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Sample records for reactive gas solids

  1. Gas sampling system for reactive gas-solid mixtures

    DOEpatents

    Daum, Edward D.; Downs, William; Jankura, Bryan J.; McCoury, Jr., John M.

    1990-01-01

    An apparatus and method for sampling gas containing a reactive particulate solid phase flowing through a duct and for communicating a representative sample to a gas analyzer. A sample probe sheath 32 with an angular opening 34 extends vertically into a sample gas duct 30. The angular opening 34 is opposite the gas flow. A gas sampling probe 36 concentrically located within sheath 32 along with calibration probe 40 partly extends in the sheath 32. Calibration probe 40 extends further in the sheath 32 than gas sampling probe 36 for purging the probe sheath area with a calibration gas during calibration.

  2. Gas sampling system for reactive gas-solid mixtures

    DOEpatents

    Daum, Edward D.; Downs, William; Jankura, Bryan J.; McCoury, Jr., John M.

    1989-01-01

    An apparatus and method for sampling a gas containing a reactive particulate solid phase flowing through a duct and for communicating a representative sample to a gas analyzer. A sample probe sheath 32 with an angular opening 34 extends vertically into a sample gas duct 30. The angular opening 34 is opposite the gas flow. A gas sampling probe 36 concentrically located within sheath 32 along with calibration probe 40 partly extend in the sheath 32. Calibration probe 40 extends further in the sheath 32 than gas sampling probe 36 for purging the probe sheath area with a calibration gas during calibration.

  3. A Model of Solid State Gas Sensors

    NASA Astrophysics Data System (ADS)

    Woestman, J. T.; Brailsford, A. D.; Shane, M.; Logothetis, E. M.

    1997-03-01

    Solid state gas sensors are widely used to measure the concentrations of gases such as CO, CH_4, C_3H_6, H_2, C_3H8 and O2 The applications of these sensors range from air-to-fuel ratio control in combustion processes including those in automotive engines and industrial furnaces to leakage detection of inflammable and toxic gases in domestic and industrial environments. As the need increases to accurately measure smaller and smaller concentrations, problems such as poor selectivity, stability and response time limit the use of these sensors. In an effort to overcome some of these limitations, a theoretical model of the transient behavior of solid state gas sensors has been developed. In this presentation, a model for the transient response of an electrochemical gas sensor to gas mixtures containing O2 and one reducing species, such as CO, is discussed. This model accounts for the transport of the reactive species to the sampling electrode, the catalyzed oxidation/reduction reaction of these species and the generation of the resulting electrical signal. The model will be shown to reproduce the results of published steady state models and to agree with experimental steady state and transient data.

  4. Method for reactivating solid catalysts used in alkylation reactions

    DOEpatents

    Ginosar, Daniel M.; Thompson, David N.; Coates, Kyle; Zalewski, David J.; Fox, Robert V.

    2003-06-17

    A method for reactivating a solid alkylation catalyst is provided which can be performed within a reactor that contains the alkylation catalyst or outside the reactor. Effective catalyst reactivation is achieved whether the catalyst is completely deactivated or partially deactivated. A fluid reactivating agent is employed to dissolve catalyst fouling agents and also to react with such agents and carry away the reaction products. The deactivated catalyst is contacted with the fluid reactivating agent under pressure and temperature conditions such that the fluid reactivating agent is dense enough to effectively dissolve the fouling agents and any reaction products of the fouling agents and the reactivating agent. Useful pressures and temperatures for reactivation include near-critical, critical, and supercritical pressures and temperatures for the reactivating agent. The fluid reactivating agent can include, for example, a branched paraffin containing at least one tertiary carbon atom, or a compound that can be isomerized to a molecule containing at least one tertiary carbon atom.

  5. Method For Reactivating Solid Catalysts Used For Alklation Reactions

    DOEpatents

    Ginosar, Daniel M.; Thompson, David N.; Coates, Kyle; Zalewski, David J.; Fox, Robert V.

    2005-05-03

    A method for reactivating a solid alkylation catalyst is provided which can be performed within a reactor that contains the alkylation catalyst or outside the reactor. Effective catalyst reactivation is achieved whether the catalyst is completely deactivated or partially deactivated. A fluid reactivating agent is employed to dissolve catalyst fouling agents and also to react with such agents and carry away the reaction products. The deactivated catalyst is contacted with the fluid reactivating agent under pressure and temperature conditions such that the fluid reactivating agent is dense enough to effectively dissolve the fouling agents and any reaction products of the fouling agents and the reactivating agent. Useful pressures and temperatures for reactivation include near-critical, critical, and supercritical pressures and temperatures for the reactivating agent. The fluid reactivating agent can include, for example, a branched paraffin containing at least one tertiary carbon atom, or a compound that can be isomerized to a molecule containing at least one tertiary carbon atom.

  6. Gasification reactivities of solid biomass fuels

    SciTech Connect

    Moilanen, A.; Kurkela, E.

    1995-12-31

    The design and operation of the biomass based gasification processes require knowledge about the biomass feedstocks characteristics and their typical gasification behaviour in the process. In this study, the gasification reactivities of various biomasses were investigated in laboratory scale Pressurized Thermogravimetric apparatus (PTG) and in the PDU-scale (Process Development Unit) Pressurized Fluidized-Bed (PFB) gasification test facility of VTT.

  7. Chemical reactivity in solid-state pharmaceuticals: formulation implications.

    PubMed

    Byrn, S R; Xu, W; Newman, A W

    2001-05-16

    Solid-state reactions that occur in drug substances and formulations include solid-state phase transformations, dehydration/desolvation, and chemical reactions. Chemical reactivity is the focus of this chapter. Of particular interest are cases where the drug-substance may be unstable or react with excipients in the formulation. Water absorption can enhance molecular mobility of solids and lead to solid-state reactivity. Mobility can be measured using various methods including glass transition (T(g)) measurements, solid-state NMR, and X-ray crystallography. Solid-state reactions of drug substances can include oxidation, cyclization, hydrolysis, and deamidation. Oxidation studies of vitamin A, peptides (DL-Ala-DL-Met, N-formyl-Met-Leu-Phe methyl ester, and Met-enkaphalin acetate salt), and steroids (hydrocortisone and prednisolone derivatives) are discussed. Cyclization reactions of crystalline and amorphous angiotensin-converting enzyme (ACE) inhibitors (spirapril hydrochloride, quinapril hydrochloride, and moexipril) are presented which investigate mobility and chemical reactivity. Examples of drug-excipient interactions, such as transacylation, the Maillard browning reaction, and acid base reactions are discussed for a variety of compounds including aspirin, fluoxitine, and ibuprofen. Once solid-state reactions are understood in a pharmaceutical system, the necessary steps can be taken to prevent reactivity and improve the stability of drug substances and products. PMID:11325479

  8. Spatially Resolved Quantification of the Surface Reactivity of Solid Catalysts.

    PubMed

    Huang, Bing; Xiao, Li; Lu, Juntao; Zhuang, Lin

    2016-05-17

    A new property is reported that accurately quantifies and spatially describes the chemical reactivity of solid surfaces. The core idea is to create a reactivity weight function peaking at the Fermi level, thereby determining a weighted summation of the density of states of a solid surface. When such a weight function is defined as the derivative of the Fermi-Dirac distribution function at a certain non-zero temperature, the resulting property is the finite-temperature chemical softness, termed Fermi softness (SF ), which turns out to be an accurate descriptor of the surface reactivity. The spatial image of SF maps the reactive domain of a heterogeneous surface and even portrays morphological details of the reactive sites. SF analyses reveal that the reactive zones on a Pt3 Y(111) surface are the platinum sites rather than the seemingly active yttrium sites, and the reactivity of the S-dimer edge of MoS2 is spatially anisotropic. Our finding is of fundamental and technological significance to heterogeneous catalysis and industrial processes demanding rational design of solid catalysts. PMID:27072349

  9. Viscoelasticity Using Reactive Constrained Solid Mixtures

    PubMed Central

    Ateshian, Gerard A.

    2015-01-01

    This study presents a framework for viscoelasticity where the free energy density depends on the stored energy of intact strong and weak bonds, where weak bonds break and reform in response to loading. The stress is evaluated by differentiating the free energy density with respect to the deformation gradient, similar to the conventional approach for hyperelasticity. The breaking and reformation of weak bonds is treated as a reaction governed by the axiom of mass balance, where the constitutive relation for the mass supply governs the bond kinetics. The evolving mass contents of these weak bonds serve as observable state variables. Weak bonds reform in an energy-free and stress-free state, therefore their reference configuration is given by the current configuration at the time of their reformation. A principal advantage of this formulation is the availability of a strain energy density function that depends only on observable state variables, also allowing for a separation of the contributions of strong and weak bonds. The Clausius-Duhem inequality is satisfied by requiring that the net free energy from all breaking bonds must be decreasing at all times. In the limit of infinitesimal strains, linear stress-strain responses and first-order kinetics for breaking and reforming of weak bonds, the reactive framework reduces exactly to classical linear viscoelasticity. For large strains, the reactive and classical quasilinear viscoelasticity theories produce different equations, though responses to standard loading configurations behave similarly. This formulation complements existing tools for modeling the nonlinear viscoelastic response of biological soft tissues under large deformations. PMID:25757663

  10. Viscoelasticity using reactive constrained solid mixtures.

    PubMed

    Ateshian, Gerard A

    2015-04-13

    This study presents a framework for viscoelasticity where the free energy density depends on the stored energy of intact strong and weak bonds, where weak bonds break and reform in response to loading. The stress is evaluated by differentiating the free energy density with respect to the deformation gradient, similar to the conventional approach for hyperelasticity. The breaking and reformation of weak bonds is treated as a reaction governed by the axiom of mass balance, where the constitutive relation for the mass supply governs the bond kinetics. The evolving mass contents of these weak bonds serve as observable state variables. Weak bonds reform in an energy-free and stress-free state, therefore their reference configuration is given by the current configuration at the time of their reformation. A principal advantage of this formulation is the availability of a strain energy density function that depends only on observable state variables, also allowing for a separation of the contributions of strong and weak bonds. The Clausius-Duhem inequality is satisfied by requiring that the net free energy from all breaking bonds must be decreasing at all times. In the limit of infinitesimal strains, linear stress-strain responses and first-order kinetics for breaking and reforming of weak bonds, the reactive framework reduces exactly to classical linear viscoelasticity. For large strains, the reactive and classical quasilinear viscoelasticity theories produce different equations, though responses to standard loading configurations behave similarly. This formulation complements existing tools for modeling the nonlinear viscoelastic response of biological soft tissues under large deformations. PMID:25757663

  11. End-Member Formulation of Solid Solutions and Reactive Transport

    SciTech Connect

    Lichtner, Peter C.

    2015-09-01

    A model for incorporating solid solutions into reactive transport equations is presented based on an end-member representation. Reactive transport equations are solved directly for the composition and bulk concentration of the solid solution. Reactions of a solid solution with an aqueous solution are formulated in terms of an overall stoichiometric reaction corresponding to a time-varying composition and exchange reactions, equivalent to reaction end-members. Reaction rates are treated kinetically using a transition state rate law for the overall reaction and a pseudo-kinetic rate law for exchange reactions. The composition of the solid solution at the onset of precipitation is assumed to correspond to the least soluble composition, equivalent to the composition at equilibrium. The stoichiometric saturation determines if the solid solution is super-saturated with respect to the aqueous solution. The method is implemented for a simple prototype batch reactor using Mathematica for a binary solid solution. Finally, the sensitivity of the results on the kinetic rate constant for a binary solid solution is investigated for reaction of an initially stoichiometric solid phase with an undersaturated aqueous solution.

  12. Flowmeter for gas-entrained solids flow

    DOEpatents

    Porges, Karl G.

    1990-01-01

    An apparatus and method for the measurement of solids feedrate in a gas-entrained solids flow conveyance system. The apparatus and method of the present invention include a vertical duct connecting a source of solids to the gas-entrained flow conveyance system, a control valve positioned in the vertical duct, and a capacitive densitometer positioned along the duct at a location a known distance below the control valved so that the solid feedrate, Q, of the gas entrained flow can be determined by Q=S.rho..phi.V.sub.S where S is the cross sectional area of the duct, .rho. is the density of the solid, .phi. is the solid volume fraction determined by the capacitive densitometer, and v.sub.S is the local solid velocity which can be inferred from the konown distance of the capacitive densitometer below the control valve.

  13. Solid polymer battery electrolyte and reactive metal-water battery

    DOEpatents

    Harrup, Mason K.; Peterson, Eric S.; Stewart, Frederick F.

    2000-01-01

    In one implementation, a reactive metal-water battery includes an anode comprising a metal in atomic or alloy form selected from the group consisting of periodic table Group 1A metals, periodic table Group 2A metals and mixtures thereof. The battery includes a cathode comprising water. Such also includes a solid polymer electrolyte comprising a polyphosphazene comprising ligands bonded with a phosphazene polymer backbone. The ligands comprise an aromatic ring containing hydrophobic portion and a metal ion carrier portion. The metal ion carrier portion is bonded at one location with the polymer backbone and at another location with the aromatic ring containing hydrophobic portion. The invention also contemplates such solid polymer electrolytes use in reactive metal/water batteries, and in any other battery.

  14. Reactive vaporization of oxides in solid oxide fuel cell systems

    NASA Astrophysics Data System (ADS)

    Key, Camas Fought

    Metals such as chromium, aluminum and silicon are of extreme technological and industrial importance due to the corrosion resistance they offer in oxidizing environments at high temperature. Much of this robustness is based on the formation of a thin, well-adhered metal-oxide (MO) layer on the surface of the metal. In particularly corrosive environments or at high-enough temperatures and or pressures, the MO will chemically react with constituents in the surrounding gas, removing atoms from the solid. For many systems, material loss and subsequent mechanical failure is the foremost concern. However, in solid oxide fuel cell (SOFC) systems, the presence of gaseous metal species leads to severe degradation in electrochemical performance well before mechanical limits are reached. Reactive vaporization from ferritic stainless steels, chromia, aluminosilicates and a candidate electrode material (Sr2VMoO6), was investigated using the transpiration method. Two novel collection methods were employed: condensation of vapors on wafer collectors analyzed with Rutherford backscattering spectrometry (RBS); and, condensation of vapors on quartz wool analyzed via inductively coupled plasma mass spectroscopy (ICP-MS). Identification and quantification of vapor species provided assessment of material performance in SOFC environments. Experiments demonstrated that Cr vapor species from ferritic stainless steels used for SOFC interconnect applications could be reduced by as much as one order of magnitude through the application of barrier coatings. Base alloys were compared and exhibited a variety of Cr vaporization rates despite being similar in composition, thus illustrating the importance of minor elemental constituents in the alloy. Measurements identified Si as the primary volatile element in aluminosilicate materials when Si concentrations in the bulk material were as low as one percent. Aluminosilicate materials demonstrated a burn out phase during the first hundred hours at

  15. Enhanced electrodes for solid state gas sensors

    DOEpatents

    Garzon, Fernando H.; Brosha, Eric L.

