotopes for which there is competition between neutron capture and β-decay. The accurate knowledge of the decay properties and capture cross sections in the vicinity of these branching points are of key importance for determining the stellar conditions, namely the neutron density and temperature during the main s-process component in low-mass AGB stars. However, accurate values of these quantities, in particular capture cross sections at the corresponding stellar temperatures, are difficult to measure; thus data are very scarce and, when existing, very limited. For the particular and important case of the branching at A=147/148, the main branching point is $^{147}$Pm; for which there was a very challenging and successful activation measurement in 2003 at the stellar neutron energy of kT=25 keV using just 28 ng of material. In the main s-process, however, 95% of the neutron exposure takes place during H-burning epis...

  15. Crystalline state photoreactions direct observation of reaction processes and metastable intermediates

    CERN Document Server

    Ohashi, Yuji

    2014-01-01

    Offering some 300 references, this book focuses on chemical reactions in the crystalline state. The reactions span many fields in inorganic and organic chemistry, making this a useful resource for inorganic, organic and physical chemists and graduate students.

  16. Membrane Processes Based on Complexation Reactions of Pollutants as Sustainable Wastewater Treatments

    Directory of Open Access Journals (Sweden)

    Teresa Poerio

    2009-11-01

    Full Text Available Water is today considered to be a vital and limited resource due to industrial development and population growth. Developing appropriate water treatment techniques, to ensure a sustainable management, represents a key point in the worldwide strategies. By removing both organic and inorganic species using techniques based on coupling membrane processes and appropriate complexing agents to bind pollutants are very important alternatives to classical separation processes in water treatment. Supported Liquid Membrane (SLM and Complexation Ultrafiltration (CP-UF based processes meet the sustainability criteria because they require low amounts of energy compared to pressure driven membrane processes, low amounts of complexing agents and they allow recovery of water and some pollutants (e.g., metals. A more interesting process, on the application point of view, is the Stagnant Sandwich Liquid Membrane (SSwLM, introduced as SLM implementation. It has been studied in the separation of the drug gemfibrozil (GEM and of copper(II as organic and inorganic pollutants in water. Obtained results showed in both cases the higher efficiency of SSwLM with respect to the SLM system configuration. Indeed higher stability (335.5 vs. 23.5 hours for GEM; 182.7 vs. 49.2 for copper(II and higher fluxes (0.662 vs. 0.302 mmol·h-1·m-2 for GEM; 43.3 vs. 31.0 for copper(II were obtained by using the SSwLM. Concerning the CP-UF process, its feasibility was studied in the separation of metals from waters (e.g., from soil washing, giving particular attention to process sustainability such as water and polymer recycle, free metal and water recovery. The selectivity of the CP-UF process was also validated in the separate removal of copper(II and nickel(II both contained in synthetic and real aqueous effluents. Thus, complexation reactions involved in the SSwLM and the CP-UF processes play a key role to meet the sustainability criteria.

  17. High-Pressure-High-Temperature Processing Reduces Maillard Reaction and Viscosity in Whey Protein-Sugar Solutions.

    Science.gov (United States)

    Avila Ruiz, Geraldine; Xi, Bingyan; Minor, Marcel; Sala, Guido; van Boekel, Martinus; Fogliano, Vincenzo; Stieger, Markus

    2016-09-28

    The aim of the study was to determine the influence of pressure in high-pressure-high-temperature (HPHT) processing on Maillard reactions and protein aggregation of whey protein-sugar solutions. Solutions of whey protein isolate containing either glucose or trehalose at pH 6, 7, and 9 were treated by HPHT processing or conventional high-temperature (HT) treatments. Browning was reduced, and early and advanced Maillard reactions were retarded under HPHT processing at all pH values compared to HT treatment. HPHT induced a larger pH drop than HT treatments, especially at pH 9, which was not associated with Maillard reactions. After HPHT processing at pH 7, protein aggregation and viscosity of whey protein isolate-glucose/trehalose solutions remained unchanged. It was concluded that HPHT processing can potentially improve the quality of protein-sugar-containing foods, for which browning and high viscosities are undesired, such as high-protein beverages.

  18. Soot blowing methods and soot steam consumption in Swedish recovery boilers; Sotningsmetoder och sotaangfoerbrukning i svenska sodapannor

    Energy Technology Data Exchange (ETDEWEB)

    Svedin, Kristoffer; Wallin, Erik; Ahlroth, Mikael

    2008-09-15

    The aim with the report was to put together a description of the current state of the sootblowing systems at Swedish recovery boilers, and to explain differences in cleanability and sootblowing efficiency. In chapter 4 a summary of new techniques and alternative soot blowing methods is found. The report is intended for persons working in the pulp industry. To facilitate the benchmarking the recovery boilers have been divided into two groups. Group A comprises recovery boilers which only have one stop per year and the remaining recovery boilers with more than one stop are classified into group B. The following conclusions, based on the recovery boiler design specifications, are of importance to achieve high boiler availability: Low furnace load; High recovery boiler, wide furnace bottom area; Modern air ports; Small or no correlation between cross pitch division in heat surfaces and cleanability could be seen. The expectation was to identify such a relation. However there are doubts on the correctness in reported data. The amount of chlorine and potassium is assumed to affect the cleanability for a few recovery boilers, but for the majority the amounts are low and most likely do not impact the operation. Because of the large impact of the recovery boilers design data (furnace area, load etc.) on the sootblowing, it has been hard to identify the relation cleanability contra sootblowing system. The relations that could be seen are: No distinction between normally designed nozzles and 'high efficiency' nozzles could be identified. The operational conditions for the different models differ a lot and the effect of nozzle type could not be distinguished. Only a minority of the soot blowing sequences are known from the study. In the recovery boilers with problematic areas improvements can be made in the soot blowing sequence. Four recovery boilers are using intelligent soot blowing of some kind. Two of these boilers have low availability and the other two have

  19. Effect of Dopant Loading on the Structural and Catalytic Properties of Mn-Doped SrTiO3 Catalysts for Catalytic Soot Combustion

    Directory of Open Access Journals (Sweden)

    Santiago Iván Suárez-Vázquez

    2018-02-01

    Full Text Available Soot particles have been associated with respiratory diseases and cancer. To decrease these emissions, perovskite-mixed oxides have been proposed due to their thermal stability and redox surface properties. In this work, SrTiO3 doped with different amounts of Mn were synthesized by the hydrothermal method and tested for soot combustion. Results show that at low Mn content, structural distortion, and higher Oads/Olat ratio were observed which was attributed to the high content of Mn3+ in Ti sites. On the other hand, increasing the Mn content led to surface segregation of manganese oxide. All synthesized catalysts showed mesopores in the range of 32–47 nm. In the catalytic combustion of soot, the samples synthesized in this work lowered the combustion temperature by more than 100 °C compared with the uncatalyzed reaction. The sample doped with 1 wt % of Mn showed the best catalytic activity. The activation energy of these samples was also calculated, and the order of decreasing activation energy is as follows: uncatalyzed > Mn0 > Mn8 > Mn4 > Mn1. The best catalytic activity for Mn1 was attributed to its physicochemical properties and the mobility of the oxygen from the bulk to the surface at temperatures higher than 500 °C.

  20. High-throughput approach to the catalytic combustion of diesel soot

    Energy Technology Data Exchange (ETDEWEB)

    Iojoiu, Eduard Emil; Bassou, Badr; Guilhaume, Nolven; Farrusseng, David; Desmartin-Chomel, Arnold; Bianchi, Daniel; Mirodatos, Claude [Institut de recherches sur la catalyse et l' environnement de Lyon IRCELYON, UMR5256 CNRS Universite Lyon 1, 2 avenue Albert Einstein, F-69626 Villeurbanne Cedex (France); Lombaert, Karine [Renault, Diesel Innovative Catalytic Materials, Direction de l' Ingenierie Materiaux, 1 Allee Cornuel, 91510 Lardy (France)

    2008-08-30

    A methodology for the evaluation of diesel soot oxidation catalysts by high-throughput (HT) screening was developed. The optimal experimental conditions (soot amount, catalyst/soot ratio, type of contact, composition and flow rate of gas reactants) ensuring a reliable and reproducible detection of light-off temperatures in a 16 parallel channels reactor were set up. The temperature profile measured in the catalyst/soot bed under TPO conditions when the exothermic combustion of soot takes place was shown to provide an accurate measurement of the ignition. Its reproducibility and relevance were checked. The results obtained with a reference noble metal free catalyst (La{sub 0.8}Cr{sub 0.8}Li{sub 0.2}O{sub 3} perovskite) agree very well with literature data. Qualitative mechanistic features could be derived from these experiments, stressing the likely limiting step of oxygen transfer from catalyst surface to soot particulates to ignite the soot combustion. Ceria material was shown to be more appropriate than perovskite one. From an HT screening of a large diverse library (over 100 mixed oxides catalysts) under optimized conditions, about 10 new formulations were found to perform better than selected noble metal free reference materials. (author)

  1. INVESTIGATION OF MULTISCALE AND MULTIPHASE FLOW, TRANSPORT AND REACTION IN HEAVY OIL RECOVERY PROCESSES

    Energy Technology Data Exchange (ETDEWEB)

    Yannis C. Yortsos

    2003-02-01

    This is final report for contract DE-AC26-99BC15211. The report describes progress made in the various thrust areas of the project, which include internal drives for oil recovery, vapor-liquid flows, combustion and reaction processes and the flow of fluids with yield stress. The report consists mainly of a compilation of various topical reports, technical papers and research reports published produced during the three-year project, which ended on May 6, 2002 and was no-cost extended to January 5, 2003. Advances in multiple processes and at various scales are described. In the area of internal drives, significant research accomplishments were made in the modeling of gas-phase growth driven by mass transfer, as in solution-gas drive, and by heat transfer, as in internal steam drives. In the area of vapor-liquid flows, we studied various aspects of concurrent and countercurrent flows, including stability analyses of vapor-liquid counterflow, and the development of novel methods for the pore-network modeling of the mobilization of trapped phases and liquid-vapor phase changes. In the area of combustion, we developed new methods for the modeling of these processes at the continuum and pore-network scales. These models allow us to understand a number of important aspects of in-situ combustion, including steady-state front propagation, multiple steady-states, effects of heterogeneity and modes of combustion (forward or reverse). Additional aspects of reactive transport in porous media were also studied. Finally, significant advances were made in the flow and displacement of non-Newtonian fluids with Bingham plastic rheology, which is characteristic of various heavy oil processes. Various accomplishments in generic displacements in porous media and corresponding effects of reservoir heterogeneity are also cited.

  2. Competing reaction processes on a lattice as a paradigm for catalyst deactivation

    Science.gov (United States)

    Abad, E.; Kozak, J. J.