    2001-01-01

    A solid state gas sensor generates an electrical potential between an equilibrium electrode and a second electrode indicative of a gas to be sensed. A solid electrolyte substrate has the second electrode mounted on a first portion of the electrolyte substrate and a composite equilibrium electrode including conterminous transition metal oxide and Pt components mounted on a second portion of the electrolyte substrate. The composite equilibrium electrode and the second electrode are electrically connected to generate an electrical potential indicative of the gas that is being sensed. In a particular embodiment of the present invention, the second electrode is a reference electrode that is exposed to a reference oxygen gas mixture so that the electrical potential is indicative of the oxygen in a gas stream.

  16. Gas Phase Reactivity of Carboxylates with N-Hydroxysuccinimide Esters

    NASA Astrophysics Data System (ADS)

    Peng, Zhou; McGee, William M.; Bu, Jiexun; Barefoot, Nathan Z.; McLuckey, Scott A.

    2015-01-01

    N-hydroxysuccinimide (NHS) esters have been used for gas-phase conjugation reactions with peptides at nucleophilic sites, such as primary amines (N-terminus, ɛ-amine of lysine) or guanidines, by forming amide bonds through a nucleophilic attack on the carbonyl carbon. The carboxylate has recently been found to also be a reactive nucleophile capable of initiating a similar nucleophilic attack to form a labile anhydride bond. The fragile bond is easily cleaved, resulting in an oxygen transfer from the carboxylate-containing species to the reagent, nominally observed as a water transfer. This reactivity is shown for both peptides and non-peptidic species. Reagents isotopically labeled with O18 were used to confirm reactivity. This constitutes an example of distinct differences in reactivity of carboxylates between the gas phase, where they are shown to be reactive, and the solution phase, where they are not regarded as reactive with NHS esters.

  17. Design guidelines for solid-catalyzed reactive distillation systems

    SciTech Connect

    Subawalla, H.; Fair, J.R.

    1999-10-01

    In this paper the authors discuss design guidelines for solid-catalyzed reactive distillation systems. The guidelines are used to generate initial estimates for column pressure, reactive zone location, catalyst mass, reactant feed location, reactant ratio, reflux ratio, column diameter, number of equilibrium stages, and packed height. They form a part of a methodical design procedure that makes extensive use of both nonequilibrium (rate-based) and equilibrium-stage simulation models. Important choices prior to design include selection of reliable thermodynamic and reaction kinetic models. The authors tested the guidelines for two etherification systems and validated them experimentally for a hydration reaction. The results from a case study, the manufacture of tert-amyl methyl ether, are shown here. Superimposing reaction on separation leads to unique design trade-offs. Thus, column diameter depends both on maximum vapor velocity and on packing catalyst density, reactant ratios are a function of conversion and azeotrope formation, the operating pressure affects the relative volatility, chemical equilibrium, and reaction rate (reactive zone temperature), and the reflux ratio impacts both separation and conversion. The guidelines and procedures presented here simplify the detailed reactive column design considerably.

  18. Solid fuel volatilization to produce synthesis gas

    SciTech Connect

    Schmidt, Lanny D.; Dauenhauer, Paul J.; Degenstein, Nick J.; Dreyer, Brandon J.; Colby, Joshua L.

    2014-07-29

    A method comprising contacting a carbon and hydrogen-containing solid fuel and a metal-based catalyst in the presence of oxygen to produce hydrogen gas and carbon monoxide gas, wherein the contacting occurs at a temperature sufficiently high to prevent char formation in an amount capable of stopping production of the hydrogen gas and the carbon monoxide gas is provided. In one embodiment, the metal-based catalyst comprises a rhodium-cerium catalyst. Embodiments further include a system for producing syngas. The systems and methods described herein provide shorter residence time and high selectivity for hydrogen and carbon monoxide.

  19. Method for generating a highly reactive plasma for exhaust gas after treatment and enhanced catalyst reactivity

    SciTech Connect

    Whealton, John H.; Hanson, Gregory R.; Storey, John M.; Raridon, Richard J.; Armfield, Jeffrey S.; Bigelow, Timothy S.; Graves, Ronald L.

    2000-07-01

    This patent application describes a method and apparatus of exhaust gas remediation that enhance the reactivity of the material catalysts found within catalytic converters of cars, trucks, and power stations.

  20. A Gas-Kinetic Scheme for Reactive Flows

    NASA Technical Reports Server (NTRS)

    Lian,Youg-Sheng; Xu, Kun

    1998-01-01

    In this paper, the gas-kinetic BGK scheme for the compressible flow equations is extended to chemical reactive flow. The mass fraction of the unburnt gas is implemented into the gas kinetic equation by assigning a new internal degree of freedom to the particle distribution function. The new variable can be also used to describe fluid trajectory for the nonreactive flows. Due to the gas-kinetic BGK model, the current scheme basically solves the Navier-Stokes chemical reactive flow equations. Numerical tests validate the accuracy and robustness of the current kinetic method.

  1. APPARATUS FOR SHORT TIME MEASUREMENTS IN A FIXED-BED, GAS/SOLID REACTOR

    EPA Science Inventory

    An apparatus for exposure of a solid to reactive process gas is described which makes possible short time (≥ 0.3 to 15 s) exposures in a fixed-bed reactor. Operating conditions for differential reaction with respect to the gas concentration and rapid quench for arresting hi...

  2. Gas-solid flow in vertical tubes

    SciTech Connect

    Pita, J.A.; Sundaresan, S. )

    1991-07-01

    This paper reports on a computational study of fully-developed flow of gas-particle suspensions in vertical pipes which was carried out, using the model proposed recently by Sinclair and Jackson, to understand the predicted scale-up characteristics. It was shown that the model can capture the existence of steady-state multiplicity wherein different pressure gradients can be obtained for the same gas and solids fluxes. A pronounced and nonmonotonic variation of the pressure gradient required to achieve desired fluxes of solid and gas with tube diameter was predicted by the model, and this is explained on a physical basis. The computed results were compared with the experimental data. The model manifests an unsatisfactory degree of sensitivity to the inelasticity of the particle-particle collisions and the damping of particle-phase fluctuating motion by the gas.

  3. Pyrolysis process for producing condensed stabilized hydrocarbons utilizing a beneficially reactive gas

    DOEpatents

    Durai-Swamy, Kandaswamy

    1982-01-01

    In a process for recovery of values contained in solid carbonaceous material, the solid carbonaceous material is comminuted and then subjected to pyrolysis, in the presence of a carbon containing solid particulate source of heat and a beneficially reactive transport gas in a transport flash pyrolysis reactor, to form a pyrolysis product stream. The pyrolysis product stream contains a gaseous mixture and particulate solids. The solids are separated from the gaseous mixture to form a substantially solids-free gaseous stream which comprises volatilized hydrocarbon free radicals newly formed by pyrolysis. Preferably the solid particulate source of heat is formed by oxidizing part of the separated particulate solids. The beneficially reactive transport gas inhibits the reactivity of the char product and the carbon-containing solid particulate source of heat. Condensed stabilized hydrocarbons are obtained by quenching the gaseous mixture stream with a quench fluid which contains a capping agent for stabilizing and terminating newly formed volatilized hydrocarbon free radicals. The capping agent is partially depleted of hydrogen by the stabilization and termination reaction. Hydrocarbons of four or more carbon atoms in the gaseous mixture stream are condensed. A liquid stream containing the stabilized liquid product is then treated or separated into various fractions. A liquid containing the hydrogen depleted capping agent is hydrogenated to form a regenerated capping agent. At least a portion of the regenerated capping agent is recycled to the quench zone as the quench fluid. In another embodiment capping agent is produced by the process, separated from the liquid product mixture, and recycled.

  4. Preliminary Results of Solid Gas Generator Micropropulsion

    NASA Technical Reports Server (NTRS)

    deGroot, Wilhelmus A.; Reed, Brian D.; Brenizer, Marshall

    1999-01-01

    A decomposing solid thruster concept, which creates a more benign thermal and chemical environment than solid propellant combustion, while maintaining, performance similar to solid combustion, is described. A Micro-Electro-Mechanical (MEMS) thruster concept with diode laser and fiber-optic initiation is proposed, and thruster components fabricated with MEMS technology are presented. A high nitrogen content solid gas generator compound is evaluated and tested in a conventional axisymmetric thrust chamber with nozzle throat area ratio of 100. Results show incomplete decomposition of this compound in both low pressure (1 kPa) and high pressure (1 MPa) environments, with decomposition of up to 80% of the original mass. Chamber pressures of 1.1 MPa were obtained, with maximum calculated thrust of approximately 2.7 N. Resistively heated wires and resistively heated walls were used to initiate decomposition. Initiation tests using available lasers were unsuccessful, but infrared spectra of the compound show that the laser initiation tests used inappropriate wavelengths for optimal propellant absorption. Optimal wavelengths for laser ignition were identified. Data presented are from tests currently in progress. Alternative solid gas generator compounds are being evaluated for future tests.

  5. Method for improved gas-solids separation

    DOEpatents

    Kusik, Charles L.; He, Bo X.

    1990-01-01

    Methods are disclosed for the removal of particulate solids from a gas stream at high separation efficiency, including the removal of submicron size particles. The apparatus includes a cyclone separator type of device which contains an axially mounted perforated cylindrical hollow rotor. The rotor is rotated at high velocity in the same direction as the flow of an input particle-laden gas stream to thereby cause enhanced separation of particulate matter from the gas stream in the cylindrical annular space between the rotor and the sidewall of the cyclone vessel. Substantially particle-free gas passes through the perforated surface of the spinning rotor and into the hollow rotor, from when it is discharged out of the top of the apparatus. Separated particulates are removed from the bottom of the vessel.

  6. Method for improved gas-solids separation

    DOEpatents

    Kusik, C.L.; He, B.X.

    1990-11-13

    Methods are disclosed for the removal of particulate solids from a gas stream at high separation efficiency, including the removal of submicron size particles. The apparatus includes a cyclone separator type of device which contains an axially mounted perforated cylindrical hollow rotor. The rotor is rotated at high velocity in the same direction as the flow of an input particle-laden gas stream to thereby cause enhanced separation of particulate matter from the gas stream in the cylindrical annular space between the rotor and the sidewall of the cyclone vessel. Substantially particle-free gas passes through the perforated surface of the spinning rotor and into the hollow rotor, from where it is discharged out of the top of the apparatus. Separated particulates are removed from the bottom of the vessel. 4 figs.

  7. Microencapsulation of liquid and solid substances by reactive polymers.

    PubMed

    Shevchuk, O; Serdiuk, V; Bukartyk, N; Moncibovich, R; Tokarev, V

    2014-01-01

    This study is devoted to the development of techniques for the formation of polymeric microcapsules (MC) with either liquid or solid core and with the polymer shell containing diverse functional groups on the basis of new reactive functional copolymers (FC). Two approaches to the formation of MC containing FC shell that included the stages of "oil-in-water" or "water-in-oil" dispersion preparation followed by slow extraction of solvents from dispersed phase by dispersive media were examined. FC with the same structure was successfully applied for both "oil-in-water" and "water-in-oil" systems. Spherical MC with the liquid hydrocarbon core demonstrated essential increase in their volume after heating at the temperature exceeding a boiling point of hydrocarbon encapsulated. Presence of reactive groups in the MC shell opens up new opportunity for further tuning the MC properties via their interaction with proper compounds, particularly via graft-polymerisation of diverse vinyl monomers initiated from the MC surface. PMID:24697175

  8. Ultrasonic levitation for the examination of gas/solid reactions

    NASA Astrophysics Data System (ADS)

    Kavouras, A.; Krammer, G.

    2003-10-01

    An experimental setup based on acoustic levitation for the examination of gas/solid reactions is presented. In this setup single particles in the diameter range 1 mm-30 μm can be held against gravity for any wanted time in a defined gas atmosphere at elevated temperatures. The change of particle size, shape, and position can be measured and recorded using an optical device, consisting of a camera and a long range microscope. Basic experiments with inert particles of different shape and solid density have shown that the axial position of a reacting particle can be employed to derive its weight change. A method to evaluate this change of the recorded position for the according weight change is proposed. Exemplary results in the context of dry flue gas cleaning using Ca(OH)2 powder are presented. Single Ca(OH)2 particles are exposed to a well defined gas atmosphere and after some time these particles are retrieved from the ultrasonic field for further analyses. Only an in situ measurement of the particle weight change (i.e., without removing the particle from the well defined reactive atmosphere) brings information regarding the uptake of water by the sorbent, which accompanies SO2 and HCl absorption.

  9. Pore structure and reactivity changes in hot coal gas desulfurization sorbents

    SciTech Connect

    Sotirchos, S.V.

    1991-05-01

    The primary objective of the project was the investigation of the pore structure and reactivity changes occurring in metal/metal oxide sorbents used for desulfurization of hot coal gas during sulfidation and regeneration, with particular emphasis placed on the effects of these changes on the sorptive capacity and efficiency of the sorbents. Commercially available zinc oxide sorbents were used as model solids in our experimental investigation of the sulfidation and regeneration processes.

  10. Solid-state power supply for gas lasers

    NASA Astrophysics Data System (ADS)

    Bertolini, A.; Beverini, N.; Carelli, G.; Francesconi, M.; Nannizzi, M.; Strumia, F.; Ioli, N.; Moretti, A.

    2004-08-01

    A novel pulsed power supply for gas lasers is presented. The device uses only solid state components and is based on a capacitor bank discharge. Fast switching of the discharge is triggered by an insulated gate bipolar transistor. The terminal section of the power supply is a transformer designed to match the reactive capacitance of a gas discharge. Strokes up to 30 kV and 30 mA are achieved across the secondary windings of this transformer. The power supply delivers high voltage pulses with a duration between 0.5 and 50 μs and a repetition rate up to some kHz. The power supply has been tested on a longitudinal discharge quasi-cw regime CO2 laser. Laser pulses were generated with a duration down to the microseconds region, a peak power exceeding some kilowatts, and a repetition rate ranging from 200 Hz to a few kHz.