    2015-02-01

    We mobilize both a generating function approach and the theory of finite Markov processes to compute the probability of irreversible absorption of a randomly diffusing species on a lattice with competing reaction centers. We consider an N-site lattice populated by a single deep trap, and N -1 partially absorbing traps (absorption probability 0 characteristic Ω =0 and Ω =2 . The results obtained allow a characterization of catalyst deactivation processes on planar surfaces and on catalyst pellets where only a single catalytic site remains fully active (deep trap), the other sites being only partially active as a result of surface poisoning. The central result of our study is that the predicted dependence of the reaction efficiency on system size N and on s is in qualitative accord with previously reported experimental results, notably catalysts exhibiting selective poisoning due to surface sites that have different affinities for chemisorption of the poisoning agent (e.g., acid zeolite catalysts). Deviations from the efficiency of a catalyst with identical sites are quantified, and we find that such deviations display a significant dependence on the topological details of the surface (for fixed values of N and s we find markedly different results for, say, a planar surface and for the polyhedral surface of a catalyst pellet). Our results highlight the importance of surface topology for the efficiency of catalytic conversion processes on inhomogeneous substrates, and in particular for those aimed at industrial applications. From our exact analysis we extract results for the two limiting cases s ≈1 and s ≈0 , corresponding respectively to weak and strong catalyst poisoning (decreasing s leads to a monotonic decrease in the efficiency of catalytic conversion). The results for the s ≈0 case are relevant for the dual problem of light-energy conversion via trapping of excitations in the chlorophyll antenna network. Here, decreasing the probability of excitation

  3. Pharmacist's knowledge, practice and attitudes toward pharmacovigilance and adverse drug reactions reporting process.

    Science.gov (United States)

    Suyagh, Maysa; Farah, Doaa; Abu Farha, Rana

    2015-04-01

    Adverse drug reactions (ADRs) are a major cause of drug related morbidity and mortality. Pharmacovigilance is the science that plays an essential role in the reduction of ADRs, thus the evolution and growth of this science are critical for effective and safe clinical practice. This study is considered the first study in the region to evaluate pharmacist's knowledge, practice and attitudes toward ADRs reporting after establishing the national ADRs reporting center in Jordan. A cross sectional study was used to evaluate pharmacist knowledge and attitude toward ADRs reporting. A structured validated questionnaire was developed for this purpose and a total of 208 pharmacists were recruited to participate in this study. The majority of pharmacists have insufficient awareness and lack of knowledge about pharmacovigilance and ADRs reporting. Also the rate of reporting of ADRs was extremely poor. Several factors were found to discourage pharmacists from reporting ADRs, which include inadequate information available from the patient, unavailability of pharmacist ADRs form when needed, unawareness of the existence of the national ADRs reporting system. Also pharmacists think that ADRs are unimportant or they did not know how to report them. The results of this study suggest that pharmacists have insufficient knowledge about the concept of pharmacovigilance and spontaneous ADRs reporting. On the other hand, pharmacists had positive attitudes toward pharmacovigilance, despite their little experience with ADRs reporting. Educational programs are needed to increase pharmacist's role in the reporting process, and thus to have a positive impact on the overall patient caring process.

  4. On the mathematical modeling of wound healing angiogenesis in skin as a reaction-transport process.

    Science.gov (United States)

    Flegg, Jennifer A; Menon, Shakti N; Maini, Philip K; McElwain, D L Sean

    2015-01-01

    Over the last 30 years, numerous research groups have attempted to provide mathematical descriptions of the skin wound healing process. The development of theoretical models of the interlinked processes that underlie the healing mechanism has yielded considerable insight into aspects of this critical phenomenon that remain difficult to investigate empirically. In particular, the mathematical modeling of angiogenesis, i.e., capillary sprout growth, has offered new paradigms for the understanding of this highly complex and crucial step in the healing pathway. With the recent advances in imaging and cell tracking, the time is now ripe for an appraisal of the utility and importance of mathematical modeling in wound healing angiogenesis research. The purpose of this review is to pedagogically elucidate the conceptual principles that have underpinned the development of mathematical descriptions of wound healing angiogenesis, specifically those that have utilized a continuum reaction-transport framework, and highlight the contribution that such models have made toward the advancement of research in this field. We aim to draw attention to the common assumptions made when developing models of this nature, thereby bringing into focus the advantages and limitations of this approach. A deeper integration of mathematical modeling techniques into the practice of wound healing angiogenesis research promises new perspectives for advancing our knowledge in this area. To this end we detail several open problems related to the understanding of wound healing angiogenesis, and outline how these issues could be addressed through closer cross-disciplinary collaboration.

  5. Material Balance And Reaction Kinetics Modeling For Penex Isomerization Process In Daura Refinery

    Directory of Open Access Journals (Sweden)

    Hamadi Adel Sharif

    2017-01-01

    Full Text Available Penex Deisohexanizer isomerization of light straight run naphtha is a significant process for petroleum refining and proved to be effective technology to produce gasoline components with a high octane number. Modeling of the chemical kinetic reactions is an important tool because it is a better tool for optimization of the experimental data into parameters used for industrial reactors. The present study deals on the isomerization process in Daura refinery. Material balance calculations were done mathematically on the unit for the kinetics prediction purpose. A kinetic mathematical model was derived for the prediction rate constants K1 and K2 and activation energy Ea at operating temperatures range 120-180°C. According to the model, the results show that with increasing of temperature leads to increased K1 directly, where the K2 values proportional inversely. The activation energy results show that Ea1(nC6

  6. Damköhler number effects on soot formation and growth in turbulent nonpremixed flames

    KAUST Repository

    Attili, Antonio

    2015-01-01

    The effect of Damköhler number on turbulent nonpremixed sooting flames is investigated via large scale direct numerical simulation in three-dimensional n-heptane/air jet flames at a jet Reynolds number of 15,000 and at three different Damköhler numbers. A reduced chemical mechanism, which includes the soot precursor naphthalene, and a high-order method of moments are employed. At the highest Damköhler number, local extinction is negligible, while flames holes are observed in the two lowest Damköhler number cases. Compared to temperature and other species controlled by fuel oxidation chemistry, naphthalene is found to be affected more significantly by the Damköhler number. Consequently, the overall soot mass fraction decreases by more than one order of magnitude for a fourfold decrease of the Damköhler number. On the contrary, the overall number density of soot particles is approximately the same, but its distribution in mixture fraction space is different in the three cases. The total soot mass growth rate is found to be proportional to the Damköhler number. In the two lowest Da number cases, soot leakage across the flame is observed. Leveraging Lagrangian statistics, it is concluded that soot leakage is due to patches of soot that cross the stoichiometric surface through flame holes. These results show the leading order effects of turbulent mixing in controlling the dynamics of soot in turbulent flames. © 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

  7. Soot and liquid-phase fuel distributions in a newly designed optically accessible DI diesel engine

    Science.gov (United States)

    Dec, J. E.; Espey, C.

    1993-10-01

    Two-dimensional (2-D) laser-sheet imaging has been used to examine the soot and liquid-phase fuel distributions in a newly designed, optically accessible, direct-injection diesel engine of the heavy-duty size class. The design of this engine preserves the intake port geometry and basic dimensions of a Cummins N-series production engine. It also includes several unique features to provide considerable optical access. Liquid-phase fuel and soot distribution studies were conducted at a medium speed (1,200 rpm) using a Cummins closed-nozzle fuel injector. The scattering was used to obtain planar images of the liquid-phase fuel distribution. These images show that the leading edge of the liquid-phase portion of the fuel jet reaches a maximum length of 24 mm, which is about half the combustion bowl radius for this engine. Beyond this point virtually all the fuel has vaporized. Soot distribution measurements were made at a high load condition using three imaging diagnostics: natural flame luminosity, 2-D laser-induced incandescence, and 2-D elastic scattering. This investigation showed that the soot distribution in the combusting fuel jet develops through three stages. First, just after the onset of luminous combustion, soot particles are small and nearly uniformly distributed throughout the luminous region of the fuel jet. Second, after about 2 crank angle degrees a pattern develops of a higher soot concentration of larger sized particles in the head vortex region of the jet and a lower soot concentration of smaller sized particles upstream toward the injector. Third, after fuel injection ends, both the soot concentration and soot particle size increase rapidly in the upstream portion of the fuel jet.

  8. Developing a predictive model for the chemical composition of soot nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Violi, Angela [Univ. of Michigan, Ann Arbor, MI (United States); Michelsen, Hope [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Hansen, Nils [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Wilson, Kevin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2017-04-07

    In order to provide the scientific foundation to enable technology breakthroughs in transportation fuel, it is important to develop a combustion modeling capability to optimize the operation and design of evolving fuels in advanced engines for transportation applications. The goal of this proposal is to develop a validated predictive model to describe the chemical composition of soot nanoparticles in premixed and diffusion flames. Atomistic studies in conjunction with state-of-the-art experiments are the distinguishing characteristics of this unique interdisciplinary effort. The modeling effort has been conducted at the University of Michigan by Prof. A. Violi. The experimental work has entailed a series of studies using different techniques to analyze gas-phase soot precursor chemistry and soot particle production in premixed and diffusion flames. Measurements have provided spatial distributions of polycyclic aromatic hydrocarbons and other gas-phase species and size and composition of incipient soot nanoparticles for comparison with model results. The experimental team includes Dr. N. Hansen and H. Michelsen at Sandia National Labs' Combustion Research Facility, and Dr. K. Wilson as collaborator at Lawrence Berkeley National Lab's Advanced Light Source. Our results show that the chemical and physical properties of nanoparticles affect the coagulation behavior in soot formation, and our results on an experimentally validated, predictive model for the chemical composition of soot nanoparticles will not only enhance our understanding of soot formation since but will also allow the prediction of particle size distributions under combustion conditions. These results provide a novel description of soot formation based on physical and chemical properties of the particles for use in the next generation of soot models and an enhanced capability for facilitating the design of alternative fuels and the engines they will power.

  9. Reaction Mechanisms and HCCI Combustion Processes of Mixtures of n-Heptane and the Butanols

    Directory of Open Access Journals (Sweden)

    Hu eWang

    2015-03-01

    Full Text Available A reduced primary reference fuel (PRF-Alcohol-Di-tert-butyl Peroxide (DTBP mechanism with 108 species and 435 reactions, including sub-mechanisms of PRF, methanol, ethanol, DTBP and the four butanol isomers, is proposed for homogeneous charge compression ignition (HCCI engine combustion simulations of butanol isomers/n-heptane mixtures. HCCI experiments fuelled with butanol isomer/n-heptane mixtures on two different engines are conducted for the validation of proposed mechanism. The mechanism has been validated against shock tube ignition delays, laminar flame speeds, species profiles in premixed flames and engine HCCI combustion data, and good agreements with experimental results are demonstrated under various validation conditions. It is found that although the reactivity of neat tert-butanol is the lowest, mixtures of tert-butanol/n-heptane exhibit the highest reactivity among the butanol isomer/n-heptane mixtures if the n-heptane blending ratio exceeds 20% (mole. Kinetic analysis shows that the highest C-H bond energy in the tert-butanol molecule is partially responsible for this phenomenon. It is also found that the reaction tC4H9OH+CH3O2 =tC4H9O+CH3O2H plays important role and eventually produces the OH radical to promote the ignition and combustion. The proposed mechanism is able to capture HCCI combustion processes of the butanol/n-heptane mixtures under different operating conditions. In addition, the trend that tert-butanol /n-heptane has the highest reactivity is also captured in HCCI combustion simulations. The results indicate that the current mechanism can be used for HCCI engine predictions of PRF and alcohol fuels.

  10. Subsonic aircraft soot. A tracer documenting barriers to inter-hemispheric mixing

    Energy Technology Data Exchange (ETDEWEB)

    Pueschel, R F [NASA Ames Research Center, Moffett Field, CA (United States)

    1998-12-31

    Meridional observations of soot aerosols and radioactive {sup 14}C, and models of the geographic distribution of nuclear bomb-released {sup 14}C and aircraft-emitted NO{sub x}, all show strong gradients between the hemispheres. Reason for it are decade-long inter-hemispheric mixing times which are much in excess of yearlong stratospheric residence times of tracers. Vertical mixing of soot aerosol is not corroborated by {sup 14}C observations. The reason could be radiometric forces that act on strongly absorbing soot. (author) 10 refs.

  11. Subsonic aircraft soot. A tracer documenting barriers to inter-hemispheric mixing

    Energy Technology Data Exchange (ETDEWEB)

    Pueschel, R.F. [NASA Ames Research Center, Moffett Field, CA (United States)

    1997-12-31

    Meridional observations of soot aerosols and radioactive {sup 14}C, and models of the geographic distribution of nuclear bomb-released {sup 14}C and aircraft-emitted NO{sub x}, all show strong gradients between the hemispheres. Reason for it are decade-long inter-hemispheric mixing times which are much in excess of yearlong stratospheric residence times of tracers. Vertical mixing of soot aerosol is not corroborated by {sup 14}C observations. The reason could be radiometric forces that act on strongly absorbing soot. (author) 10 refs.

  12. Effect of the Reduction Temperature of PdAg Nanoparticles during the Polyol Process in the Ethanol Electrooxidation Reaction

    OpenAIRE

    Carrera-Cerritos, R.; Salazar-Hernandez, C.; Galindo-Esquivel, I. R.; Fuentes-Ramirez, R.

    2018-01-01

    This work reports the effect of reduction temperature during the synthesis of PdAg catalysts through the polyol process and their evaluation in the ethanol electrooxidation reaction (EOR). The characterization was performed using Transmission Electron Microscopy (TEM) and X-Ray Diffraction (XRD). The electrochemical evaluation for the ethanol electrooxidation reaction was implemented in alkaline medium using chronoamperometry (CA) and cyclic voltammetry (CV). An important effect of the reduct...

  13. Bayesian estimation for quantification by real-time polymerase chain reaction under a branching process model of the DNA molecules amplification process

    NARCIS (Netherlands)

    Lalam, N.; Jacob, C.

    2007-01-01

    The aim of Quantitative Polymerase Chain Reaction is to determine the initial amount X0 of specific nucleic acids from an observed trajectory of the amplification process, the amplification being achieved through successive replication cycles. This process depends on the efficiency fpngn of

  14. F/Cl + C2H2 reactions: Are the addition and hydrogen abstraction direct processes?

    International Nuclear Information System (INIS)

    Li Jilai; Geng Caiyun; Huang Xuri; Zhan Jinhui; Sun Chiachung

    2006-01-01

    The reactions of atomic radical F and Cl with acetylene have been studied theoretically using ab initio quantum chemistry methods and transition state theory. The doublet potential energy surfaces were calculated at the CCSD(T)/aug-cc-pVDZ//CCSD/6-31G(d,p), CCSD(T)/aug-cc-pVDZ//UMP2/6-311++G(d,p) and compound method Gaussian-3 levels. Two reaction mechanisms including the addition-elimination and the hydrogen abstraction reaction mechanisms are considered. In the addition-elimination reactions, the halogen atoms approach C 2 H 2 , perpendicular to the C≡C triple bond, forming the pre-reactive complex C1 at the reaction entrance. C1 transforms to intermediate isomer I1 via transition state TSC1/1 with a negative/small barrier for C 2 H 2 F/C 2 H 2 Cl system, which can proceed by further eliminating H atom endothermally. While the hydrogen abstraction reactions also involve C1 for the fluorine atom abstraction of hydrogen, yet the hydrogen abstraction by chlorine atom first forms a collinear hydrogen-bonded complex C2. The other reaction pathways on the doublet PES are less competitive due to thermodynamical or kinetic factors. According to our results, the presence of pre-reactive complexes indicates that the simple hydrogen abstraction and addition in the halogen atoms reaction with unsaturated hydrocarbon should be more complex. Furthermore, based on the analysis of the kinetics of all channels through which the addition and abstraction reactions proceed, we expect that the actual feasibility of the reaction channels may depend on the reaction conditions in the experiment. The present study may be helpful for probing the mechanisms of the title reactions and understanding the halogen chemistry

  15. Chemiluminescence development after initiation of Maillard reaction in aqueous solutions of glycine and glucose: nonlinearity of the process and cooperative properties of the reaction system

    Science.gov (United States)

    Voeikov, Vladimir L.; Naletov, Vladimir I.

    1998-06-01

    Nonenzymatic glycation of free or peptide bound amino acids (Maillard reaction, MR) plays an important role in aging, diabetic complications and atherosclerosis. MR taking place at high temperatures is accompanied by chemiluminescence (CL). Here kinetics of CL development in MR proceeding in model systems at room temperature has been analyzed for the first time. Brief heating of glycine and D-glucose solutions to t greater than 93 degrees Celsius results in their browning and appearance of fluorescencent properties. Developed In solutions rapidly cooled down to 20 degrees Celsius a wave of CL. It reached maximum intensity around 40 min after the reaction mixture heating and cooling it down. CL intensity elevation was accompanied by certain decoloration of the solution. Appearance of light absorbing substances and development of CL depended critically upon the temperature of preincubation (greater than or equal to 93 degrees Celsius), initial pH (greater than or equal to 11,2), sample volume (greater than or equal to 0.5 ml) and reagents concentrations. Dependence of total counts accumulation on a system volume over the critical volume was non-monotonous. After reaching maximum values CL began to decline, though only small part of glucose and glycin had been consumed. Brief heating of such solutions to the critical temperature resulted in emergence of a new CL wave. This procedure could be repeated in one and the same reaction system for several times. Whole CL kinetic curve best fitted to lognormal distribution. Macrokinetic properties of the process are characteristic of chain reactions with delayed branching. Results imply also, that self-organization occurs in this system, and that the course of the process strongly depends upon boundary conditions and periodic interference in its course.

  16. Modeling of multiphase flow with solidification and chemical reaction in materials processing

    Science.gov (United States)

    Wei, Jiuan

    Understanding of multiphase flow and related heat transfer and chemical reactions are the keys to increase the productivity and efficiency in industrial processes. The objective of this thesis is to utilize the computational approaches to investigate the multiphase flow and its application in the materials processes, especially in the following two areas: directional solidification, and pyrolysis and synthesis. In this thesis, numerical simulations will be performed for crystal growth of several III-V and II-VI compounds. The effects of Prandtl and Grashof numbers on the axial temperature profile, the solidification interface shape, and melt flow are investigated. For the material with high Prandtl and Grashof numbers, temperature field and growth interface will be significantly influenced by melt flow, resulting in the complicated temperature distribution and curved interface shape, so it will encounter tremendous difficulty using a traditional Bridgman growth system. A new design is proposed to reduce the melt convection. The geometric configuration of top cold and bottom hot in the melt will dramatically reduce the melt convection. The new design has been employed to simulate the melt flow and heat transfer in crystal growth with large Prandtl and Grashof numbers and the design parameters have been adjusted. Over 90% of commercial solar cells are made from silicon and directional solidification system is the one of the most important method to produce multi-crystalline silicon ingots due to its tolerance to feedstock impurities and lower manufacturing cost. A numerical model is developed to simulate the silicon ingot directional solidification process. Temperature distribution and solidification interface location are presented. Heat transfer and solidification analysis are performed to determine the energy efficiency of the silicon production furnace. Possible improvements are identified. The silicon growth process is controlled by adjusting heating power and

  17. Nitro-PAH formation studied by interacting artificially PAH-coated soot aerosol with NO 2 in the temperature range of 295-523 K

    Science.gov (United States)

    Carrara, Matteo; Wolf, Jan-Christoph; Niessner, Reinhard

    2010-10-01

    Diesel particulate matter poses a threat to human health, and in particular nitrated polycyclic aromatic hydrocarbons (NPAHs) found within and on the surface of these particles. Although diesel particulate filters (DPFs) have been designed and implemented to reduce these and other harmful diesel emissions, the particle loaded filters may act as a reaction chamber for the enhanced production of NPAHs from the nitration of PAHs with NO 2. Focus is on the investigation of the heterogeneous reactions that occur on soot particles by exposing laboratory produced pyrene- or benzo(a)pyrene-coated spark discharge soot particles to varying concentrations of NO 2 and temperatures while following the formation of products over time. The sole nitration product that was observed throughout the experiments with pyrene-coated soot was 1-nitropyrene (1-NPYR), which increased linearly with reaction time for all NO 2 concentrations chosen (0.11, 1.0, 2.0, 4.0 ppm, m m -1). Resulting 1-NPYR formation rate increased exponentially with [NO 2]. Throughout the 3-h experiments less than 10% of pyrene has been converted to 1-NPYR and the partial reaction order with regard to [NO 2] was estimated to 1.52. Benzo(a)pyrene (BaP) was more reactive than pyrene. After 3 h reaction time almost 80% of the BaP has been converted to 6-NBaP. Highest 1-NPYR concentrations on particles were detected at 373 K, and at higher temperatures a considerable decrease in particulate 1-NPYR was observed. A similar trend was observed in a DPF simulation system (PM-Kat ®-like) with BaP-coated soot. In this case, highest 6-NBaP concentration on particles was detected at 423 K. Backed by corroborating results from separate gas/solid-phase partition experiments with 1-NPYR and 6-NBaP, it is likely that the newly formed 1-NPYR and 6-NBaP became transferred from particle to gas phase at higher temperatures. Results from this study confirm the presence of 1-NPYR and 6-NBaP in particulate and gas phase under conditions