  11. Gas atomization synthesis of refractory or intermetallic compounds and supersaturated solid solutions

    DOEpatents

    Anderson, I.E.; Lograsso, B.K.; Ellis, T.W.

    1994-11-29

    A metallic melt is atomized using a high pressure atomizing gas wherein the temperature of the melt and the composition of the atomizing gas are selected such that the gas and melt react in the atomization spray zone to form a refractory or intermetallic compound in the as-atomized powder particles. A metallic melt is also atomized using a high pressure atomizing gas mixture gas wherein the temperature of the melt and the ratio of a reactive gas to a carrier gas are selected to form powder particles comprising a supersaturated solid solution of the atomic species of the reactive gas in the particles. The powder particles are then heat treated to precipitate dispersoids in-situ therein to form a dispersion strengthened material. 9 figures.

  12. Gas atomization synthesis of refractory or intermetallic compounds and supersaturated solid solutions

    SciTech Connect

    Anderson, Iver E.; Lograsso, Barbara K.; Ellis, Timothy W.

    1994-01-01

    A metallic melt is atomized using a high pressure atomizing gas wherein the temperature of the melt and the composition of the atomizing gas are selected such that the gas and melt react in the atomization spray zone to form a refractory or intermetallic compound in the as-atomized powder particles. A metallic melt is also atomized using a high pressure atomizing gas mixture gas wherein the temperature of the melt and the ratio of a reactive gas to a carrier gas are selected to form powder particles comprising a supersaturated solid solution of the atomic species of the reactive gas in the particles. The powder particles are then heat treated to precipitate dispersoids in-situ therein to form a dispersion strengthened material.

  13. Nanocrystalline films for gas-reactive applications

    DOEpatents

    Eastman, Jeffrey A.; Thompson, Loren J.

    2004-02-17

    A gas sensor for detection of oxidizing and reducing gases, including O.sub.2, CO.sub.2, CO, and H.sub.2, monitors the partial pressure of a gas to be detected by measuring the temperature rise of an oxide-thin-film-coated metallic line in response to an applied electrical current. For a fixed input power, the temperature rise of the metallic line is inversely proportional to the thermal conductivity of the oxide coating. The oxide coating contains multi-valent cation species that change their valence, and hence the oxygen stoichiometry of the coating, in response to changes in the partial pressure of the detected gas. Since the thermal conductivity of the coating is dependent on its oxygen stoichiometry, the temperature rise of the metallic line depends on the partial pressure of the detected gas. Nanocrystalline (<100 nm grain size) oxide coatings yield faster sensor response times than conventional larger-grained coatings due to faster oxygen diffusion along grain boundaries rather than through grain interiors.

  14. Multicomponent Transport in Polyatomic Reactive Gas Mixtures

    NASA Astrophysics Data System (ADS)

    Giovangigli, Vincent

    2011-05-01

    We investigate multicomponent reactive flow models derived from the kinetic theory of gases. We discuss in particular the conservation equations, the transport fluxes and the transport coefficients in weak and strong magnetic fields. The mathematical properties of the resulting hyperbolic-parabolic systems of partial differential equations modeling multicomponent flows are deduced from the underlying kinetic framework. The structure and solution of the transport linear systems associated with the evaluation of transport coefficients are also addressed. In particular, the convergence of iterative techniques is deduced from the properties of the linearized Boltzmann collision operator. The impact of multicomponent transport is also discussed, notably the importance of Soret effects in various flows and the impact of volume viscosity.

  15. Multicomponent Transport in Polyatomic Reactive Gas Mixtures

    SciTech Connect

    Giovangigli, Vincent

    2011-05-20

    We investigate multicomponent reactive flow models derived from the kinetic theory of gases. We discuss in particular the conservation equations, the transport fluxes and the transport coefficients in weak and strong magnetic fields. The mathematical properties of the resulting hyperbolic-parabolic systems of partial differential equations modeling multicomponent flows are deduced from the underlying kinetic framework. The structure and solution of the transport linear systems associated with the evaluation of transport coefficients are also addressed. In particular, the convergence of iterative techniques is deduced from the properties of the linearized Boltzmann collision operator. The impact of multicomponent transport is also discussed, notably the importance of Soret effects in various flows and the impact of volume viscosity.

  16. Evaluation of the effect of elastic joints on the auto-oscillation of spacecraft with gas-reactive direction systems

    NASA Technical Reports Server (NTRS)

    Sasin, G. G.

    1979-01-01

    A mathematical model was obtained, on the basis of the method of mixed coordinates, of a generalized flexible spacecraft at one end of which was appended the directive action of a system of gas reactive nozzles. Various structural forms were obtained functionally describing flexible spacecraft, as systems consisting of a solid central body with flexible structural elements joined to it.

  17. Solid surface mapping by inverse gas chromatography.

    PubMed

    Gutiérrez, M C; Osuna, S; Baráibar, I

    2005-09-16

    Inverse gas chromatography (IGC) at infinite dilution, is a technique for characterising solid surfaces. Current practice is the injection of n-alkane homologous series to obtain the free energy of adsorption of the CH2 group, from which the London component of the solid surface free energy, gamma(d)s, is calculated. A value around 40 mJ/m2 is obtained for poly(ethylene), and 30 mJ/m2 for a clean glass fibre, while the potential surface interactivity of a glass fibre is far greater than that of poly(ethylene). A specific component of the surface, in mJ/m2, should be calculated in order to obtain significant parameters. As applied up to date, when calculating the specific component of the surface energy, the fact that W(sp)a energy values are in a totally different scale than AN or DN values is a major drawback. Consequently, Ka and Kb values obtained are in arbitrary energy units, different from those of the London component measured by injecting the n-alkane series. This paper proposes a method to obtain Ka and Kb values of the surface in the same energetic scale than the London component. The method enables us to correct the traditional London component of a solid, obtaining a new value, where the amount of WaCH2 accounting for Debye interactions with polar sites, is excluded. As a result, an approach to surface mapping is performed in several different substrate materials. We show results obtained on different solid surfaces: poly(ethylene), clean glass fibre, glass beads, chemically modified glass beads and carbon fibre. PMID:16130707

  18. Gas-phase reactivity of ruthenium carbonyl cluster anions.

    PubMed

    Henderson, Matthew A; Kwok, Samantha; McIndoe, J Scott

    2009-04-01

    Partially-ligated anionic ruthenium carbonyl clusters react with alkenes, arenes, and alkanes in the gas phase; the products undergo extensive C-H activation and lose dihydrogen and carbon monoxide under collision-induced dissociation conditions. Triethylsilane and phenylsilane are also reactive towards the unsaturated clusters, and oxygen was shown to rapidly break down the cluster core by oxidative cleavage of the metal-metal bonds. These qualitative gas-phase reactivity studies were conducted using an easily-installed and inexpensive modification of a commercial electrospray ionization mass spectrometer. Interpretation of the large amounts of data generated in these studies is made relatively straightforward by employing energy-dependent electrospray ionization mass spectrometry (EDESI-MS). PMID:19185511

  19. Compact solid source of hydrogen gas

    DOEpatents

    Kravitz, Stanley H.; Hecht, Andrew M.; Sylwester, Alan P.; Bell, Nelson S.

    2004-06-08

    A compact solid source of hydrogen gas, where the gas is generated by contacting water with micro-disperse particles of sodium borohydride in the presence of a catalyst, such as cobalt or ruthenium. The micro-disperse particles can have a substantially uniform diameter of 1-10 microns, and preferably about 3-5 microns. Ruthenium or cobalt catalytic nanoparticles can be incorporated in the micro-disperse particles of sodium borohydride, which allows a rapid and complete reaction to occur without the problems associated with caking and scaling of the surface by the reactant product sodium metaborate. A closed loop water management system can be used to recycle wastewater from a PEM fuel cell to supply water for reacting with the micro-disperse particles of sodium borohydride in a compact hydrogen gas generator. Capillary forces can wick water from a water reservoir into a packed bed of micro-disperse fuel particles, eliminating the need for using an active pump.

  20. Harmonically Perturbed Gas-Solid Fluidized System

    NASA Astrophysics Data System (ADS)

    Nix, S. T.; Muller, M. R.

    1996-11-01

    Experiments were performed on a harmonically perturbed gas-solid fluidized system, to determine the extent to which the total system behaved as a liquid in regards to the aspects of resonant frequency, wave shapes, and damping effects. The fluidized system consists of a cylindrical alumina oxide/air fluidized bed which is vertically perturbed in a symmetrical fashion by externally vibrating the entire vessel. The external vibrations were carried out over various flow rates, amplitudes, and frequencies. The results obtained could then be compared to the natural frequencies of water for the same governing parameters by analytical means. The effects of excitations on the formation of voidage disturbances or "gas bubbles" was also investigated. Data acquisition enabled the determination of both the amplitude and frequency of the waves generated in the bath. Results indicate that external vertical vibration caused the mean surface level of the bed to drop. This can be attributed to a closer packing of the particles along with a decrease in the number and size of gas bubbles in the bed.

  1. Analysis of the gas phase reactivity of chlorosilanes.

    PubMed

    Ravasio, Stefano; Masi, Maurizio; Cavallotti, Carlo

    2013-06-27

    Trichlorosilane is the most used precursor to deposit silicon for photovoltaic applications. Despite of this, its gas phase and surface kinetics have not yet been completely understood. In the present work, it is reported a systematic investigation aimed at determining what is the dominant gas phase chemistry active during the chemical vapor deposition of Si from trichlorosilane. The gas phase mechanism was developed calculating the rate constant of each reaction using conventional transition state theory in the rigid rotor-harmonic oscillator approximation. Torsional vibrations were described using a hindered rotor model. Structures and vibrational frequencies of reactants and transition states were determined at the B3LYP/6-31+G(d,p) level, while potential energy surfaces and activation energies were computed at the CCSD(T) level using aug-cc-pVDZ and aug-cc-pVTZ basis sets extrapolating to the complete basis set limit. As gas phase and surface reactivities are mutually interlinked, simulations were performed using a microkinetic surface mechanism. It was found that the gas phase reactivity follows two different routes. The disilane mechanism, in which the formation of disilanes as reaction intermediates favors the conversion between the most stable monosilane species, and the radical pathway, initiated by the decomposition of Si2HCl5 and followed by a series of fast propagation reactions. Though both mechanisms are active during deposition, the simulations revealed that above a certain temperature and conversion threshold the radical mechanism provides a faster route for the conversion of SiHCl3 into SiCl4, a reaction that favors the overall Si deposition process as it is associated with the consumption of HCl, a fast etchant of Si. Also, this study shows that the formation of disilanes as reactant intermediates promotes significantly the gas phase reactivity, as they contribute both to the initiation of radical chain mechanisms and provide a catalytic route for

  2. Hydrodesulfurization reactivities of various sulfur compounds in vacuum gas oil

    SciTech Connect

    Ma, X.; Sakanishi, K.; Mochida, I.

    1996-08-01

    The hydrodesulfurization (HDS) of a vacuum gas oil (VGO) was performed at 360 C (6.9 MPa) over a commercial NiMo catalyst to examine the HDS reactivities of various sulfur compounds which exist in the VGO by means of quantitative pseudo-first-order kinetic analysis. Four representative types of aromatic-skeleton sulfur compounds were observed in the VGO: alkylbenzothiophenes (BTs), alkyldibenzothiophenes (DBTs), alkylphenanthro[4,5-b,c,d]thiophenes (PTs), and alkylbenzonaphthothiophenes (BNTs). Among these, alkyl-BTs exhibited the highest HDS reactivity, whereas alkyl-DBTs with alkyl substituents at the 4 and/or 6 positions appeared to have the least reactivity even though their aromatic-skeleton is smaller than those of both alkyl-PTs and -BNTs. Steric hindrance of alkyl groups at specific positions appears to be a major reason for the low reactivity. Quantum chemical calculations on representative sulfur compounds were carried out to compare molecular parameters with their different HDS reactivities.

  3. Study of Parameters Effect on Hydrodynamics of a Gas-Solid Chamber Experimentally and Numerically

    NASA Astrophysics Data System (ADS)

    Hamzehei, Mahdi; Rahimzadeh, Hassan

    2012-04-01

    In this research, gas velocity, initial static bed height and particle size effect on hydrodynamics of a non-reactive gas-solid fluidized bed chamber were studied experimentally and computationally. A multi fluid Eulerian model incorporating the kinetic theory for solid particles was applied to simulate the unsteady state behavior of this chamber and momentum exchange coefficients were calculated by using the Syamlal- O'Brien drag functions. Simulation results were compared with the experimental data in order to validate the CFD model. Pressure drops predicted by the simulations at different particle sizes and initial static bed height were in good agreement with experimental measurements at superficial gas velocity higher than the minimum fluidization velocity. Simulation results also indicated that small bubbles were produced at the bottom of the bed. These bubbles collided with each other as they moved upwards forming larger bubbles. Furthermore, this comparison showed that the model can predict hydrodynamic behavior of gas solid fluidized bed chambers reasonably well.