  18. Cintichem modified process - {sup 99}Mo precipitation step: application of statistical analysis tools over the reaction parameters

    Energy Technology Data Exchange (ETDEWEB)

    Teodoro, Rodrigo; Dias, Carla R.B.R.; Osso Junior, Joao A., E-mail: jaosso@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Fernandez Nunez, Eutimio Gustavo [Universidade de Sao Paulo (EP/USP), SP (Brazil). Escola Politecnica. Dept. de Engenharia Quimica

    2011-07-01

    Precipitation of {sup 99}Mo by {alpha}-benzoin oxime ({alpha}-Bz) is a standard precipitation method for molybdenum due the high selectivity of this agent. Nowadays, statistical analysis tools have been employed in analytical systems to prove its efficiency and feasibility. IPEN has a project aiming the production of {sup 99}Mo by the fission of {sup 235}U route. The processing uses as the first step the precipitation of {sup 99}Mo with {alpha}-Bz. This precipitation step involves many key reaction parameters. The aim of this work is based on the development of the already known acidic route to produce {sup 99}Mo as well as the optimization of the reactional parameters applying statistical tools. In order to simulate {sup 99}Mo precipitation, the study was conducted in acidic media using HNO{sub 3}, {alpha}Bz as precipitant agent and NaOH /1%H{sub 2}O{sub 2} as dissolver solution. Then, a Mo carrier, KMnO{sub 4} solutions and {sup 99}Mo tracer were added to the reaction flask. The reactional parameters ({alpha}-Bz/Mo ratio, Mo carrier, reaction time and temperature, and cooling reaction time before filtration) were evaluated under a fractional factorial design of resolution V. The best values of each reactional parameter were determined by a response surface statistical planning. The precipitation and recovery yields of {sup 99}Mo were measured using HPGe detector. Statistical analysis from experimental data suggested that the reactional parameters {alpha}-Bz/Mo ratio, reaction time and temperature have a significant impact on {sup 99}Mo precipitation. Optimization statistical planning showed that higher {alpha}Bz/Mo ratios, room temperature, and lower reaction time lead to higher {sup 99}Mo yields. (author)

  19. Scaling analysis in modeling transport and reaction processes a systematic approach to model building and the art of approximation

    CERN Document Server

    Krantz, William B

    2007-01-01

    This book is unique as the first effort to expound on the subject of systematic scaling analysis. Not written for a specific discipline, the book targets any reader interested in transport phenomena and reaction processes. The book is logically divided into chapters on the use of systematic scaling analysis in fluid dynamics, heat transfer, mass transfer, and reaction processes. An integrating chapter is included that considers more complex problems involving combined transport phenomena. Each chapter includes several problems that are explained in considerable detail. These are followed by several worked examples for which the general outline for the scaling is given. Each chapter also includes many practice problems. This book is based on recognizing the value of systematic scaling analysis as a pedagogical method for teaching transport and reaction processes and as a research tool for developing and solving models and in designing experiments. Thus, the book can serve as both a textbook and a reference boo...

  20. Diffusion processes in the relaxed cross sections for the reaction 107109Ag+20Ne

    International Nuclear Information System (INIS)

    Babinet, R.; Moretto, L.G.; Galin, J.; Jared, R.; Moulton, J.; Thompson, S.G.

    1976-01-01

    The fragments emitted in the reaction 107 109 Ag+ 20 Ne at 175 and 252 MeV bombarding energy have been identified in charge up to Z=32. Kinetic energy distributions, cross sections and angular distributions have been measured for each Z. The kinetic energy spectra show the two usual components: the quasielastic component and the relaxed component. The Z-distribution of the latter is fairly flat, slowly decreasing up to Z approximately 15 and then rising again up to Z=30. The variations in the Z-distribution are more pronounced at the lower bombarding energy. The angular distributions associated with the relaxed component are forward peaked for Z-values close to that of the projectile and behave like 1/sintheta for larger Z-values. The forward peaking is very substantial for Z 10 the forward peaking in excess of 1/sintheta disappears around Z=15. These features are interpreted in terms of a diffusion process along the asymmetry coordinate of a short-lived intermediate complex. (Auth.)

  1. Incorporating a quiz into informed consent processes: Qualitative study of participants' reactions

    Directory of Open Access Journals (Sweden)

    Marsh Vicki

    2007-11-01

    Full Text Available Abstract Background Formal checks of participant understanding are now widely recommended to improve informed consent processes. However, the views of the participants these assessments are designed to protect are rarely considered. In this paper the findings of a qualitative study aimed at documenting community reactions to a semi-structured questionnaire ('quiz' are reported. The quiz was administered to 189 mothers after consenting for their children to participate in a malaria vaccine trial on the Kenyan Coast. Methods Once the malaria vaccine trial was underway, focus group discussions were held with some of these mothers (nine groups; 103 mothers, and with community-based field staff attached to the malaria vaccine trial (two groups of five workers. Individual interviews with other trial staff were also held. Results The quiz prompted community members to voice concerns about blood sampling and vaccine side-effects, thereby encouraging additional discussions and interactions between the research team and potential study participants. However, it also caused significant upset and concern. Some of the quiz questions, or the way in which they were asked, appeared to fuel misconceptions and fears, with potentially negative consequences for both the study and community members. Conclusion Formal approaches to checking study understanding should be employed with sensitivity and caution. They are influenced by and impact upon complex social relationships between and among researchers and community members. Adequate consideration of these contexts in assessments of understanding, and in responding to the issues raised, requires strong social science capacity.

  2. Synthesis of palladium-doped silica nanofibers by sol-gel reaction and electrospinning process

    Energy Technology Data Exchange (ETDEWEB)

    San, Thiam Hui; Daud, Wan Ramli Wan; Kadhum, Abdul Amir Hassan; Mohamad, Abu Bakar; Kamarudin, Siti Kartom; Shyuan, Loh Kee; Majlan, Edy Herianto [Fuel Cell Institute, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor (Malaysia); Fuel Cell Institute, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor, Malaysia and Department of Chemical and Process Engineering, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor (Malaysia); Fuel Cell Institute, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor (Malaysia)

    2012-06-29

    Nanofiber is drawing great attention nowadays with their high surface area per volume and flexibility in surface functionalities that make them favorable as a proton exchange membrane in fuel cell application. In this study, incorporation of palladium nanoparticles in silica nanofibers was prepared by combination of a tetraorthosilane (TEOS) sol-gel reaction with electrospinning process. This method can prevent the nanoparticles from aggregation by direct mixing of palladium nanoparticles in silica sol. The as-produced electrospun fibers were thermally treated to remove poly(vinyl pyrrolidone) (PVP) and condensation of silanol in silica framework. PVP is chosen as fiber shaping agent because of its insulting and capping properties for various metal nanoparticles. Scanning electron microscopy (SEM), energy dispersive spectrometer (EDS) and Fourier transform infrared spectroscopy (FTIR) were used to characterize the silica fibers and Pd nanoparticles on the fibers. Spun fibers with average diameter ranged from 100nm to 400nm were obtained at optimum operating condition and distribution of Pd nanoparticles on silica fibers was investigated.

  3. Parental Reactions to the Special Education Individual Education Program Process: Looking through the Lens of Grief

    Science.gov (United States)

    Haley, Melinda; Hammond, Helen; Ingalls, Lawrence; Marín, Merranda Romaro

    2013-01-01

    Parental grief reactions have typically been examined in situations where parents have a child diagnosed with a major medical or mental health condition. This study used the grief and loss model as conceptualized by Kubler-Ross (1969), Lamb (1988), and Kubler-Ross and Kessler (2005) as a foundation in examining parental reactions when a child has…

  4. Benzene destruction in claus process by sulfur dioxide: A reaction kinetics study

    KAUST Repository

    Sinha, Sourab; Raj, Abhijeet Dhayal; Alshoaibi, Ahmed S.; Alhassan, Saeed M.; Chung, Suk-Ho

    2014-01-01

    interactions. The mechanism begins with SO2 addition to phenyl radical after overcoming an energy barrier of 6.4 kJ/mol. This addition reaction is highly exothermic, where a reaction energy of 182 kJ/mol is released. The most favorable pathway involves O-S bond

  5. Laser-Induced Emissions Sensor for Soot Mass in Rocket Plumes, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A method is proposed to measure soot mass concentration non-intrusively from a distance in a rocket engine exhaust stream during ground tests using laser-induced...

  6. Instabilities and soot formation in spherically expanding, high pressure, rich, iso-octane-air flames

    International Nuclear Information System (INIS)

    Lockett, R D

    2006-01-01

    Flame instabilities, cellular structures and soot formed in high pressure, rich, spherically expanding iso-octane-air flames have been studied experimentally using high speed Schlieren cinematography, OH fluorescence, Mie scattering and laser induced incandescence. Cellular structures with two wavelength ranges developed on the flame surface. The larger wavelength cellular structure was produced by the Landau-Darrieus hydrodynamic instability, while the short wavelength cellular structure was produced by the thermal-diffusive instability. Large negative curvature in the short wavelength cusps caused local flame quenching and fracture of the flame surface. In rich flames with equivalence ratio φ > 1.8, soot was formed in a honeycomb-like structure behind flame cracks associated with the large wavelength cellular structure induced by the hydrodynamic instability. The formation of soot precursors through low temperature pyrolysis was suggested as a suitable mechanism for the initiation of soot formation behind the large wavelength flame cracks

  7. Soot formation characteristics of gasoline surrogate fuels in counterflow diffusion flames

    KAUST Repository

    Choi, Byungchul; Choi, Sangkyu; Chung, Suk-Ho

    2011-01-01

    The characteristics of polycyclic aromatic hydrocarbon (PAH) and soot for gasoline surrogate fuels have been investigated in counterflow diffusion flames by adopting laser-induced fluorescence (LIF) and laser-induced incandescence (LII) techniques

  8. Soot particle size measurements in ethylene diffusion flames at elevated pressures

    KAUST Repository

    Steinmetz, Scott; Fang, Tiegang; Roberts, William L.

    2016-01-01

    for the first time at elevated pressures. Soot volume fraction dependence on pressure is consistent with the observations of similar studies, scaling approximately with the square of pressure. Scattering intensity is analyzed through Rayleigh and Rayleigh

  9. Development of high fidelity soot aerosol dynamics models using method of moments with interpolative closure

    KAUST Repository

    Roy, Subrata P.; Arias, Paul G.; Lecoustre, Vivien R.; Haworth, Daniel C.; Im, Hong G.; Trouvé , Arnaud C.

    2014-01-01

    of ad hoc treatments such as clipping. The solutions proposed and demonstrated here are being applied to generate new physical insight into complex turbulence-chemistry-soot-radiation interactions in turbulent reacting flows using DNS. © 2014 Copyright

  10. Instabilities and soot formation in spherically expanding, high pressure, rich, iso-octane-air flames

    Energy Technology Data Exchange (ETDEWEB)

    Lockett, R D [School of Engineering and Mathematical Sciences, City University, Northampton Square, London EC1V OHB (United Kingdom)

    2006-07-15

    Flame instabilities, cellular structures and soot formed in high pressure, rich, spherically expanding iso-octane-air flames have been studied experimentally using high speed Schlieren cinematography, OH fluorescence, Mie scattering and laser induced incandescence. Cellular structures with two wavelength ranges developed on the flame surface. The larger wavelength cellular structure was produced by the Landau-Darrieus hydrodynamic instability, while the short wavelength cellular structure was produced by the thermal-diffusive instability. Large negative curvature in the short wavelength cusps caused local flame quenching and fracture of the flame surface. In rich flames with equivalence ratio {phi} > 1.8, soot was formed in a honeycomb-like structure behind flame cracks associated with the large wavelength cellular structure induced by the hydrodynamic instability. The formation of soot precursors through low temperature pyrolysis was suggested as a suitable mechanism for the initiation of soot formation behind the large wavelength flame cracks.

  11. Scandium(III) catalysis of transimination reactions. Independent and constitutionally coupled reversible processes.

    Science.gov (United States)

    Giuseppone, Nicolas; Schmitt, Jean-Louis; Schwartz, Evan; Lehn, Jean-Marie

    2005-04-20

    Sc(OTf)(3) efficiently catalyzes the self-sufficient transimination reaction between various types of C=N bonds in organic solvents, with turnover frequencies up to 3600 h(-)(1) and rate accelerations up to 6 x 10(5). The mechanism of the crossover reaction in mixtures of amines and imines is studied, comparing parallel individual reactions with coupled equilibria. The intrinsic kinetic parameters for isolated reactions cannot simply be added up when several components are mixed, and the behavior of the system agrees with the presence of a unique mediator that constitutes the core of a network of competing reactions. In mixed systems, every single amine or imine competes for the same central hub, in accordance with their binding affinity for the catalyst metal ion center. More generally, the study extends the basic principles of constitutional dynamic chemistry to interconnected chemical transformations and provides a step toward dynamic systems of increasing complexity.

  12. Research of Hydrogen Preparation with Catalytic Steam-Carbon Reaction Driven by Photo-Thermochemistry Process

    Directory of Open Access Journals (Sweden)

    Xiaoqing Zhang

    2013-01-01

    Full Text Available An experiment of hydrogen preparation from steam-carbon reaction catalyzed by K2CO3 was carried out at 700°C, which was driven by the solar reaction system simulated with Xenon lamp. It can be found that the rate of reaction with catalyst is 10 times more than that without catalyst. However, for the catalytic reaction, there is no obvious change for the rate of hydrogen generation with catalyst content range from 10% to 20%. Besides, the conversion efficiency of solar energy to chemical energy is more than 13.1% over that by photovoltaic-electrolysis route. An analysis to the mechanism of catalytic steam-carbon reaction with K2CO3 is given, and an explanation to the nonbalanced [H2]/[CO + 2CO2] is presented, which is a phenomenon usually observed in experiment.

  13. Interfacial reaction in cast WC particulate reinforced titanium metal matrix composites coating produced by laser processing

    Science.gov (United States)

    Liu, Dejian; Hu, Peipei; Min, Guoqing

    2015-06-01

    Laser injection of ceramic particle was conducted to produce particulate reinforced metal matrix composites (MMCs) coating on Ti-6Al-4V alloy. Cast WC particle (WCp) was used as injection reinforcement to avoid excessive release of carbon atoms into the melt pool. The interfaces and boundaries between WC and Ti matrix were investigated by electron microscopy study. Compared with single crystal WCp, cast WCp was an appropriate solution to control the reaction products (TiC) in the matrix and the total amount of reaction products was significantly reduced. Irregular-shape reaction layers were formed around cast WCp. The reaction layers consist of a W2C layer and a mixed layer of W and TiC. Such reaction layers are effective in load transfer under an external load.

  14. Vocal reaction times to unilaterally presented concrete and abstract words: towards a theory of differential right hemispheric semantic processing.

    Science.gov (United States)

    Rastatter, M; Dell, C W; McGuire, R A; Loren, C

    1987-03-01

    Previous studies investigating hemispheric organization for processing concrete and abstract nouns have provided conflicting results. Using manual reaction time tasks some studies have shown that the right hemisphere is capable of analyzing concrete words but not abstract. Others, however, have inferred that the left hemisphere is the sole analyzer of both types of lexicon. The present study tested these issues further by measuring vocal reaction times of normal subjects to unilaterally presented concrete and abstract items. Results were consistent with a model of functional localization which suggests that the minor hemisphere is capable of differentially processing both types of lexicon in the presence of a dominant left hemisphere.

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

    KAUST Repository

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

    2016-01-01

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

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

    KAUST Repository

    Guerrero Peña, Gerardo D.J.

    2016-07-23

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

  17. Effects of soot by-product from the synthesis of engineered metallofullerene nanomaterials on terrestrial invertebrates.

    Science.gov (United States)

    Johnson, David R; Boyd, Robert E; Bednar, Anthony J; Weiss, Charles A; Hull, Matt S; Coleman, Jessica G; Kennedy, Alan J; Banks, Cynthia J; Steevens, Jeffery A

    2018-02-23

    The synthesis of carbon-based nanomaterials is often inefficient, generating large amounts of soot with metals as waste by-product. Currently, there are no specific regulations for disposal of engineered nanomaterials or the waste by-products resulting from their synthesis, so it is presumed that by-products are disposed of in the same way as the parent (bulk) materials. We studied the terrestrial toxicity of soot from gadolinium metallofullerene nanomanufacturing on earthworms (Eisenia fetida) and isopods (Porcellio scaber). The metallofullerene soot consisted of carbon particle agglomerates in the nanometer and submicrometer ranges (1-100 and 101-999 nm, respectively), with metals used during nanomanufacturing detectable on the particles. Despite high metal concentrations (>100 000 mg/kg) in the soot, only a relatively small amount of metals leached out of a spiked field soil, suggesting only moderate mobility. Seven- and 14-d exposures in field soil demonstrated that the soot was only toxic to earthworms at high concentrations (>10 000 mg/kg); however, earthworms avoided spiked soils at lower concentrations (as low as 500 mg/kg) and at lower soil pH. The presence of soot in food and soil did not cause isopod avoidance. These data demonstrate that metallofullerene soot from nanomanufacturing may only be toxic to earthworms at high concentrations representative of improper disposal or accidental spills. However, our results indicate that terrestrial invertebrates may avoid soils contaminated with soot at sublethal concentrations. Environ Toxicol Chem 2018;9999:1-12. Published 2018 Wiley Periodicals, Inc. on behalf of SETAC. This article is a US government work, and as such, is in the public domain in the United States of America. Published 2018 Wiley Periodicals, Inc. on behalf of SETAC. This article is a US government work, and as such, is in the public domain in the United States of America.

  18. Oil soot measurement system of diesel engine; Diesel engine no oil sutsu sokutei sochi

    Energy Technology Data Exchange (ETDEWEB)

    Mizuno, Y; Moritsugu, M; Kato, N [Nippon Soken, Inc., Tokyo (Japan); Osaki, R [Denso Corp., Aichi (Japan)

    1997-10-01

    For use evaluate diesel engine in laboratory, we have developed a apparatus which can measure soot density in engine oil instantly and accurately. We have achieved accuracy of 0.03 wt% by employing the following; (1) utilize a ligh-reflecting oil soot sensor, (2) regurate the temperature and flow of the in-coming oil to be constant. 4 refs., 12 figs., 2 tabs.

  19. Development of interactive graphic user interfaces for modeling reaction-based biogeochemical processes in batch systems with BIOGEOCHEM

    Science.gov (United States)

    Chang, C.; Li, M.; Yeh, G.

    2010-12-01

    The BIOGEOCHEM numerical model (Yeh and Fang, 2002; Fang et al., 2003) was developed with FORTRAN for simulating reaction-based geochemical and biochemical processes with mixed equilibrium and kinetic reactions in batch systems. A complete suite of reactions including aqueous complexation, adsorption/desorption, ion-exchange, redox, precipitation/dissolution, acid-base reactions, and microbial mediated reactions were embodied in this unique modeling tool. Any reaction can be treated as fast/equilibrium or slow/kinetic reaction. An equilibrium reaction is modeled with an implicit finite rate governed by a mass action equilibrium equation or by a user-specified algebraic equation. A kinetic reaction is modeled with an explicit finite rate with an elementary rate, microbial mediated enzymatic kinetics, or a user-specified rate equation. None of the existing models has encompassed this wide array of scopes. To ease the input/output learning curve using the unique feature of BIOGEOCHEM, an interactive graphic user interface was developed with the Microsoft Visual Studio and .Net tools. Several user-friendly features, such as pop-up help windows, typo warning messages, and on-screen input hints, were implemented, which are robust. All input data can be real-time viewed and automated to conform with the input file format of BIOGEOCHEM. A post-processor for graphic visualizations of simulated results was also embedded for immediate demonstrations. By following data input windows step by step, errorless BIOGEOCHEM input files can be created even if users have little prior experiences in FORTRAN. With this user-friendly interface, the time effort to conduct simulations with BIOGEOCHEM can be greatly reduced.

  20. Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

    Directory of Open Access Journals (Sweden)

    Matthew J Simpson

    Full Text Available Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0reaction rate, and (iv the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t.

  1. Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

    Science.gov (United States)

    Simpson, Matthew J

    2015-01-01

    Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE) on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0exact solutions with numerical approximations confirms the veracity of the method. Furthermore, our examples illustrate a delicate interplay between: (i) the rate at which the domain elongates, (ii) the diffusivity associated with the spreading density profile, (iii) the reaction rate, and (iv) the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t).

  2. Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Yuqian; Hellinga, Homme W.; Beese, Lorena S. (Duke-MED)

    2017-05-22

    Human exonuclease 1 (hExo1) is a member of the RAD2/XPG structure-specific 5'-nuclease superfamily. Its dominant, processive 5'–3' exonuclease and secondary 5'-flap endonuclease activities participate in various DNA repair, recombination, and replication processes. A single active site processes both recessed ends and 5'-flap substrates. By initiating enzyme reactions in crystals, we have trapped hExo1 reaction intermediates that reveal structures of these substrates before and after their exo- and endonucleolytic cleavage, as well as structures of uncleaved, unthreaded, and partially threaded 5' flaps. Their distinctive 5' ends are accommodated by a small, mobile arch in the active site that binds recessed ends at its base and threads 5' flaps through a narrow aperture within its interior. A sequence of successive, interlocking conformational changes guides the two substrate types into a shared reaction mechanism that catalyzes their cleavage by an elaborated variant of the two-metal, in-line hydrolysis mechanism. Coupling of substrate-dependent arch motions to transition-state stabilization suppresses inappropriate or premature cleavage, enhancing processing fidelity. The striking reduction in flap conformational entropy is catalyzed, in part, by arch motions and transient binding interactions between the flap and unprocessed DNA strand. At the end of the observed reaction sequence, hExo1 resets without relinquishing DNA binding, suggesting a structural basis for its processivity.