  4. Mitigation technologies for hydrogen storage systems based on reactive solids.

    SciTech Connect

    Kanouff, Michael P.; Dedrick, Daniel E.; Khalil, Y. F.; Pratt, Joseph William; Reeder, Craig; Cordaro, Joseph Gabriel

    2010-11-01

    This paper describes mitigation technologies that are intended to enable the deployment of advanced hydrogen storage technologies for early market and automotive fuel cell applications. Solid State hydrogen storage materials provide an opportunity for a dramatic increase in gravimetric and volumetric energy storage density. Systems and technologies based on the advanced materials have been developed and demonstrated within the laboratory [1,2], and in some cases, integrated with fuel cell systems. The R&D community will continue to develop these technologies for an ever increasing market of fuel cell technologies, including, forklift, light-cart, APU, and automotive systems. Solid state hydrogen storage materials are designed and developed to readily release, and in some cases, react with diatomic hydrogen. This favorable behavior is often accomplished with morphology design (high surface area), catalytic additives (titanium for example), and high purity metals (such as aluminum, Lanthanum, or alkali metals). These favorable hydrogen reaction characteristics often have a related, yet less-desirable effect: sensitivity and reactivity during exposure to ambient contamination and out-of-design environmental conditions. Accident scenarios resulting in this less-favorable reaction behavior must also be managed by the system developer to enable technology deployment and market acceptance. Two important accident scenarios are identified through hazards and risk analysis methods. The first involves a breach in plumbing or tank resulting from a collision. The possible consequence of this scenario is analyzed though experimentally based chemical kinetic and transport modeling of metal hydride beds. An advancing reaction front between the metal hydride and ambient air is observed to proceed throughout the bed. This exothermic reaction front can result in loss of structural integrity of the containing vessel and lead to un-favorable overheating events. The second important

  5. Measurements of the negative ion density in reactive gas plasmas

    NASA Astrophysics Data System (ADS)

    Shindo, Masako; Ueda, Yoko; Kawai, Yoshinobu; Ishii, Nobuo

    1999-11-01

    The reactive gas plasmas, such as C_4F_8, SiH4 and SF6 gas plasmas, have been widely used in plasma etching or CVD. The radicals and ions species in these plasmas have been reported in a lot of study. However, the negative ion density has not been measured quantitatively, since the conventional Langmuir probe cannot be used due to film depositions on its surface. In this study, the negative ion density in the reactive gas plasmas was measured with a heated Langmuir probe and an 8-mm microwave interferometer as a function of gas flow rate and radial position. Furthermore, the following equation was suggested to estimate the negative ion density only from the probe measurements: fracI_+(X )I_+(Ar) = [ fracI_-(X)I_-(Ar) + fracN_-(X )N_+(Ar)√fracT_e(X)T_e(Ar) ] √fracM_+(Ar)M_+(X), where N- denotes negative ion density and the other characteristics represent the conventional ones. The positive ion mass M+ should be assumed properly. It was confirmed that this equation provides the negative ion density both in the magnetized plasmas, such as ECR plasmas, and non-magnetized plasmas.

  6. Gas-phase reactivity of novel Ziegler-Natta catalysts

    SciTech Connect

    Alameddin, N.G.; Eyler, J.R.; Richardson, D.E.

    1994-12-31

    The discovery of soluble group 4 metallocene-based catalysts for the Ziegler-Natta polymerization of olefins has generated considerable interest in the field. In particular, the versatility of the Cp (cyclopentadienyl) ligand has made practical the development of a host of novel catalysts which can produce extremely regiospecific and stereospecific polymers. With further improvements in activity and stability, these catalysts are expected to make a major impact on the polymerization industry. Presently, catalyst design is driven by using the steric and electronic properties of the ligands to guide the monomer addition. However, since these ligands have considerable steric bulk, the choice of solvent will significantly affect their catalytic properties. Therefore, an understanding of the intrinsic reactivity of these catalysts independent of a solvent is one of the first steps to building a better catalyst. The work in progress is a study of the reactivity of zircononene-based catalysts in the gas phase. The authors are in the process of studying the rates of reaction of a series of these compounds with H{sub 2} as well as with a number of olefins. In the gas phase, the intrinsic reactivity of these catalysts is revealed and their chemistry can be studied in detail.

  7. Visualizing Gas Adsorption on Porous Solids: Four Simple, Effective Demonstrations

    ERIC Educational Resources Information Center

    Cheung, Ocean

    2014-01-01

    Gas adsorption on porous solids is a topic that is often discussed in an undergraduate chemistry or chemical engineering course. The idea of porosity and gas adsorption on a porous solid is usually discussed with adsorption isotherms recorded using commercially available equipment. This discussion can be rather abstract and can be difficult for…

  8. Gas-potentiometric method with solid electrolyte oxygen sensors for the investigation of combustion.

    PubMed

    Lorenz, H; Tittmann, K; Sitzki, L; Trippler, S; Rau, H

    1996-09-01

    Gas-potentiometric analysis using oxide-ion-conducting solid electrolytes as stabilized zirconia is a worthwhile method for the investigation of combustion processes. In the case of gas and oil flames specific parameters like the flame contour, the degree of burn-out and mixing can be determined and information about flame turbulence and reaction density can be gained from the temporal resolution of the sensor signal. Measurements carried out with solid electrolyte oxygen sensors in a fluidized bed show that combustion processes of solid fuels are also analyzable. This analysis results in fuel specific burn-out curves finally leading to burn-out times and to parameters of a macrokinetics of the combustion process as well as to ideas about the burn-out mechanism. From the resulting constants of the effective reaction rate a reactivity relative to bituminous coal coke can be given for any solid fuel. PMID:15048356

  9. Method for generating a highly reactive plasma for exhaust gas aftertreatment and enhanced catalyst reactivity

    DOEpatents

    Whealton, John H.; Hanson, Gregory R.; Storey, John M.; Raridon, Richard J.; Armfield, Jeffrey S.; Bigelow, Timothy S.; Graves, Ronald L.

    2002-01-01

    A method for non-thermal plasma aftertreatment of exhaust gases the method comprising the steps of providing short risetime, high frequency, high power bursts of low-duty factor microwaves sufficient to generate a plasma discharge and passing a gas to be treated through the discharge so as to cause dissociative reduction of the exhaust gases and enhanced catalyst reactivity through application of the pulsed microwave fields directly to the catalyst material sufficient to cause a polarizability catastrophe and enhanced heating of the metal crystallite particles of the catalyst, and in the presence or absence of the plasma. The invention also includes a reactor for aftertreatment of exhaust gases.

  10. Reactive oxygen species production and discontinuous gas exchange in insects

    PubMed Central

    Boardman, Leigh; Terblanche, John S.; Hetz, Stefan K.; Marais, Elrike; Chown, Steven L.

    2012-01-01

    While biochemical mechanisms are typically used by animals to reduce oxidative damage, insects are suspected to employ a higher organizational level, discontinuous gas exchange mechanism to do so. Using a combination of real-time, flow-through respirometry and live-cell fluorescence microscopy, we show that spiracular control associated with the discontinuous gas exchange cycle (DGC) in Samia cynthia pupae is related to reactive oxygen species (ROS). Hyperoxia fails to increase mean ROS production, although minima are elevated above normoxic levels. Furthermore, a negative relationship between mean and mean ROS production indicates that higher ROS production is generally associated with lower . Our results, therefore, suggest a possible signalling role for ROS in DGC, rather than supporting the idea that DGC acts to reduce oxidative damage by regulating ROS production. PMID:21865257

  11. Reactive oxygen species production and discontinuous gas exchange in insects.

    PubMed

    Boardman, Leigh; Terblanche, John S; Hetz, Stefan K; Marais, Elrike; Chown, Steven L

    2012-03-01

    While biochemical mechanisms are typically used by animals to reduce oxidative damage, insects are suspected to employ a higher organizational level, discontinuous gas exchange mechanism to do so. Using a combination of real-time, flow-through respirometry and live-cell fluorescence microscopy, we show that spiracular control associated with the discontinuous gas exchange cycle (DGC) in Samia cynthia pupae is related to reactive oxygen species (ROS). Hyperoxia fails to increase mean ROS production, although minima are elevated above normoxic levels. Furthermore, a negative relationship between mean and mean ROS production indicates that higher ROS production is generally associated with lower . Our results, therefore, suggest a possible signalling role for ROS in DGC, rather than supporting the idea that DGC acts to reduce oxidative damage by regulating ROS production. PMID:21865257

  12. Etching radical controlled gas chopped deep reactive ion etching

    DOEpatents

    Olynick, Deidre; Rangelow, Ivo; Chao, Weilun

    2013-10-01

    A method for silicon micromachining techniques based on high aspect ratio reactive ion etching with gas chopping has been developed capable of producing essentially scallop-free, smooth, sidewall surfaces. The method uses precisely controlled, alternated (or chopped) gas flow of the etching and deposition gas precursors to produce a controllable sidewall passivation capable of high anisotropy. The dynamic control of sidewall passivation is achieved by carefully controlling fluorine radical presence with moderator gasses, such as CH.sub.4 and controlling the passivation rate and stoichiometry using a CF.sub.2 source. In this manner, sidewall polymer deposition thicknesses are very well controlled, reducing sidewall ripples to very small levels. By combining inductively coupled plasmas with controlled fluorocarbon chemistry, good control of vertical structures with very low sidewall roughness may be produced. Results show silicon features with an aspect ratio of 20:1 for 10 nm features with applicability to nano-applications in the sub-50 nm regime. By comparison, previous traditional gas chopping techniques have produced rippled or scalloped sidewalls in a range of 50 to 100 nm roughness.

  13. 40 CFR Appendix A to Subpart Pppp... - Determination of Weight Volatile Matter Content and Weight Solids Content of Reactive Adhesives

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... Content and Weight Solids Content of Reactive Adhesives A Appendix A to Subpart PPPP of Part 63 Protection... Reactive Adhesives 1.0Applicability and Principle 1.1Applicability: This method applies to the... reactive adhesives. Reactive adhesives are composed, in large part, of monomers that react during...

  14. 40 CFR Appendix A to Subpart Pppp... - Determination of Weight Volatile Matter Content and Weight Solids Content of Reactive Adhesives

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Content and Weight Solids Content of Reactive Adhesives A Appendix A to Subpart PPPP of Part 63 Protection... Reactive Adhesives 1.0Applicability and Principle 1.1Applicability: This method applies to the... reactive adhesives. Reactive adhesives are composed, in large part, of monomers that react during...

  15. Pore structure and reactivity changes in hot coal gas desulfurization sorbents. Final report, September 1987--January 1991

    SciTech Connect

    Sotirchos, S.V.

    1991-05-01

    The primary objective of the project was the investigation of the pore structure and reactivity changes occurring in metal/metal oxide sorbents used for desulfurization of hot coal gas during sulfidation and regeneration, with particular emphasis placed on the effects of these changes on the sorptive capacity and efficiency of the sorbents. Commercially available zinc oxide sorbents were used as model solids in our experimental investigation of the sulfidation and regeneration processes.

  16. MRI mapping of cerebrovascular reactivity via gas inhalation challenges.

    PubMed

    Lu, Hanzhang; Liu, Peiying; Yezhuvath, Uma; Cheng, Yamei; Marshall, Olga; Ge, Yulin

    2014-01-01

    The brain is a spatially heterogeneous and temporally dynamic organ, with different regions requiring different amount of blood supply at different time. Therefore, the ability of the blood vessels to dilate or constrict, known as Cerebral-Vascular-Reactivity (CVR), represents an important domain of vascular function. An imaging marker representing this dynamic property will provide new information of cerebral vessels under normal and diseased conditions such as stroke, dementia, atherosclerosis, small vessel diseases, brain tumor, traumatic brain injury, and multiple sclerosis. In order to perform this type of measurement in humans, it is necessary to deliver a vasoactive stimulus such as CO2 and/or O2 gas mixture while quantitative brain magnetic resonance images (MRI) are being collected. In this work, we presented a MR compatible gas-delivery system and the associated protocol that allow the delivery of special gas mixtures (e.g., O2, CO2, N2, and their combinations) while the subject is lying inside the MRI scanner. This system is relatively simple, economical, and easy to use, and the experimental protocol allows accurate mapping of CVR in both healthy volunteers and patients with neurological disorders. This approach has the potential to be used in broad clinical applications and in better understanding of brain vascular pathophysiology. In the video, we demonstrate how to set up the system inside an MRI suite and how to perform a complete experiment on a human participant. PMID:25549106

  17. MRI Mapping of Cerebrovascular Reactivity via Gas Inhalation Challenges

    PubMed Central

    Lu, Hanzhang; Liu, Peiying; Yezhuvath, Uma; Cheng, Yamei; Marshall, Olga; Ge, Yulin

    2014-01-01

    The brain is a spatially heterogeneous and temporally dynamic organ, with different regions requiring different amount of blood supply at different time. Therefore, the ability of the blood vessels to dilate or constrict, known as Cerebral-Vascular-Reactivity (CVR), represents an important domain of vascular function. An imaging marker representing this dynamic property will provide new information of cerebral vessels under normal and diseased conditions such as stroke, dementia, atherosclerosis, small vessel diseases, brain tumor, traumatic brain injury, and multiple sclerosis. In order to perform this type of measurement in humans, it is necessary to deliver a vasoactive stimulus such as CO2 and/or O2 gas mixture while quantitative brain magnetic resonance images (MRI) are being collected. In this work, we presented a MR compatible gas-delivery system and the associated protocol that allow the delivery of special gas mixtures (e.g., O2, CO2, N2, and their combinations) while the subject is lying inside the MRI scanner. This system is relatively simple, economical, and easy to use, and the experimental protocol allows accurate mapping of CVR in both healthy volunteers and patients with neurological disorders. This approach has the potential to be used in broad clinical applications and in better understanding of brain vascular pathophysiology. In the video, we demonstrate how to set up the system inside an MRI suite and how to perform a complete experiment on a human participant. PMID:25549106

  18. Disposal pathway for tritiated reactive metals and tritiated hydrogen gas

    SciTech Connect

    Antoniazzi, A. B.; Morton, C. S.

    2008-07-15

    Kinectrics and its predecessor company Ontario Hydro Research Div. (a division of Ontario Hydro) had a fully operational tritium laboratory on site since the early 1980's. During those years numerous projects and experiments were undertaken using hydrogen and tritium for the most part. Metals with an affinity for hydrogen are commonly employed as scavengers of hydrogenic gases from process streams or as hydrogen storage mediums. The two most common of these metals used were depleted uranium and a zirconium-iron alloy (SAES St198). The break-up of Ontario Hydro through deregulation activities resulted in the building of a new, smaller, tritium laboratory and the decommissioning of the original tritium laboratory. Decommissioning activities resulted in the need to safely dispose of these reactive metals. Disposal of these metals is not straight forward. For safe, long term, disposal it has been decided to oxidize the metals in a controlled fashion. The oxidized beds, containing the metals, will be sent to a radioactive waste site for long term storage. Options for disposal of tritiated hydrogen gas are presented and discussed. This paper provides a disposal pathway for tritiated reactive metals and hydrogen thereby closing the loop in tritium handling. (authors)

  19. Testing and evaluation of solid lubricants for gas bearings

    NASA Technical Reports Server (NTRS)

    Albrecht, P. R.; Fischer, W. H.