  3. Coupled processes of fluid flow, solute transport, and geochemical reactions in reactive barriers

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jeongkon; Schwartz, Franklin W.; Xu, Tianfu; Choi, Heechul, and Kim, In S.

    2004-01-02

    A complex pattern of coupling between fluid flow and mass transport develops when heterogeneous reactions occur. For instance, dissolution and precipitation reactions can change a porous medium's physical properties, such as pore geometry and thus permeability. These changes influence fluid flow, which in turn impacts the composition of dissolved constituents and the solid phases, and the rate and direction of advective transport. Two-dimensional modeling studies using TOUGHREACT were conducted to investigate the coupling between flow and transport developed as a consequence of differences in density, dissolution precipitation, and medium heterogeneity. The model includes equilibrium reactions for aqueous species, kinetic reactions between the solid phases and aqueous constituents, and full coupling of porosity and permeability changes resulting from precipitation and dissolution reactions in porous media. In addition, a new permeability relationship is implemented in TOUGHREACT to examine the effects of geochemical reactions and density difference on plume migration in porous media. Generally, the evolutions in the concentrations of the aqueous phase are intimately related to the reaction-front dynamics. Plugging of the medium contributed to significant transients in patterns of flow and mass transport.

  4. Development of high fidelity soot aerosol dynamics models using method of moments with interpolative closure

    KAUST Repository

    Roy, Subrata P.

    2014-01-28

    The method of moments with interpolative closure (MOMIC) for soot formation and growth provides a detailed modeling framework maintaining a good balance in generality, accuracy, robustness, and computational efficiency. This study presents several computational issues in the development and implementation of the MOMIC-based soot modeling for direct numerical simulations (DNS). The issues of concern include a wide dynamic range of numbers, choice of normalization, high effective Schmidt number of soot particles, and realizability of the soot particle size distribution function (PSDF). These problems are not unique to DNS, but they are often exacerbated by the high-order numerical schemes used in DNS. Four specific issues are discussed in this article: the treatment of soot diffusion, choice of interpolation scheme for MOMIC, an approach to deal with strongly oxidizing environments, and realizability of the PSDF. General, robust, and stable approaches are sought to address these issues, minimizing the use of ad hoc treatments such as clipping. The solutions proposed and demonstrated here are being applied to generate new physical insight into complex turbulence-chemistry-soot-radiation interactions in turbulent reacting flows using DNS. © 2014 Copyright Taylor and Francis Group, LLC.

  5. The pH-dependent adsorption of tributyltin to charcoals and soot

    International Nuclear Information System (INIS)

    Fang Liping; Borggaard, Ole K.; Marcussen, Helle; Holm, Peter E.; Bruun Hansen, Hans Christian

    2010-01-01

    Widespread use of tributyltin (TBT) poses a serious environmental problem. Adsorption by black carbon (BC) may strongly affect its behavior. The adsorption of TBT to well characterized soot and two charcoals with specific surface area in the range of 62-111 m 2 g -1 have been investigated with main focus on pH effects. The charcoals but not soot possess acidic functional groups. TBT adsorption reaches maximum at pH 6-7 for charcoals, and at pH > 6 for soot. Soot has between 1.5 and 15 times higher adsorption density (0.09-1.77 μmol m -2 ) than charcoals, but charcoals show up to 17 times higher sorption affinities than soot. TBT adsorption is successfully described by a new pH-dependent dual Langmuir model considering electrostatic and hydrophobic adsorption, and pH effects on TBT speciation and BC surface charge. It is inferred that strong sorption of the TBTOH species to BC may affect TBT toxicity. - Tributyltin adsorption to black carbon increases at increasing pH but charcoal exhibits electrostatic and hydrophobic adsorption, whereas soot only adsorbs hydrophobically.

  6. The pH-dependent adsorption of tributyltin to charcoals and soot

    Energy Technology Data Exchange (ETDEWEB)

    Fang Liping, E-mail: fang@life.ku.d [Department of Basic Sciences and Environment, Faculty of Life Sciences, University of Copenhagen, Thorvaldsensvej 40, DK-1871 Frederiksberg C (Denmark); Borggaard, Ole K.; Marcussen, Helle; Holm, Peter E.; Bruun Hansen, Hans Christian [Department of Basic Sciences and Environment, Faculty of Life Sciences, University of Copenhagen, Thorvaldsensvej 40, DK-1871 Frederiksberg C (Denmark)

    2010-12-15

    Widespread use of tributyltin (TBT) poses a serious environmental problem. Adsorption by black carbon (BC) may strongly affect its behavior. The adsorption of TBT to well characterized soot and two charcoals with specific surface area in the range of 62-111 m{sup 2} g{sup -1} have been investigated with main focus on pH effects. The charcoals but not soot possess acidic functional groups. TBT adsorption reaches maximum at pH 6-7 for charcoals, and at pH > 6 for soot. Soot has between 1.5 and 15 times higher adsorption density (0.09-1.77 {mu}mol m{sup -2}) than charcoals, but charcoals show up to 17 times higher sorption affinities than soot. TBT adsorption is successfully described by a new pH-dependent dual Langmuir model considering electrostatic and hydrophobic adsorption, and pH effects on TBT speciation and BC surface charge. It is inferred that strong sorption of the TBTOH species to BC may affect TBT toxicity. - Tributyltin adsorption to black carbon increases at increasing pH but charcoal exhibits electrostatic and hydrophobic adsorption, whereas soot only adsorbs hydrophobically.

  7. Asymptotic analysis soot model and experiment for a directed injection engine

    Science.gov (United States)

    Liu, Yongfeng; Pei, Pucheng; Xiong, Qinghui; Lu, Yong

    2012-09-01

    The existing soot models are either too complex and can not be applied to the internal combustion engine, or too simple to make calculation errors. Exploring the soot model becomes the pursuit of the goal of many researchers within the error range in the current computer speed. On the basis of the latest experimental results, TP (temperature phases) model is presented as a new soot model to carry out optimization calculation for a high-pressure common rail diesel engine. Temperature and excess air factor are the most important two parameters in this model. When zone temperature T0.6, only the soot precursors—polycyclic aromatic hydrocarbons(PAH) is created and there is no soot emission. When zone temperature T ⩾ 1 500 K and excess air factor Φinjection time, variation of rail pressure and variation of speed among TP models. The experimental results indicate that the TP model can carry out optimization and computational fluid dynamics can be a tool to calculate for a high-pressure common rail directed injection diesel engine. The TP model result is closer than the use of the original KIVA-3V results of soot model accuracy by about 50% and TP model gives a new method for engine researchers.

  8. Planar measurements of soot volume fraction and OH in a JP-8 pool fire

    Energy Technology Data Exchange (ETDEWEB)

    Henriksen, Tara L.; Ring, Terry A.; Eddings, Eric G. [Department of Chemical Engineering, University of Utah, Salt Lake City, UT 84112 (United States); Nathan, Graham J. [School of Mechanical Engineering, University of Adelaide, SA 5005 (Australia); Alwahabi, Zeyad T.; Qamar, Nader [School of Chemical Engineering, University of Adelaide, SA 5005 (Australia)

    2009-07-15

    The simultaneous measurement of soot volume fraction by laser induced incandescence (LII) and qualitative imaging of OH by laser induced fluorescence (LIF) was performed in a JP-8 pool fire contained in a 152 mm diameter pan. Line of sight extinction was used to calibrate the LII system in a laminar flame, and to provide an independent method of measuring average soot volume fraction in the turbulent flame. The presence of soot in the turbulent flame was found to be approximately 50% probable, resulting in high levels of optical extinction, which increased slightly through the flame from approximately 30% near the base, to approximately 50% at the tip. This high soot loading pushes both techniques toward their detection limit. Nevertheless, useful accuracy was obtained, with the LII measurement of apparent extinction in the turbulent flame being approximately 21% lower than a direct measurement, consistent with the influence of signal trapping. The axial and radial distributions of soot volume fraction are presented, along with PDFs of volume fraction, and new insight into the behavior of soot sheets in pool fires are sought from the simultaneous measurements of OH and LII. (author)

  9. Validation of an LES Model for Soot Evolution against DNS Data in Turbulent Jet Flames

    Science.gov (United States)

    Mueller, Michael

    2012-11-01

    An integrated modeling approach for soot evolution in turbulent reacting flows is validated against three-dimensional Direct Numerical Simulation (DNS) data in a set of n-heptane nonpremixed temporal jet flames. As in the DNS study, the evolution of the soot population is described statistically with the Hybrid Method of Moments (HMOM). The oxidation of the fuel and formation of soot precursors are described with the Radiation Flamelet/Progress Variable (RFPV) model that includes an additional transport equation for Polycyclic Aromatic Hydrocarbons (PAH) to account for the slow chemistry governing these species. In addition, the small-scale interactions between soot, chemistry, and turbulence are described with a presumed subfilter PDF approach that accounts for the very large spatial intermittency characterizing soot in turbulent reacting flows. The DNS dataset includes flames at three different Damköhler numbers to study the influence of global mixing rates on the evolution of PAH and soot. In this work, the ability of the model to capture these trends quantitatively as Damköhler number varies is investigated. In order to reliably assess the LES approach, the LES is initialized from the filtered DNS data after an initial transitional period in an effort to minimize the hydrodynamic differences between the DNS and the LES.

  10. Pre-equilibrium decay process in alpha particle induced reactions on thulium and tantalum

    International Nuclear Information System (INIS)

    Mohan, Rao, A.V.; Chintalapudi, S.N.