    1974-01-01

    The testing and results of testing solid film lubricants for gas lubricated bearing applications are reported. The tests simulated operational hazards of tilting pad gas bearings. The presence of a low coefficient of friction and the endurance of the solid film lubricant were the criteria for judging superior performance. All solid lubricants tested were applied to a plasma sprayed chrome oxide surface. Molybdenum disulfide and graphite fluoride were the solid lubricants tested; other test parameters included the method of application of the solid lubricant and the surface finish of the plasma sprayed coating. In general, the application of a solid film lubricant was found to significantly improve the coefficient of friction of the rubbing surfaces.

  20. Reactive gas atomization processing for Fe-based ODS alloys

    SciTech Connect

    Rieken, Joel R; Anderson, Iver E; Kramer, Matthew J; Odette, G R; Stergar, E; Haney, E

    2011-08-24

    Gas atomization reaction synthesis was employed as a simplified method for processing oxide dispersion forming precursor Fe-based powders (e.g., Fe–Cr–Y–Hf). During this process a reactive atomization gas (i.e., Ar–O2) was used to oxidize the powder surfaces during primary break-up and rapid solidification of the molten alloy. This resulted in envelopment of the powders by an ultra-thin (t < 50 nm) metastable Cr-enriched oxide shell that was used as a vehicle to transport oxygen into the consolidated microstructure. Subsequent elevated temperature heat treatment promoted thermodynamically driven oxygen exchange reactions between trapped films of Cr-enriched oxide and internal (Y, Hf)-enriched intermetallic precipitates, resulting in highly stable nano-metric mixed oxide dispersoids (i.e., Y–Hf–O) that were identified with X-ray diffraction. Transmission electron microscopy and atom probe tomography results also revealed that the size and distribution of the dispersoids were found to depend strongly on the original rapidly solidified microstructure. To exploit this, several oxide dispersion strengthened microstructures were engineered from different powder particle size ranges, illustrating microstructural control as a function of particle solidification rate. Additionally, preliminary thermal–mechanical processing was used to develop a fine scale dislocation substructure for ultimate strengthening of the alloy.

  1. Hybrid propulsion based on fluid-controlled solid gas generators

    NASA Technical Reports Server (NTRS)

    Cohen, Norman S.; Strand, Leon D.

    1993-01-01

    The use of fuel-rich solid (gas generator-type) propellants for hybrid propulsion affords some design and utilization efficiency advantages. Both forward and aft liquid injection control concepts are evaluated from the operational standpoints of ballistics, throttling, stability and extinguishment. Steady-state and non-steady ballistics analyses are employed for this evaluation. Stability of solid motor operation is enhanced by fluid injection with adequate injector pressure drop. Efficient throttling and reliable extinguishment are attained through a combination of solid propellant combustion tailoring, grain design, control valves and sensors. Initial results from a laboratory-scale slab combustor, combining a gas generator propellant with gaseous oxygen injection, are also presented.

  2. Reactive Transport Modeling of Acid Gas Generation and Condensation

    SciTech Connect

    G. Zhahg; N. Spycher; E. Sonnenthal; C. Steefel

    2005-01-25

    Pulvirenti et al. (2004) recently conducted a laboratory evaporation/condensation experiment on a synthetic solution of primarily calcium chloride. This solution represents one potential type of evaporated pore water at Yucca Mountain, Nevada, a site proposed for geologic storage of high-level nuclear waste. These authors reported that boiling this solution to near dryness (a concentration factor >75,000 relative to actual pore waters) leads to the generation of acid condensate (pH 4.5) presumably due to volatilization of HCl (and minor HF and/or HNO{sub 3}). To investigate the various processes taking place, including boiling, gas transport, and condensation, their experiment was simulated by modifying an existing multicomponent and multiphase reactive transport code (TOUGHREACT). This code was extended with a Pitzer ion-interaction model to deal with high ionic strength. The model of the experiment was set-up to capture the observed increase in boiling temperature (143 C at {approx}1 bar) resulting from high concentrations of dissolved salts (up to 8 m CaCl{sub 2}). The computed HCI fugacity ({approx} 10{sup -4} bars) generated by boiling under these conditions is not sufficient to lower the pH of the condensate (cooled to 80 and 25 C) down to observed values unless the H{sub 2}O mass fraction in gas is reduced below {approx}10%. This is because the condensate becomes progressively diluted by H{sub 2}O gas condensation. However, when the system is modeled to remove water vapor, the computed pH of instantaneous condensates decreases to {approx}1.7, consistent with the experiment (Figure 1). The results also show that the HCl fugacity increases, and calcite, gypsum, sylvite, halite, MgCl{sub 2}4H{sub 2}O and CaCl{sub 2} precipitate sequentially with increasing concentration factors.

  3. Process of preparing nitrogen trifluoride by gas-solid reaction

    SciTech Connect

    Aramaki, M.; Kobayashi, Y.; Nakamura, T.; Nakano, H.; Suenaga, T.

    1985-09-24

    NF3 is prepared with good yields by reaction between fluorine gas and an ammonium complex of a metal fluoride, such as (NH4)3AIF6, in solid phase. The metal flouride ammonium complex may be one additionally containing an alkali metal, such as (NH4)2NaAIF6. The gas-solid reaction is carried out preferably at temperatures above 80 C. and at relatively low partial pressures of fluorine in the gas phase of the reaction system, so that the reaction is easy to control.

  4. Reactivity and Characterization of Solid State Hydrodesulfurization Catalysts.

    NASA Astrophysics Data System (ADS)

    Lindner, James Henry

    1990-01-01

    The identification of the phase responsible for hydrodesulfurization (HDS) activity has been the subject of extensive research. In this study, model solid state catalysts prepared from elemental starting materials were synthesized, characterized, and then used to desulfurize thiophene at temperatures ranging from 200-400 ^circC and a pressure of one atmosphere. The results of this work indicate that an increased HDS activity can be correlated with the presence of a poorly crystalline molybdenum sulfide-like phase detected by XRD, HREM, or AEM. The formation of this sulfur-deficient, non-stoichiometric phase could be accomplished by either removing sulfur directly from the catalyst synthesis mixture to yield a non-stoichiometric MoS_{ rm 2-x} moiety, or by introducing a transition metal promoter such as Fe, Co, Ni, or Cu into the system. The promoter atoms induced structural changes in the molybdenum sulfide edge planes by effectively scavenging sulfur during catalyst synthesis to form promoter sulfide species, which enhanced the formation of a non-stoichiometric, highly active molybdenum sulfide. This morphological effect was the primary function of the promoter in this system. All model catalysts displayed similar structure in the (0002) basal plane of MoS_2; however, only the catalytically active samples showed a high concentration of defects and disorder in the (1010), (1011), and (1012) edge planes. The HREM images obtained from these edge planes and their correlation with HDS activity dramatically illustrated the importance of the often-discussed edge plane structure of MoS_2 and its significance on HDS catalysis. Normalization of the HDS activities for the solid state models and a commercial catalyst with O_2 or CO chemisorption uptakes suggested that a similarity may exist between the catalytically active sites of these materials. In-situ XPS revealed that increasing promoter atom concentrations resulted in a more complete reduction of the promoter atom; but

  5. Cyclodextrin-Based Solid-Gas Clathrates.

    PubMed

    Pereva, Stiliana; Himitliiska, Tsveta; Spassov, Tony; Stoyanov, Simeon D; Arnaudov, Luben N; Dudev, Todor

    2015-07-29

    "Cyclodextrin-gas" clathrates were obtained by crystallization from water solution of α-, β-, and γ-cyclodextrins (CDs) under pressure of the gas to be entrapped into the CD molecules. When the pressure is released, these clathrates are stable at ambient conditions and dissociate at elevated temperature, which makes them interesting for various applications as foam boosters in food and other industries. It was found that under these conditions α-CD forms clathrates with all of the gases used in this study (N2, N2O, CO2, Ar), whereas β- and γ-CDs can form clathrates only with N2. The concentration of the cyclodextrin and the temperature and pressure of the gas were varied for achieving higher clathrate yield and larger amount of embedded gas. Highest values of about 2 wt % were found for α-CD-N2O, as it releases in the temperature range of 40-60 °C. PMID:26132981

  6. CO2 sequestration using waste concrete and anorthosite tailings by direct mineral carbonation in gas-solid-liquid and gas-solid routes.

    PubMed

    Ben Ghacham, Alia; Cecchi, Emmanuelle; Pasquier, Louis-César; Blais, Jean-François; Mercier, Guy

    2015-11-01

    Mineral carbonation (MC) represents a promising alternative for sequestering CO2. In this work, the CO2 sequestration capacity of the available calcium-bearing materials waste concrete and anorthosite tailings is assessed in gas-solid-liquid and gas-solid routes using 18.2% flue CO2 gas. The objective is to screen for a better potential residue and phase route and as the ultimate purpose to develop a cost-effective process. The results indicate the possibility of removing 66% from inlet CO2 using waste concrete for the aqueous route. However, the results that were obtained with the carbonation of anorthosite were less significant, with 34% as the maximal percentage of CO2 removal. The difference in terms of reactivity could be explained by the accessibility to calcium. In fact, anorthosite presents a framework structure wherein the calcium is trapped, which could slow the calcium dissolution into the aqueous phase compared to the concrete sample, where calcium can more easily leach. In the other part of the study concerning gas-solid carbonation, the results of CO2 removal did not exceed 15%, which is not economically interesting for scaling up the process. The results obtained with waste concrete samples in aqueous phase are interesting. In fact, 34.6% of the introduced CO2 is converted into carbonate after 15 min of contact with the gas without chemical additives and at a relatively low gas pressure. Research on the optimization of the aqueous process using waste concrete should be performed to enhance the reaction rate and to develop a cost-effective process. PMID:26292776

  7. Corrosion-induced gas generation in a nuclear waste repository: Reactive geochemistry and multiphase flow effect

    SciTech Connect

    Xu, T.; Senger, R.; Finsterle, S.

    2008-10-15

    Corrosion of steel canisters, stored in a repository for spent fuel and high-level nuclear wastes, leads to the generation and accumulation of hydrogen gas in the backfilled emplacement tunnels, which may significantly affect long-term repository safety. Previous studies used H{sub 2} generation rates based on the volume of the waste or canister material and the stoichiometry of the corrosion reaction. However, iron corrosion and H{sub 2} generation rates vary with time, depending on factors such as amount of iron, water availability, water contact area, and aqueous and solid chemistry. To account for these factors and feedback mechanisms, we developed a chemistry model related to iron corrosion, coupled with two-phase (liquid and gas) flow phenomena that are driven by gas-pressure buildup associated with H{sub 2} generation and water consumption. Results indicate that by dynamically calculating H{sub 2} generation rates based on a simple model of corrosion chemistry, and by coupling this corrosion reaction with two-phase flow processes, the degree and extent of gas pressure buildup could be much smaller compared to a model that neglects the coupling between flow and reactive transport mechanisms. By considering the feedback of corrosion chemistry, the gas pressure increases initially at the canister, but later decreases and eventually returns to a stabilized pressure that is slightly higher than the background pressure. The current study focuses on corrosion under anaerobic conditions for which the coupled hydrogeochemical model was used to examine the role of selected physical parameters on the H{sub 2} gas generation and corresponding pressure buildup in a nuclear waste repository. The developed model can be applied to evaluate the effect of water and mineral chemistry of the buffer and host rock on the corrosion reaction for future site-specific studies.

  8. A generalized kinetic model for heterogeneous gas-solid reactions.

    PubMed

    Xu, Zhijie; Sun, Xin; Khaleel, Mohammad A

    2012-08-21

    We present a generalized kinetic model for gas-solid heterogeneous reactions taking place at the interface between two phases. The model studies the reaction kinetics by taking into account the reactions at the interface, as well as the transport process within the product layer. The standard unreacted shrinking core model relies on the assumption of quasi-static diffusion that results in a steady-state concentration profile of gas reactant in the product layer. By relaxing this assumption and resolving the entire problem, general solutions can be obtained for reaction kinetics, including the reaction front velocity and the conversion (volume fraction of reacted solid). The unreacted shrinking core model is shown to be accurate and in agreement with the generalized model for slow reaction (or fast diffusion), low concentration of gas reactant, and small solid size. Otherwise, a generalized kinetic model should be used. PMID:22920132

  9. A generalized kinetic model for heterogeneous gas-solid reactions

    NASA Astrophysics Data System (ADS)

    Xu, Zhijie; Sun, Xin; Khaleel, Mohammad A.

    2012-08-01

    We present a generalized kinetic model for gas-solid heterogeneous reactions taking place at the interface between two phases. The model studies the reaction kinetics by taking into account the reactions at the interface, as well as the transport process within the product layer. The standard unreacted shrinking core model relies on the assumption of quasi-static diffusion that results in a steady-state concentration profile of gas reactant in the product layer. By relaxing this assumption and resolving the entire problem, general solutions can be obtained for reaction kinetics, including the reaction front velocity and the conversion (volume fraction of reacted solid). The unreacted shrinking core model is shown to be accurate and in agreement with the generalized model for slow reaction (or fast diffusion), low concentration of gas reactant, and small solid size. Otherwise, a generalized kinetic model should be used.

  10. On the Superficial Gas Velocity in Deep Gas-Solid Fluidized Beds

    SciTech Connect

    Li, Tingwen; Grace, John; Shadle, Lawrence; Guenther, Chris

    2011-11-15

    The superficial gas velocity is one of the key parameters used to determine the flow hydrodynamics in gas–solids fluidized beds. However, the superficial velocity varies with height in practice, and there is no consistent basis for its specification. Different approaches to determine the superficial gas velocity in a deep gas–solids system are shown to cause difficulties in developing models and in comparing predictions with experimental results. In addition, the reference conditions for superficial gas velocity are important in modeling of deep gas–solids systems where there is a considerable pressure drop.

  11. SOLID GAS SUSPENSION NUCLEAR FUEL ASSEMBLY

    DOEpatents

    Schluderberg, D.C.; Ryon, J.W.

    1962-05-01

    A fuel assembly is designed for use in a gas-suspension cooled nuclear fuel reactor. The coolant fluid is an inert gas such as nitrogen or helium with particles such as carbon suspended therein. The fuel assembly is contained within an elongated pressure vessel extending down into the reactor. The fuel portion is at the lower end of the vessel and is constructed of cylindrical segments through which the coolant passes. Turbulence promotors within the passageways maintain the particles in agitation to increase its ability to transfer heat away from the outer walls. Shielding sections and alternating passageways above the fueled portion limit the escape of radiation out of the top of the vessel. (AEC)

  12. Electrochemical processes at solid electrode-electrolyte-gas interfaces

    SciTech Connect

    Youngblood, G.E.; Weber, W.J; Bates, J.L.