    1994-01-01

    Alpha particle induced reactions on the target elements Thulium and Tantalum were investigated upto 60 MeV using stacked foil activation technique and Ge(Li) gamma ray spectroscopy method. Excitation functions for six reactions of 169 Tm(α,xn); x=1-4 and 181 Ta(α,xn); x=2,4 were studied. The experimental results were compared with the updated version of Hybrid model (ALICE/90) using initial exciton configuration n 0 =4(4pOh). A general agreement was found for all the reactions with this option. (author)

  11. Pre-equilibrium decay process in alpha particle induced reactions on thulium and tantalum

    Energy Technology Data Exchange (ETDEWEB)

    Mohan, Rao, A.V.; Chintalapudi, S.N. (Inter Univ. Consortium for Dept. of atomic Energy Facilities, Calcutta (India))

    1994-01-01

    Alpha particle induced reactions on the target elements Thulium and Tantalum were investigated upto 60 MeV using stacked foil activation technique and Ge(Li) gamma ray spectroscopy method. Excitation functions for six reactions of [sup 169]Tm([alpha],xn); x=1-4 and [sup 181]Ta([alpha],xn); x=2,4 were studied. The experimental results were compared with the updated version of Hybrid model (ALICE/90) using initial exciton configuration n[sub 0]=4(4pOh). A general agreement was found for all the reactions with this option. (author).

  12. The chemical evolution of a travertine-depositing stream: Geochemical processes and mass transfer reactions

    Science.gov (United States)

    Lorah, Michelle M.; Herman, Janet S.

    1988-01-01

    This field study focuses on quantitatively defining the chemical changes occurring in Falling Spring Creek, a travertine-depositing stream located in Alleghany County, Virginia. The processes of CO2outgassing and calcite precipitation or dissolution control the chemical evolution of the stream. The observed chemical composition of the water was used with the computerized geochemical model WATEQF to calculate aqueous speciation, saturation indices, and CO2 partial pressure values. Mass balance calculations were performed to obtain mass transfers of CO2 and calcite. Reaction times, estimated from stream discharge, were used with the mass transfer results to calculate rates of CO2, outgassing and calcite precipitation between consecutive sampling points. The stream, which is fed by a carbonate spring, is supersaturated with respect to CO2 along the entire 5.2-km flow path. Outgassing of CO2 drives the solution to high degrees of supersaturation with respect to calcite. Metabolic uptake of CO2 by photosynthetic plants is insignificant, because the high supply rate of dissolved carbon dioxide and the extreme agitation of the stream at waterfalls and rapids causes a much greater amount of inorganic CO2 outgassing to occur. Calcite precipitation is kinetically inhibited until near the crest of a 20-m vertical waterfall. Calcite precipitation rates then reach a maximum at the waterfall where greater water turbulence allows the most rapid escape of CO2. Physical evidence for calcite precipitation exists in the travertine deposits which are first observed immediately above the waterfall and extend for at least 1.0 km below the falls. Net calcite precipitation occurs at all times of the year but is greatest during low-flow conditions in the summer and early fall.

  13. Interplay of break-up and transfer processes in reactions involving weakly-bound systems

    Science.gov (United States)

    Vitturi, Andrea; Moschini, Laura

    2018-02-01

    In this note we illustrate some applications of a simple model which has been devised to clarify the reaction mechanism and the interplay of different reaction channels (elastic, inelastic, transfer, break-up) in heavy-ion collisions. The model involves two potential wells moving in one dimension and few active particles; in spite of its simplicity, it is supposed to maintain the main features, the properties and the physics of the full three-dimensional case. Special attention is given to the role of continuum states in reactions involving weakly-bound systems, and different approximation schemes (as first-order or coupled-channels) as well as different continuum discretization procedures are tested. In the case of two active particles the reaction mechanism associated with two-particle transfer and the effect of pairing intearction are investigated. Work done in collaboration with Antonio Moro and Kouichi Hagino

  14. Yield of 73Se for various reactions and its chemical processing

    International Nuclear Information System (INIS)

    Nozaki, T.; Itoh, Y.; Ogawa, K.

    1979-01-01

    Excitation curves for the formation of 73 Se by the following reactions were measured up to proton energy of 50 MeV and 3 He- and α-particle energies of 40 MeV, together with those for byproduct formation reactions: (1) 75 As(p, 3n) 73 Se, (2) Ge + 3 He → 73 Se, and (3) Ge + α → 73 Se. The proton reaction has proved to be much superior to the other reactions both in yield and product purity. Volatilization of 73 Se from a solution of condensed polyphosphoric acid was found to give an excellent method of 73 Se separation from various arsenic targets without carrier. Also, solvent extraction of red selenium 73 Se with a minute amount of carrier was shown to be a useful separation method. (author)

  15. The exothermic reaction route of a self-heatable conductive ink for rapid processable printed electronics.

    Science.gov (United States)

    Shin, Dong-Youn; Han, Jin Wook; Chun, Sangki

    2014-01-07

    We report the exothermic reaction route and new capability of a self-heatable conductive ink (Ag2O and silver 2,2-dimethyloctanoate) in order to achieve both a low sintering temperature and electrical resistivity within a short sintering time for flexible printed electronics and display appliances. Unlike conventional conductive ink, which requires a costly external heating instrument for rapid sintering, self-heatable conductive ink by itself is capable of generating heat as high as 312 °C when its exothermic reaction is triggered at a temperature of 180 °C. This intensive exothermic reaction is found to result from the recursive reaction of the 2,2-dimethyloctanoate anion, which is thermally dissociated from silver 2,2-dimethyloctanoate, with silver oxide microparticles. Through this recursive reaction, a massive number of silver atoms are supplied from silver oxide microparticles, and the nucleation of silver atoms and the fusion of silver nanoparticles become the major source of heat. This exothermic reaction eventually realizes the electrical resistivity of self-heatable conductive ink as low as 27.5 μΩ cm within just 40 s by combining chemical annealing, which makes it suitable for the roll-to-roll printable electronics such as a flexible touch screen panel.

  16. High-Pressure-High-Temperature Processing Reduces Maillard Reaction and Viscosity in Whey Protein-Sugar Solutions

    NARCIS (Netherlands)

    Avila Ruiz, Geraldine; Xi, Bingyan; Minor, Marcel; Sala, Guido; Boekel, van Tiny; Fogliano, Vincenzo; Stieger, Markus

    2016-01-01

    The aim of the study was to determine the influence of pressure in high-pressure-high-temperature (HPHT) processing on Maillard reactions and protein aggregation of whey protein-sugar solutions. Solutions of whey protein isolate containing either glucose or trehalose at pH 6, 7, and 9 were

  17. Controlled growth of gold nanoparticles in zeolite L via ion-exchange reactions and thermal reduction processes

    KAUST Repository

    Zeng, Shangjing

    2014-09-01

    The growth of gold nanoparticles in zeolite can be controlled using ion-exchange reactions and thermal reduction processes. We produce a number of different sizes of the gold nanoparticles with the particle size increasing with increased temperature of the final heat treatment. © 2014 Elsevier B.V.

  18. Scale-up of organic reactions in ball mills: process intensification with regard to energy efficiency and economy of scale.

    Science.gov (United States)

    Stolle, Achim; Schmidt, Robert; Jacob, Katharina

    2014-01-01

    The scale-up of the Knoevenagel-condensation between vanillin and barbituric acid carried out in planetary ball mills is investigated from an engineering perspective. Generally, the reaction proceeded in the solid state without intermediate melting and afforded selectively only one product. The reaction has been used as a model to analyze the influence and relationship of different parameters related to operation in planetary ball mills. From the viewpoint of technological parameters the milling ball diameter, dMB, the filling degree with respect to the milling balls' packing, ΦMB,packing, and the filling degree of the substrates with respect to the void volume of the milling balls' packing, ΦGS, have been investigated at different reaction scales. It was found that milling balls with small dMB lead to higher yields within shorter reaction time, treaction, or lower rotation frequency, rpm. Thus, the lower limit is set considering the technology which is available for the separation of the milling balls from the product after the reaction. Regarding ΦMB,packing, results indicate that the optimal value is roughly 50% of the total milling beakers' volume, VB,total, independent of the reaction scale or reaction conditions. Thus, 30% of VB,total are taken by the milling balls. Increase of the initial batch sizes changes ΦGS significantly. However, within the investigated parameter range no negative influence on the yield was observed. Up to 50% of VB,total can be taken over by the substrates in addition to 30% for the total milling ball volume. Scale-up factors of 15 and 11 were realized considering the amount of substrates and the reactor volume, respectively. Beside technological parameters, variables which influence the process itself, treaction and rpm, were investigated also. Variation of those allowed to fine-tune the reaction conditions in order to maximize the yield and minimize the energy intensity.

  19. Nuclear reactions

    International Nuclear Information System (INIS)

    Lane, A.M.

    1980-01-01

    In reviewing work at Harwell over the past 25 years on nuclear reactions it is stated that a balance has to be struck in both experiment and theory between work on cross-sections of direct practical relevance to reactors and on those relevant to an overall understanding of reaction processes. The compound nucleus and direct process reactions are described. Having listed the contributions from AERE, Harwell to developments in nuclear reaction research in the period, work on the optical model, neutron capture theory, reactions at doorway states with fine structure, and sum-rules for spectroscopic factors are considered in more detail. (UK)

  20. Photochemical Reactions of Particulate Organic Matter: Deciphering the Role of Direct and Indirect Processes

    Science.gov (United States)

    Carrasquillo, A. J.; Gelfond, C. E.; Kocar, B. D.

    2016-12-01

    Photochemical reactions of natural organic matter (NOM) represent potentially important pathways for biologically recalcitrant material to be chemically altered in aquatic systems. Irradiation can alter the physical state of organic matter by facilitating the cycling between the particulate (POM) and dissolved (DOM) pools, however, a molecular level understanding of this chemically dynamic system is currently lacking. Photochemical reactions of a target molecule proceed by the direct absorption of a photon, or through reaction with a second photolytically generated species (i.e. the hydroxyl radical, singlet oxygen, excited triplet state NOM, hydrogen peroxide, etc.). Here, we isolate the major direct and indirect photochemical reactions of a lignocellulose-rich POM material (Phragmites australis) to determine their relative importance in changing the the chemical structure of the parent POM, and in the production of DOM. We measured POM molecular structure using a combination of NMR and FTIR for bulk analyses and scanning transmission x-ray microscopy (STXM) for spatially resolved chemistry, while the chemical composition of photo-produced DOM was measured using ultra-high resolution mass spectrometry. Results are discussed in the context of the differences in chemical composition of both NOM pools resulting from the isolated photochemical pathways. All treatments result in an increase in DOM with reaction time, indicating that the larger POM matrix is likely fragmenting into smaller more soluble species. Spectroscopic measurements, on the other hand, point to functionalization reactions which increase the abundance of alcohol, acid, and carbonyl moieties in both carbon pools. This unique dataset provides new insight into how photochemical reactions alter the chemical composition of NOM while highlighting the relative importance of indirect pathways.

  1. The competition between mineral dust and soot ice nuclei in mixed-phase clouds (Invited)

    Science.gov (United States)

    Murray, B. J.; Atkinson, J.; Umo, N.; Browse, J.; Woodhouse, M. T.; Whale, T.; Baustian, K. J.; Carslaw, K. S.; Dobbie, S.; O'Sullivan, D.; Malkin, T. L.