    1991-05-01

    Electrochemical reactions at solid electrolyte-electrode-gas interfaces are being investigated with ac impedance and dc polarization techniques using an unbonded interface cell (UIC). The UIC approach eliminates influence of sample size and interface morphology resulting from electrode-electrolyte fabrication. The electrochemical reactions of oxygen with solid electrode (La{sub 1-x}Sr{sub x}MnO{sub 3} or Pt) and solid electrolyte (0.08Y{sub 2}O{sub 3} - 0.92ZrO{sub 2}) interfaces are described. 6 refs., 4 figs., 2 tabs.

  13. Solid fuel combustion system for gas turbine engine

    DOEpatents

    Wilkes, Colin; Mongia, Hukam C.

    1993-01-01

    A solid fuel, pressurized fluidized bed combustion system for a gas turbine engine includes a carbonizer outside of the engine for gasifying coal to a low Btu fuel gas in a first fraction of compressor discharge, a pressurized fluidized bed outside of the engine for combusting the char residue from the carbonizer in a second fraction of compressor discharge to produce low temperature vitiated air, and a fuel-rich, fuel-lean staged topping combustor inside the engine in a compressed air plenum thereof. Diversion of less than 100% of compressor discharge outside the engine minimizes the expense of fabricating and maintaining conduits for transferring high pressure and high temperature gas and incorporation of the topping combustor in the compressed air plenum of the engine minimizes the expense of modifying otherwise conventional gas turbine engines for solid fuel, pressurized fluidized bed combustion.

  14. Analytical model for thermal boundary conductance and equilibrium thermal accommodation coefficient at solid/gas interfaces.

    PubMed

    Giri, Ashutosh; Hopkins, Patrick E

    2016-02-28

    We develop an analytical model for the thermal boundary conductance between a solid and a gas. By considering the thermal fluxes in the solid and the gas, we describe the transmission of energy across the solid/gas interface with diffuse mismatch theory. From the predicted thermal boundary conductances across solid/gas interfaces, the equilibrium thermal accommodation coefficient is determined and compared to predictions from molecular dynamics simulations on the model solid-gas systems. We show that our model is applicable for modeling the thermal accommodation of gases on solid surfaces at non-cryogenic temperatures and relatively strong solid-gas interactions (εsf ≳ kBT). PMID:26931716

  15. Solid phase studies and geochemical modelling of low-cost permeable reactive barriers.

    PubMed

    Bartzas, Georgios; Komnitsas, Kostas

    2010-11-15

    A continuous column experiment was carried out under dynamic flow conditions in order to study the efficiency of low-cost permeable reactive barriers (PRBs) to remove several inorganic contaminants from acidic solutions. A 50:50 w/w waste iron/sand mixture was used as candidate reactive media in order to activate precipitation and promote sorption and reduction-oxidation mechanisms. Solid phase studies of the exhausted reactive products after column shutdown, using scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD), confirmed that the principal Fe corrosion products identified in the reactive zone are amorphous iron (hydr)oxides (maghemite/magnetite and goethite), intermediate products (sulfate green rust), and amorphous metal sulfides such as amFeS and/or mackinawite. Geochemical modelling of the metal removal processes, including interactions between reactive media, heavy metal ions and sulfates, and interpretation of the ionic profiles was also carried out by using the speciation/mass transfer computer code PHREEQC-2 and the WATEQ4F database. Mineralogical characterization studies as well as geochemical modelling calculations also indicate that the effect of sulfate and silica sand on the efficiency of the reactive zone should be considered carefully during design and operation of low-cost field PRBs. PMID:20678863

  16. Hydrodynamics of semifluidization in gas-solid systems

    SciTech Connect

    Ho, T.C.; Yau, S.J.; Hopper, J.R.

    1985-01-01

    Semifluidized bed hydrodynamics, including minimum semifluidization velocity, packed bed formation and pressure drop across the bed, were studied in gas-solid fluidized beds. Experiments were carried out in beds of 0.203, 0.129 and 0.105 m I.D. Experimental parameters examined included gas velocity, semifluidized particles, static bed height and expansion ratio. Empirical and semi-empirical models were derived. The results were compared with those available in the literature.

  17. Miniature solid-state gas compressor

    DOEpatents

    Lawless, William N.; Cross, Leslie E.; Steyert, William A.

    1985-01-01

    A miniature apparatus for compressing gases is disclosed in which an elastomer disposed between two opposing electrostrictive or piezoelectric ceramic blocks, or between a single electrostrictive or piezoelectric ceramic block and a rigid surface, is caused to extrude into or recede from a channel defined adjacent to the elastomer in response to application or removal of an electric field from the blocks. Individual cells of blocks and elastomer are connected to effect a gas compression by peristaltic activation of the individual cells. The apparatus is self-valving in that the first and last cells operate as inlet and outlet valves, respectively. Preferred electrostrictive and piezoelectric ceramic materials are disclosed, and an alternative, non-peristaltic embodiment of the apparatus is described.

  18. Miniature solid-state gas compressor

    DOEpatents

    Lawless, W.N.; Cross, L.E.; Steyert, W.A.

    1985-05-07

    A miniature apparatus for compressing gases is disclosed in which an elastomer disposed between two opposing electrostrictive or piezoelectric ceramic blocks, or between a single electrostrictive or piezoelectric ceramic block and a rigid surface, is caused to extrude into or recede from a channel defined adjacent to the elastomer in response to application or removal of an electric field from the blocks. Individual cells of blocks and elastomer are connected to effect a gas compression by peristaltic activation of the individual cells. The apparatus is self-valving in that the first and last cells operate as inlet and outlet valves, respectively. Preferred electrostrictive and piezoelectric ceramic materials are disclosed, and an alternative, non-peristaltic embodiment of the apparatus is described. 9 figs.

  19. Turbulence modeling of gas-solid suspension flows

    NASA Technical Reports Server (NTRS)

    Chen, C. P.

    1988-01-01

    The purpose here is to discuss and review advances in two-phase turbulent modeling techniques and their applications in various gas-solid suspension flow situations. In addition to the turbulence closures, heat transfer effect, particle dispersion and wall effects are partially covered.

  20. An adhesion criterion in the gas solid interface

    NASA Technical Reports Server (NTRS)

    George, M. C.

    1973-01-01

    A theoretical model is developed to establish an adhesion criterion for the interaction of a gas atom or molecule with a nonmetallic surface. As a first approximation a linear lattice mass points of the solid surface is considered and the classical lattice dynamical model is used.

  1. Numerical Simulation of Gas-Solid Interfaces with Large Deformations

    SciTech Connect

    Vorobiev, O.Y.; Lomov, I.N.

    2000-02-01

    A method of treatment of multimaterial interfaces on Eulerian grids is developed which works well for mixtures of materials with diverse compressibilities and shear moduli. This makes it possible to use this method not only for problems of gas dynamics and solid mechanics but also to model fluid-structure interaction problems.

  2. Modeling of fault reactivation and induced seismicity during hydraulic fracturing of shale-gas reservoirs

    EPA Science Inventory

    We have conducted numerical simulation studies to assess the potential for injection-induced fault reactivation and notable seismic events associated with shale-gas hydraulic fracturing operations. The modeling is generally tuned toward conditions usually encountered in the Marce...

  3. Bulk-density distributions of solids in the freeboard of a gas-solid fluidized bed

    SciTech Connect

    Shen, B.C.; Fan, L.T.; Walawender, W.P.

    1995-05-01

    The freeboard region above the bubbling zone of a gas-solid fluidized bed provides the space not only for the disengagement of particles but also for additional contact and reaction between the particles and gas. The flow pattern and behavior of particles as well as their bulk-density distribution in the freeboard have a significant impact on the efficiency of fluidization. The results of numerous previous experimental studies indicate that the bulk density of solids essentially decreases exponentially as a function of the height of the freeboard. In the present work, this distribution has been obtained by first derived the Fokker-Planck equation from the linearized equation of motion of a single particle and then transforming this Fokker-Planck equation into that for the bulk-density distribution of solids. Its simplification to the one-dimensional case readily gives rise to an exponential distribution and agrees well with the available experimental data.

  4. Transport coefficients of solid particles immersed in a viscous gas.

    PubMed

    Garzó, Vicente; Fullmer, William D; Hrenya, Christine M; Yin, Xiaolong

    2016-01-01

    Transport properties of a suspension of solid particles in a viscous gas are studied. The dissipation in such systems arises from two sources: inelasticity in particle collisions and viscous dissipation due to the effect of the gas phase on the particles. Here we consider a simplified case in which the mean relative velocity between the gas and solid phases is taken to be zero, such that "thermal drag" is the only remaining gas-solid interaction. Unlike the previous, more general, treatment of the drag force [Garzó et al., J. Fluid Mech. 712, 129 (2012)]JFLSA70022-112010.1017/jfm.2012.404, here we take into account contributions to the (scaled) transport coefficients η^{*} (shear viscosity), κ^{*} (thermal conductivity), and μ^{*} (Dufour-like coefficient) coming from the temperature dependence of the (dimensionless) friction coefficient γ^{*} characterizing the amplitude of the drag force. At moderate densities, the thermal drag model (which is based on the Enskog kinetic equation) is solved by means of the Chapman-Enskog method and the Navier-Stokes transport coefficients are determined in terms of the coefficient of restitution, the solid volume fraction, and the friction coefficient. The results indicate that the effect of the gas phase on η^{*} and μ^{*} is non-negligible (especially in the case of relatively dilute systems) while the form of κ^{*} is the same as the one obtained in the dry granular limit. Finally, as an application of these results, a linear stability analysis of the hydrodynamic equations is carried out to analyze the conditions for stability of the homogeneous cooling state. A comparison with direct numerical simulations shows a good agreement for conditions of practical interest. PMID:26871141

  5. Transport coefficients of solid particles immersed in a viscous gas

    NASA Astrophysics Data System (ADS)

    Garzó, Vicente; Fullmer, William D.; Hrenya, Christine M.; Yin, Xiaolong

    2016-01-01

    Transport properties of a suspension of solid particles in a viscous gas are studied. The dissipation in such systems arises from two sources: inelasticity in particle collisions and viscous dissipation due to the effect of the gas phase on the particles. Here we consider a simplified case in which the mean relative velocity between the gas and solid phases is taken to be zero, such that "thermal drag" is the only remaining gas-solid interaction. Unlike the previous, more general, treatment of the drag force [Garzó et al., J. Fluid Mech. 712, 129 (2012)], 10.1017/jfm.2012.404, here we take into account contributions to the (scaled) transport coefficients η* (shear viscosity), κ* (thermal conductivity), and μ* (Dufour-like coefficient) coming from the temperature dependence of the (dimensionless) friction coefficient γ* characterizing the amplitude of the drag force. At moderate densities, the thermal drag model (which is based on the Enskog kinetic equation) is solved by means of the Chapman-Enskog method and the Navier-Stokes transport coefficients are determined in terms of the coefficient of restitution, the solid volume fraction, and the friction coefficient. The results indicate that the effect of the gas phase on η* and μ* is non-negligible (especially in the case of relatively dilute systems) while the form of κ* is the same as the one obtained in the dry granular limit. Finally, as an application of these results, a linear stability analysis of the hydrodynamic equations is carried out to analyze the conditions for stability of the homogeneous cooling state. A comparison with direct numerical simulations shows a good agreement for conditions of practical interest.

  6. Thermal chemical-mechanical reactive flow model of shock initiation in solid explosives

    SciTech Connect

    Nicholls, A L., III; Tarver, C M

    1998-08-26

    The three dimensional Arbitrary Lagrange Eulerian hydrodynamic computer code ALE3D with fully coupled thermal-chemical-mechanical material models provides the framework for the development of a physically realistic model of shock initiation and detonation of solid explosives. The processes of hot spot formation during shock compression, subsequent ignition of reaction or failure to react, growth of reaction in individual hot spots, and coalescence of reacting hot spots during the transition to detonation can now be modeled using Arrhenius chemical kinetic rate laws and heat transfer to propagate the reactive flow. This paper discusses the growth rates of reacting hot spots in HMX and TATB and their coalescence during shock to detonation transition. Hot spot deflagration rates are found to be fast enough to consume explosive particles less than 10 mm in diameter during typical shock duration times, but larger particles must fragment and create more reactive surface area in order to be rapidly consumed.

  7. Effects of various reactive gas atmospheres on the properties of bio-oil using microwave pyrolysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Fast pyrolysis of lignocellulosic biomass produces organic liquids (bio-oil), bio-char, water, and non-condensable gases. The non-condensable gas component typically contains syngas (H2, CO and CO2) as well as small hydrocarbons (CH4, C2H6, and C3H8). Tail Gas Reactive Pyrolysis (TGRP), a patent p...

  8. Gas chromatograph-mass spectrometer (GC/MS) system for quantitative analysis of reactive chemical compounds

    DOEpatents

    Grindstaff, Quirinus G.

    1992-01-01

    Described is a new gas chromatograph-mass spectrometer (GC/MS) system and method for quantitative analysis of reactive chemical compounds. All components of such a GC/MS system external to the oven of the gas chromatograph are programmably temperature controlled to operate at a volatilization temperature specific to the compound(s) sought to be separated and measured.

  9. Reactive transport in a partially molten system with binary solid solution

    NASA Astrophysics Data System (ADS)

    Jordan, Jacob S.; Hesse, Marc A.

    2015-12-01

    Melt extraction from the Earth's mantle through high-porosity channels is required to explain the composition of the oceanic crust. Feedbacks from reactive melt transport are thought to localize melt into a network of high-porosity channels. Recent studies invoke lithological heterogeneities in the Earth's mantle to seed the localization of partial melts. Therefore, it is necessary to understand the reaction fronts that form as melt flows across the lithological interface between the heterogeneity and the ambient mantle. Here we present a chromatographic analysis of reactive melt transport across lithological boundaries, using the theory of hyperbolic conservation laws. This is an extension of linear trace element chromatography to the coupling of major elements and energy transport. Our analysis allows the prediction of the nonlinear feedbacks that arise in reactive melt transport due to changes in porosity. This study considers the special case of a partially molten porous medium with binary solid solution. As melt traverses a lithological contact, binary solid solution leads to the formation of a reacted zone between an advancing reaction front and the initial contact. The analysis also shows that the behavior of a fertile heterogeneity depends on its absolute concentration, in addition to compositional differences between itself and the refractory background. We present a regime diagram that predicts if melt emanating from a fertile heterogeneity localizes into high-porosity channels or develops a zero porosity shell. The theoretical framework presented here provides a useful tool for understanding nonlinear feedbacks in reactive melt transport, because it can be extended to more complex and realistic phase behaviors.