    2013-12-01

    The amount of ice present in mixed-phase clouds, which contain both supercooled liquid water droplets and ice particles, affects cloud extent, lifetime, particle size and radiative properties. The freezing of cloud droplets can be catalysed by the presence of aerosol particles known as ice nuclei. In this talk our recent laboratory and global aerosol modelling work on mineral dust and soot ice nuclei will be presented. We have performed immersion mode experiments to quantify ice nucleation by the individual minerals which make up desert mineral dusts and have shown that the feldspar component, rather than the clay component, is most important for ice nucleation (Atkinson et al. 2013). Experiments with well-characterised soot generated with eugenol, an intermediate in biomass burning, and n-decane show soot has a significant ice nucleation activity in mixed-phase cloud conditions. Our results for soot are in good agreement with previous results for acetylene soot (DeMott, 1990), but extend the efficiency to much higher temperatures. We then use a global aerosol model (GLOMAP) to map the distribution of soot and feldspar particles on a global basis. We show that below about -15oC that dust and soot together can explain most observed ice nuclei in the Earth's atmosphere, while at warmer temperatures other ice nuclei types are needed. We show that in some regions soot is the most important ice nuclei (below -15oC), while in others feldspar dust dominates. Our results suggest that there is a strong anthropogenic contribution to the ice nuclei population, since a large proportion of soot aerosol in the atmosphere results from human activities. Atkinson, J. D., Murray, B. J., Woodhouse, M. T., Carslaw, K. S., Whale, T. F., Baustian, K. J., Dobbie, S., O'Sullivan, D., and Malkin, T. L.: The importance of feldspar for ice nucleation by mineral dust in mixed-phase clouds, Nature, 10.1038/nature12278, (2013). Demott, P. J. 1990. An Exploratory-Study of Ice Nucleation by Soot

  2. Evaluation and optimisation of phenomenological multi-step soot model for spray combustion under diesel engine-like operating conditions

    DEFF Research Database (Denmark)

    Pang, Kar Mun; Jangi, Mehdi; Bai, Xue-Song

    2015-01-01

    with the spray combustion solver. Prior to the soot modelling, combustion simulations are carried out. Numerical results show that the ignition delay times and lift-off lengths exhibit good agreement with the experimental measurements across a wide range of operating conditions, apart from those in the cases......, variation of spatial soot distribution and soot mass produced at oxygen molar fractions ranging from 10.0 to 21.0% for both low and high density conditions are reproduced....

  3. The fusion-fission process in the reaction {sup 34}S+{sup 186}W near the interaction barrier

    Energy Technology Data Exchange (ETDEWEB)

    Harca, I. M. [Flerov Laboratory of Nuclear Reactions, Joint Institute for Nuclear Research, (FLNR JINR) Dubna, Russia and Faculty of Physics, University of Bucharest - P.O. Box MG 11, RO 77125, Bucharest-Magurele (Romania); Dmitriev, S.; Itkis, J.; Kozulin, E. M.; Knyazheva, G.; Loktev, T.; Novikov, K. [Flerov Laboratory of Nuclear Reactions, Joint Institute for Nuclear Research, (FLNR JINR) Dubna (Russian Federation); Azaiez, F.; Gottardo, A.; Matea, I.; Verney, D. [IPN, CNRS/IN2P3, Univ. Paris-Sud, 91405 Orsay (France); Chubarian, G. [Cyclotron Institute, Texas A and M University, College Station, TX 77843-3366 (United States); Hanappe, F. [Universite Libre de Bruxelles (ULB), Bruxelles (Belgium); Piot, J.; Schmitt, C. [GANIL, CEA/DSM-CNRS/IN2P3, Bd Henri Becquerel, BP 55027, F-14076 Caen Cedex 5 (France); Trzaska, W. H. [Accelerator Laboratory of University of Jyväskylä (JYFL), Jyväskylä (Finland); Vardaci, E. [Dipartamento di Scienze Fisiche and INFN (INFN-Na), Napoli (Italy)

    2015-02-24

    The reaction {sup 34}S+{sup 186}W at E{sub lab}=160 MeV was investigated with the aim of diving into the features of the fusion-fission process. Gamma rays in coincidence with binary reaction fragments were measured using the high efficiency gamma-ray spectrometer ORGAM at the TANDEM Accelerator facility of I.P.N., Orsay, and the time-of-flight spectrometer for fission fragments (FF) registration CORSET of the Flerov Laboratory of Nuclear Reactions (FLNR), Dubna. The coupling of the ORGAM and CORSET setups offers the unique opportunity of extracting details for characterizing the fusion-fission process and gives information regarding production of neutron-rich heavy nuclei. The FF–γ coincidence method is of better use then the γ – γ coincidence method when dealing with low statistic measurements and also offers the opportunity to precisely correct the Dopler shift for in-flight emitted gamma rays. Evidence of symmetric and asymmetric fission modes were observed in the mass and TKE distributions, occurring due to shell effects in the fragments. Coincident measurements allow for discrimination between the gamma rays by accepting a specific range within the mass distribution of the reaction products. Details regarding the experimental setup, methods of processing the acquisitioned data and preliminary results are presented.

  4. Fractal and spectroscopic analysis of soot from internal combustion engines

    Science.gov (United States)

    Swapna, M. S.; Saritha Devi, H. V.; Raj, Vimal; Sankararaman, S.

    2018-03-01

    Today diesel engines are used worldwide for various applications and very importantly in transportation. Hydrocarbons are the most widespread precursors among carbon sources employed in the production of carbon nanotubes (CNTs). The aging of internal combustion engine is an important parameter in deciding the carbon emission and particulate matter due to incomplete combustion of fuel. In the present work, an attempt has been made for the effective utilization of the aged engines for potential applicationapplications in fuel cells and nanoelectronics. To analyze the impact of aging, the particulate matter rich in carbon content areis collected from diesel engines of different ages. The soot with CNTs is purified by the liquid phase oxidation method and analyzed by Field Emission Scanning Electron Microscopy, High-Resolution Transmission Electron Microscopy, Energy Dispersive Spectroscopy, UV-Visible spectroscopy, Raman spectroscopy and Thermogravimetric analysis. The SEM image contains self-similar patterns probing fractal analysis. The fractal dimensions of the samples are determined by the box counting method. We could find a greater amount of single-walled carbon nanotubes (SWCNTs) in the particulate matter emitted by aged diesel engines and thereby giving information about the combustion efficiency of the engine. The SWCNT rich sample finds a wide range of applicationapplications in nanoelectronics and thereby pointing a potential use of these aged engines.

  5. The exothermic reaction route of a self-heatable conductive ink for rapid processable printed electronics

    Science.gov (United States)

    Shin, Dong-Youn; Han, Jin Wook; Chun, Sangki

    2013-12-01

    We report the exothermic reaction route and new capability of a self-heatable conductive ink (Ag2O and silver 2,2-dimethyloctanoate) in order to achieve both a low sintering temperature and electrical resistivity within a short sintering time for flexible printed electronics and display appliances. Unlike conventional conductive ink, which requires a costly external heating instrument for rapid sintering, self-heatable conductive ink by itself is capable of generating heat as high as 312 °C when its exothermic reaction is triggered at a temperature of 180 °C. This intensive exothermic reaction is found to result from the recursive reaction of the 2,2-dimethyloctanoate anion, which is thermally dissociated from silver 2,2-dimethyloctanoate, with silver oxide microparticles. Through this recursive reaction, a massive number of silver atoms are supplied from silver oxide microparticles, and the nucleation of silver atoms and the fusion of silver nanoparticles become the major source of heat. This exothermic reaction eventually realizes the electrical resistivity of self-heatable conductive ink as low as 27.5 μΩ cm within just 40 s by combining chemical annealing, which makes it suitable for the roll-to-roll printable electronics such as a flexible touch screen panel.We report the exothermic reaction route and new capability of a self-heatable conductive ink (Ag2O and silver 2,2-dimethyloctanoate) in order to achieve both a low sintering temperature and electrical resistivity within a short sintering time for flexible printed electronics and display appliances. Unlike conventional conductive ink, which requires a costly external heating instrument for rapid sintering, self-heatable conductive ink by itself is capable of generating heat as high as 312 °C when its exothermic reaction is triggered at a temperature of 180 °C. This intensive exothermic reaction is found to result from the recursive reaction of the 2,2-dimethyloctanoate anion, which is thermally

  6. Dissipative processes in 18O + 9Be and 18O + 181Ta reactions at Fermi energies

    International Nuclear Information System (INIS)

    Erdemchimeg, B.; Mikhailova, T.I.; Artyukh, A.G.; Kaminski, G.; Sereda, Yu.M.; Erdemchimeg, B.; Kaminski, G.; Sereda, Yu.M.; Colonna, M.; Di Toro, M.; Wolter, H.H.

    2010-01-01

    A study of peripheral nuclear collisions at Fermi energies with transport models is presented. It is motivated by experiments devoted to studying of isotopic yields in the reactions 18 O on 9 Be and 181 Ta at E/A = 35 MeV measured at very forward angles. The data show a two-component structure, one centered at beam velocity ('direct component') and another at lower velocities ('dissipative component'). It is shown that the transport calculations describe the general features of the dissipative component of the reaction. In our calculations we take into account the evaporation of the excited, primary projectile-like residues due to statistical decay. This improves the comparison of the results of the calculations with experiment. We find substantially different behavior of the dissipative component in the reactions with light and heavy target.

  7. Physical and chemical comparison of soot in hydrocarbon and biodiesel fuel diffusion flames: A study of model and commercial fuels

    Energy Technology Data Exchange (ETDEWEB)

    Matti Maricq, M. [Research and Advanced Engineering, Ford Motor Company, Dearborn, MI (United States)

    2011-01-15

    Data are presented to compare soot formation in both surrogate and practical fatty acid methyl ester biodiesel and petroleum fuel diffusion flames. The approach here uses differential mobility analysis to follow the size distributions and electrical charge of soot particles as they evolve in the flame, and laser ablation particle mass spectrometry to elucidate their composition. Qualitatively, these soot properties exhibit a remarkably similar development along the flames. The size distributions begin as a single mode of precursor nanoparticles, evolve through a bimodal phase marking the onset of aggregate formation, and end in a self preserving mode of fractal-like particles. Both biodiesel and hydrocarbon fuels yield a common soot composition dominated by C{sub x}H{sub y}{sup +} ions, stabilomer PAHs, and fullerenes in the positive ion mass spectrum, and C{sub x}{sup -} and C{sub 2x}H{sup -} in the negative ion spectrum. These ion intensities initially grow with height in the diffusion flames, but then decline during later stages, consistent with soot carbonization. There are important quantitative differences between fuels. The surrogate biodiesel fuel