  10. Reactive Species Processes in Plasma-, Gas-, and Liquid-Phase

    NASA Astrophysics Data System (ADS)

    Reuter, Stephan; Winter, Joern; Hammer, Malte; Schmidt-Bleker, Ansgar; Iseni, Sylvain; Tresp, Helena; Dünnbier, Mario; Masur, Kai; Wende, Kristian; Weltmann, Klaus-Dieter

    2013-09-01

    Especially for the field of plasma medicine, plasmas interacting with liquids are of great interest for environmental, chemical, and biomedical applications. In this work we present optical diagnostics on atmospheric pressure plasma jets interacting with liquids. Combining the diagnostic results with numerical simulations yields an understanding of fundamental processes such as air species diffusion into the jet effluents or the influence on humidity. Especially for plasma treatment of physiological liquids in ambient air, atmospheric species play a key role. To achieve a desired reactive component output, the generation processes from these ambient air species are controlled. Plasma jets are characterized by planar laser induced fluorescence spectroscopy, by absorption and emission spectroscopy, and by flow simulations. With the gained knowledge we are able to tailor the reactive component composition and to influence plasma jet-liquid interaction. We show that reactive species generation within plasma treated liquid can be tuned and apply the findings to biological cells to investigate the effect of reactive oxygen and nitrogen species (RONS). The plasma treated liquids are investigated regarding their pH value, OH radicals, nitrate and nitrite, and H2O2 content. From the tailored plasma treatment a significant insight into the relevant transport processes in plasma treatment of liquids has been gained. Support by the German BMBF 03Z2DN11&12 is acknowledged.

  11. Space Shuttle Solid Rocket Nozzle Joint 2 Gas Path Study

    NASA Technical Reports Server (NTRS)

    Lui, R. C.; Hyer, R. L.

    1999-01-01

    Each Space Shuttle solid rocket nozzle contains five joints. By design, each nozzle joint utilizes room-temperature vulcanized (RTV) rubber as a thermal barrier to protect the nozzle metal parts and O-rings from heat degradation due to motor combustion gas. Typically, combustion gas does not penetrate through the RTV in nozzle Joints. However, Joint currently experiences gas penetration through the RTV over 90 percent of the time. The occurrence of Joint gas paths is a very complex phenomenon with several known contributors such as the unique geometry of the joint, motor pressure, nozzle vectoring, manufacturing induced RTV voids. RTV material capability, and joint skip (relative radial displacement of joint components). The occurrence of Joint gas paths appears to be a combination of these causes. To better understand the causes of gas paths in Joint, the circumferential locations of gas paths in the RTV were identified and correlated with nozzle vectoring, RTV closeour locations (where the RTV backfill is completed), and X-ray low-density. anomaly (LDA) indications. Results that no specific cause was determined.

  12. Gas-solid flow characteristics in high-density CFB

    NASA Astrophysics Data System (ADS)

    Wang, Xue-yao; Fan, Bao-guo; Wang, Sheng-dian; Xu, Xiang; Xiao, Yun-han

    2012-08-01

    The gas-solid flow characteristics in the riser of a high density CFB of square (0.27 m×0.27 m×10.4 m) or circular ( ϕ 0.187m×10.4 m) cross section, using Geldart B particles (quartz sand), was investigated experimentally. The influence of riser structure on the hydrodynamic behaviors of a high-density circulating fluidized bed was investigated. The solid circulation rate was up to 321 kg/(m2s) with the circular cross-section under the operating conditions of the main bed air velocity 12.1 m/s and loosen wind and back-feed wind flow 25.1 m3/h. Different operating conditions on realizing high density circulation was analyzed, while both solids circulation rate and particle holdup depended highly on operating conditions. The circulating gas-solid flow was accompanied by an evidently-dense character in the riser's bottom zone and became fully developed in the middle and upper zones.

  13. Gas-solid reaction-rate enhancement by pressure cycling

    NASA Astrophysics Data System (ADS)

    Sohn, H. Y.; Aboukheshem, M. B.

    1992-06-01

    An experimental study and mathematical modeling of the effects of external pressure cycling on gas-solid reactions have been conducted using the reduction of nickel oxide pellets by hy-drogen. Experiments were carried out in two phases: In the first phase, the intrinsic kinetic parameters were measured, and in the second phase, the gas-solid reaction was carried out under a constant or cycling external pressure. The effects of the frequency and amplitude of pressure cycling were studied at various reaction conditions. Pressure cycling substantially increases the overall rate of the reaction. A mathematical model was developed from the first principles to establish the extent of the overall reaction-rate enhancement and subsequently to analyze the experimental observations. The calculated values from the mathematical model are in good agreement with the experimental results. The effects are most pronounced when the overall rate under a constant pressure is controlled by diffusion. Depending on the reaction condition, a very large degree of rate enhancement could be achieved. Furthermore, low-amplitude pressure waves, like acoustic waves, could significantly increase the rates of gas-solid reactions.

  14. Chemical reactivity of graphene oxide towards amines elucidated by solid-state NMR

    NASA Astrophysics Data System (ADS)

    Vacchi, Isabella A.; Spinato, Cinzia; Raya, Jésus; Bianco, Alberto; Ménard-Moyon, Cécilia

    2016-07-01

    Graphene oxide (GO) is an attractive nanomaterial for many applications. Controlling the functionalization of GO is essential for the design of graphene-based conjugates with novel properties. But, the chemical composition of GO has not been fully elucidated yet. Due to the high reactivity of the oxygenated moieties, mainly epoxy, hydroxyl and carboxyl groups, several derivatization reactions may occur concomitantly. The reactivity of GO with amine derivatives has been exploited in the literature to design graphene-based conjugates, mainly through amidation. However, in this study we undoubtedly demonstrate using magic angle spinning (MAS) solid-state NMR that the reaction between GO and amine functions occurs via ring opening of the epoxides, and not by amidation. We also prove that there is a negligible amount of carboxylic acid groups in two GO samples obtained by a different synthesis process, hence eliminating the possibility of amidation reactions with amine derivatives. This work brings additional insights into the chemical reactivity of GO, which is fundamental to control its functionalization, and highlights the major role of MAS NMR spectroscopy for a comprehensive characterization of derivatized GO.Graphene oxide (GO) is an attractive nanomaterial for many applications. Controlling the functionalization of GO is essential for the design of graphene-based conjugates with novel properties. But, the chemical composition of GO has not been fully elucidated yet. Due to the high reactivity of the oxygenated moieties, mainly epoxy, hydroxyl and carboxyl groups, several derivatization reactions may occur concomitantly. The reactivity of GO with amine derivatives has been exploited in the literature to design graphene-based conjugates, mainly through amidation. However, in this study we undoubtedly demonstrate using magic angle spinning (MAS) solid-state NMR that the reaction between GO and amine functions occurs via ring opening of the epoxides, and not by

  15. Uncertainties in reactive uptake coefficients for solid stratospheric particles—2. Effect on ozone depletion

    NASA Astrophysics Data System (ADS)

    Carslaw, Kenneth S.; Peter, Thomas; Müller, Rolf

    Uncertainties in reactive uptake coefficients for reactions involving HCl, ClONO2 and HOCl on nitric acid trihydrate (NAT) and sulfuric acid tetrahydrate (SAT) are shown to affect modeled Arctic stratospheric ozone depletion in a photochemical box model. The main contribution to the difference arises from the reaction ClONO2 + HCl → Cl2 + HNO3 in early to mid-winter. During this period, differences in predicted HCl and ClONO2 are more than 1 ppbv for several weeks when an upper limit for solid PSC existence is assumed. Ozone depletion is greater when liquid aerosols persist through the winter compared with cases where solid particles are assumed to form.

  16. Sulfur gas emissions from stored flue gas desulfurization solids. Final report

    SciTech Connect

    Adams, D.F.; Farwell, S.O.

    1981-10-01

    The emissions of volatile, sulfur-containing compounds from the surfaces of 13 flue gas desulfurization (FGD) solids field storage sites have been characterized. The sulfur gas emissions from these storage surfaces were determined by measuring the sulfur gas enhancement of sulfur-free sweep air passing through a dynamic emission flux chamber placed over selected sampling areas. Samples of the enclosure sweep air were cryogenically concentrated in surface-deactivated Pyrex U traps. Analyses were conducted by wall-coated, open-tubular, capillary column, cryogenic, temperature-programmed gas chromatography using a sulfur-selective flame photometric detector. Several major variables associated with FGD sludge production processes were examined in relation to the measured range and variations in sulfur fluxes including: the sulfur dioxide scrubbing reagent used, sludge sulfite oxidation, unfixed or stabilized (fixed) FGD solids, and ponding or landfill storage. The composition and concentration of the measured sulfur gas emissions were found to vary with the type of solids, the effectiveness of rainwater drainage from the landfill surface, the method of impoundment, and the sulfate/sulfite ratio of the solids. The FGD solids emissions may contain hydrogen sulfide, carbonyl sulfide, dimethyl sulfide, carbon disulfide, and dimethyl disulfide in varying concentrations and ratios. In addition, up to four unidentified organo-sulfur compounds were found in the emissions from four different FGD solids. The measured, total sulfur emissions ranged from less than 0.01 to nearly 0.3 kg of sulfur per day for an equivalent 40.5 hectare (100 acre) FGD solids impoundment surface.

  17. Oscillatory burning of solid propellants including gas phase time lag.

    NASA Technical Reports Server (NTRS)

    T'Ien, J. S.

    1972-01-01

    An analysis has been performed for oscillatory burning of solid propellants including gas phase time lag. The gaseous flame is assumed to be premixed and laminar with a one-step overall chemical reaction. The propellant is assumed to decompose according to the Arrenhius Law, with no condensed phase reaction. With this model, strong gas phase resonance has been found in certain cases at the characteristic gas-phase frequencies, but the peaking of the acoustic admittance is in the direction favoring the damping of pressure waves. At still higher frequencies, moderate wave-amplifying ability was found. The limit of low frequency response obtained previously by Denison and Baum was recovered, and the limitations of the quasi-steady theory were investigated.

  18. Quantitative determination of hydrogen in solids by gas chromatography.

    PubMed

    Addach, H; Berçot, P; Wery, M; Rezrazi, M

    2004-11-19

    Processes such as electroplating or acid cleaning are notorious causes of post-processing failure through hydrogen embrittlement. So, the determination of amounts of hydrogen in metals is of great importance. An analysis method for investigation of H content in solids has been established based on hot extraction and gas chromatography system. Hot extraction in inert gas enables complete and/or partial removal of the hydrogen from the samples. A gas chromatography system is used to determine quantitatively the amount of thermally desorbed hydrogen. An investigation of the baking operating conditions is made of the hydrogen desorption rate of zinc-plated steel parts. Then, an analysis of the polarisation conditions upon chromium electroplating is given. PMID:15584242

  19. Supramolecular reactivity in the gas phase: investigating the intrinsic properties of non-covalent complexes.

    PubMed

    Cera, Luca; Schalley, Christoph A

    2014-03-21

    The high vacuum inside a mass spectrometer offers unique conditions to broaden our view on the reactivity of supramolecules. Because dynamic exchange processes between complexes are efficiently suppressed, the intrinsic and intramolecular reactivity of the complexes of interest is observed. Besides this, the significantly higher strength of non-covalent interactions in the absence of competing solvent allows processes to occur that are unable to compete in solution. The present review highlights a series of examples illustrating different aspects of supramolecular gas-phase reactivity ranging from the dissociation and formation of covalent bonds in non-covalent complexes through the reactivity in the restricted inner phase of container molecules and step-by-step mechanistic studies of organocatalytic reaction cycles to cage contraction reactions, processes induced by electron capture, and finally dynamic molecular motion within non-covalent complexes as unravelled by hydrogen-deuterium exchange processes performed in the gas phase. PMID:24435245

  20. Polar Effects Control the Gas-phase Reactivity of Charged para-Benzyne Analogs

    PubMed Central

    Wittrig, Ashley M.; Archibold, Enada F.; Sheng, Huaming; Nash, John J.; Kenttämaa, Hilkka I.

    2014-01-01

    The gas-phase reactivity of charged para-benzynes is entirely unexplored as they and/or their precursors tend to undergo ring-opening upon their generation. We report here a gas-phase reactivity study of two such benzynes, the 2,5-didehydropyridinium and 5,8-didehydroisoquinolinium cations, generated in a modified dual-linear quadrupole ion trap (DLQIT) mass spectrometer. Both biradicals were found to form diagnostic products with organic molecules, indicating the presence of two radical sites. As opposed to earlier predictions that the singlet-triplet (S-T) splitting controls the radical reactivity of such species, the 2,5-didehydropyridinium cation reacts much faster in spite of its larger S-T splitting. Calculated vertical electron affinities of the radical sites of the para-benzynes, a parameter related to the polarity of the transition states of their reactions, appears to be the most important reactivity controlling factor. PMID:25838787

  1. The equivalent electrical permittivity of gas-solid mixtures at intermediate solid volume fractions.

    SciTech Connect

    Torczynski, John Robert; Ceccio, Steven Louis; Tortora, Paul Richard

    2005-07-01

    Several mixture models are evaluated for their suitability in predicting the equivalent permittivity of dielectric particles in a dielectric medium for intermediate solid volume fractions (0.4 to 0.6). Predictions of the Maxwell, Rayleigh, Bottcher and Bruggeman models are compared to computational simulations of several arrangements of solid particles in a gas and to the experimentally determined permittivity of a static particle bed. The experiment uses spherical glass beads in air, so air and glass permittivity values (1 and 7, respectively) are used with all of the models and simulations. The experimental system used to measure the permittivity of the static particle bed and its calibration are described. The Rayleigh model is found to be suitable for predicting permittivity over the entire range of solid volume fractions (0-0.6).

  2. Pressure dependence of the melting temperature of solids - Rare-gas solids

    NASA Technical Reports Server (NTRS)

    Schlosser, Herbert; Ferrante, John

    1991-01-01

    A method presented by Schlosser et al. (1989) for analyzing the pressure dependence of experimental melting-temperature data is applied to rare-gas solids. The plots of the logarithm of the reduced melting temperature vs that of the reduced pressure are straight lines in the absence of phase transitions. The plots of the reduced melting temperatures for Ar, Kr, and Xe are shown to be approximately straight lines.

  3. Chemical reactivity of graphene oxide towards amines elucidated by solid-state NMR.

    PubMed

    Vacchi, Isabella A; Spinato, Cinzia; Raya, Jésus; Bianco, Alberto; Ménard-Moyon, Cécilia

    2016-07-14

    Graphene oxide (GO) is an attractive nanomaterial for many applications. Controlling the functionalization of GO is essential for the design of graphene-based conjugates with novel properties. But, the chemical composition of GO has not been fully elucidated yet. Due to the high reactivity of the oxygenated moieties, mainly epoxy, hydroxyl and carboxyl groups, several derivatization reactions may occur concomitantly. The reactivity of GO with amine derivatives has been exploited in the literature to design graphene-based conjugates, mainly through amidation. However, in this study we undoubtedly demonstrate using magic angle spinning (MAS) solid-state NMR that the reaction between GO and amine functions occurs via ring opening of the epoxides, and not by amidation. We also prove that there is a negligible amount of carboxylic acid groups in two GO samples obtained by a different synthesis process, hence eliminating the possibility of amidation reactions with amine derivatives. This work brings additional insights into the chemical reactivity of GO, which is fundamental to control its functionalization, and highlights the major role of MAS NMR spectroscopy for a comprehensive characterization of derivatized GO. PMID:27411370

  4. In Situ Control of Gas Flow by Modification of Gas-Solid Interactions

    NASA Astrophysics Data System (ADS)

    Seo, Dongjin; Ducker, William A.

    2013-10-01

    The boundary condition for gas flow at the solid-gas interface can be altered by in situ control of the state of a thin film adsorbed to the solid. A monolayer of ocatadecyltrichlorosilane (OTS) reversibly undergoes a meltinglike transition. When the temperature of an OTS-coated particle and plate is moved through the range of OTS “melting” temperatures, there is a change in the lubrication force between the particle and plate in 1 atm of nitrogen gas. This change is interpreted in terms of a change in the flow of gas mediated by the slip length and tangential momentum accommodation coefficient (TMAC). There is a minimum in slip length (290 nm) at 18°C, which corresponds to a maximum in TMAC (0.44). The slip length increases to 590 nm at 40°C which corresponds to a TMAC of 0.25. We attribute the decrease in TMAC with increasing temperature to a decrease in roughness of the monolayer on melting, which allows a higher fraction of specular gas reflections, thereby conserving tangential gas momentum. The importance of this work is that it demonstrates the ability to control gas flow simply by altering the interface for fixed geometry and gas properties.

  5. Slurried solid media for simultaneous water purification and carbon dioxide removal from gas mixtures

    DOEpatents

    Aines, Roger D.; Bourcier, William L.; Viani, Brian

    2013-01-29

    A slurried solid media for simultaneous water purification and carbon dioxide removal from gas mixtures includes the steps of dissolving the gas mixture and carbon dioxide in water providing a gas, carbon dioxide, water mixture; adding a porous solid media to the gas, carbon dioxide, water mixture forming a slurry of gas, carbon dioxide, water, and porous solid media; heating the slurry of gas, carbon dioxide, water, and porous solid media producing steam; and cooling the steam to produce purified water and carbon dioxide.

  6. Acoustic Probe for Solid-Gas-Liquid Suspension

    SciTech Connect

    Tavlarides, L.L.; Sangani, Ashok

    2003-09-14

    The primary objective of the research project during the first funding period was to develop an acoustic probe to measure volume percent solids in solid-liquid slurries in the presence of small amounts of gas bubbles. This problem was addressed because of the great need for a non-invasive, accurate and reliable method for solids monitoring in liquid slurries in the presence of radiolytically generated gases throughout the DOE complex. These measurements are necessary during mobilization of salts and sediments in tanks, transport of these slurries in transfer lines to processing facilities across a site, and, in some instances, during high level waste processing. Although acoustic probes have been commonly used for monitoring flows in single-phase fluids (McLeod, 1967), their application to monitor two-phase mixtures has not yet fully realized its potential. A number of investigators in recent years have therefore been involved in developing probes for measuring the volume fractions in liquid solid suspensions (Atkinson and Kytomaa, 1993; Greenwood et al., 1993; Martin et al., 1995) and in liquid-liquid suspensions (Bonnet and Tavlarides, 1987; Tavlarides and Bonnet, 1988, Yi and Tavlarides, 1990; Tsouris and Tavlarides, 1993, Tsouris et al., 1995). In particular, Atkinson and Kytomaa (1993) showed that the acoustic technique can be used to determine both the velocity and the volume fraction of solids while Martin et al. (1995) and Spelt et al. (1999) showed that the acoustic probe can also be used to obtain information on the size distribution of the particles. In a recent testing of in-line slurry monitors with radioactive slurries suspended with Pulsair Mixers (Hylton & Bayne, 1999), an acoustic probe did not compare well with other instruments most probably due to presence of entrained gases and improper acoustic frequency range of interrogation. The work of the investigators cited has established the potential of the acoustic probe for characterizing

  7. Reactivity of Mg-Al hydrotalcites in solid and delaminated forms in ammonium carbonate solutions

    NASA Astrophysics Data System (ADS)

    Stoica, Georgiana; Santiago, Marta; Abelló, Sònia; Pérez-Ramírez, Javier

    2010-10-01

    Treatment of Mg-Al hydrotalcites (LDHs, layered double hydroxides) in aqueous (NH 4) 2CO 3 at 298 K leads to composites of dawsonite, hydrotalcite, and magnesium ammonium carbonate. The mechanism and kinetics of this transformation, ultimately determining the relative amounts of these components in the composite, depend on the treatment time (from 1 h to 9 days), the Mg/Al ratio in the hydrotalcite (2-4), and on the starting layered double hydroxide (solid or delaminated form). The materials at various stages of the treatment were characterized by inductive coupled plasma-optical emission spectroscopy, X-ray diffraction, transmission electron microscopy, infrared spectroscopy, thermogravimetry, and nitrogen adsorption at 77 K. The progressive transformation of hydrotalcite towards crystalline dawsonite and magnesium ammonium carbonate phases follows a dissolution-precipitation mechanism. A gradual decrease of the Mg/Al ratio in the resulting solids was observed in time due to magnesium leaching in the reacting medium. Dawsonite-hydrotalcite composite formation is favored at high aluminum contents in the starting hydrotalcite, while the formation of magnesium ammonium carbonate is favored at high Mg/Al ratios. The synthetic strategy comprising hydrotalcite delamination in formamide prior to aqueous (NH 4) 2CO 3 treatment is more reactive towards composite formation than starting from the bulk solid hydrotalcite.

  8. Acoustic cross-correlation flowmeter for solid-gas flow

    DOEpatents

    Sheen, Shuh-Haw; Raptis, Apostolos C.

    1986-01-01

    Apparatus for measuring particle velocity in a solid-gas flow within a pipe includes: first and second transmitting transducers for transmitting first and second ultrasonic signals into the pipe at first and second locations, respectively, along the pipe; an acoustic decoupler, positioned between said first and second transmitting transducers, for acoustically isolating said first and second signals from one another; first and second detecting transducers for detecting said first and second signals and for generating first and second detected signals in response to said first and second detected signals; and means for cross-correlating said first and second output signals.

  9. Fluidization onset and expansion of gas-solid fluidized beds

    SciTech Connect

    Jones, O.C.; Shin, T.S.

    1984-08-01

    A simple, mass conservation-based, kinematic model is presented for accurately predicting both the onset of fluidization and the degree of (limit of) bed expansion in bubbling gas-solid fluidized beds. The model is consistant with inception correlations exisiting in the literature. Since the method has a sound physical basis, it might be expected to provide scaling between laboratory-scale fluidized beds and large-scale systems. This scaling ability, however, remains to be demonstrated as does the application to pressurized systems and where the terminal Reynolds numbers exceed 1000, (Archimedes numbers over about 3.2 x 10/sup 5/).

  10. Acoustic cross-correlation flowmeter for solid-gas flow

    NASA Astrophysics Data System (ADS)

    Sheen, S. H.; Raptis, A. C.

    1984-05-01

    An apparatus for measuring particle velocity in a solid-gas flow within a pipe is described. It includes: first and second transmitting transducers for transmitting first and second ultrasonic signals into the pipe at first and second locations, respectively, along the pipe; an acoustic decoupler, positioned between said first and second transmitting transducers, for acoustically isolating said first and second signals from one another; first and second detecting transducers for detecting said first and second signals and for generating first and second detected signals; and means for cross-correlating said first and second output signals.

  11. Acoustic cross-correlation flowmeter for solid-gas flow

    DOEpatents

    Sheen, S.H.; Raptis, A.C.

    1984-05-14

    Apparatus for measuring particle velocity in a solid-gas flow within a pipe includes: first and second transmitting transducers for transmitting first and second ultrasonic signals into the pipe at first and second locations, respectively, along the pipe; an acoustic decoupler, positioned between said first and second transmitting transducers, for acoustically isolating said first and second signals from one another; first and second detecting transducers for detecting said first and second signals and for generating first and second detected signals; and means for cross-correlating said first and second output signals.

  12. Cover and startup gas supply system for solid oxide fuel cell generator

    DOEpatents

    Singh, P.; George, R.A.

    1999-07-27

    A cover and startup gas supply system for a solid oxide fuel cell power generator is disclosed. Hydrocarbon fuel, such as natural gas or diesel fuel, and oxygen-containing gas are supplied to a burner. Combustion gas exiting the burner is cooled prior to delivery to the solid oxide fuel cell. The system mixes the combusted hydrocarbon fuel constituents with hydrogen which is preferably stored in solid form to obtain a non-explosive gas mixture. The system may be used to provide both non-explosive cover gas and hydrogen-rich startup gas to the fuel cell. 4 figs.

  13. Cover and startup gas supply system for solid oxide fuel cell generator

    DOEpatents

    Singh, Prabhakar; George, Raymond A.

    1999-01-01

    A cover and startup gas supply system for a solid oxide fuel cell power generator is disclosed. Hydrocarbon fuel, such as natural gas or diesel fuel, and oxygen-containing gas are supplied to a burner. Combustion gas exiting the burner is cooled prior to delivery to the solid oxide fuel cell. The system mixes the combusted hydrocarbon fuel constituents with hydrogen which is preferably stored in solid form to obtain a non-explosive gas mixture. The system may be used to provide both non-explosive cover gas and hydrogen-rich startup gas to the fuel cell.

  14. Reactive Gas transport in soil: Kinetics versus Local Equilibrium Approach

    NASA Astrophysics Data System (ADS)

    Geistlinger, Helmut; Jia, Ruijan

    2010-05-01

    Gas transport through the unsaturated soil zone was studied using an analytical solution of the gas transport model that is mathematically equivalent to the Two-Region model. The gas transport model includes diffusive and convective gas fluxes, interphase mass transfer between the gas and water phase, and biodegradation. The influence of non-equilibrium phenomena, spatially variable initial conditions, and transient boundary conditions are studied. The objective of this paper is to compare the kinetic approach for interphase mass transfer with the standard local equilibrium approach and to find conditions and time-scales under which the local equilibrium approach is justified. The time-scale of investigation was limited to the day-scale, because this is the relevant scale for understanding gas emission from the soil zone with transient water saturation. For the first time a generalized mass transfer coefficient is proposed that justifies the often used steady-state Thin-Film mass transfer coefficient for small and medium water-saturated aggregates of about 10 mm. The main conclusion from this study is that non-equilibrium mass transfer depends strongly on the temporal and small-scale spatial distribution of water within the unsaturated soil zone. For regions with low water saturation and small water-saturated aggregates (radius about 1 mm) the local equilibrium approach can be used as a first approximation for diffusive gas transport. For higher water saturation and medium radii of water-saturated aggregates (radius about 10 mm) and for convective gas transport, the non-equilibrium effect becomes more and more important if the hydraulic residence time and the Damköhler number decrease. Relative errors can range up to 100% and more. While for medium radii the local equilibrium approach describes the main features both of the spatial concentration profile and the time-dependence of the emission rate, it fails completely for larger aggregates (radius about 100 mm

  15. Method for generating a highly reactive plasma for exhaust gas aftertreatment and enhanced catalyst reactivity

    DOEpatents

    Whealton, John H.; Hanson, Gregory R.; Storey, John M.; Raridon, Richard J.; Armfield, Jeffrey S.; Bigelow, Timothy S.; Graves, Ronald L.

    2001-01-01

    A method for non-thermal plasma aftertreatment of exhaust gases the method comprising the steps of providing short risetime (about 40 ps), high frequency (about 5G hz), high power bursts of low-duty factor microwaves sufficient to generate a dielectric barrier discharge and passing a gas to treated through the discharge so as to cause dissociative reduction of the exhaust gases. The invention also includes a reactor for generating the non-thermal plasma.

  16. PRESSURIZED SOLID OXIDE FUEL CELL/GAS TURBINE POWER SYSTEM

    SciTech Connect

    W.L. Lundberg; G.A. Israelson; R.R. Moritz; S.E. Veyo; R.A. Holmes; P.R. Zafred; J.E. King; R.E. Kothmann

    2000-02-01

    Power systems based on the simplest direct integration of a pressurized solid oxide fuel cell (SOFC) generator and a gas turbine (GT) are capable of converting natural gas fuel energy to electric power with efficiencies of approximately 60% (net AC/LHV), and more complex SOFC and gas turbine arrangements can be devised for achieving even higher efficiencies. The results of a project are discussed that focused on the development of a conceptual design for a pressurized SOFC/GT power system that was intended to generate 20 MWe with at least 70% efficiency. The power system operates baseloaded in a distributed-generation application. To achieve high efficiency, the system integrates an intercooled, recuperated, reheated gas turbine with two SOFC generator stages--one operating at high pressure, and generating power, as well as providing all heat needed by the high-pressure turbine, while the second SOFC generator operates at a lower pressure, generates power, and provides all heat for the low-pressure reheat turbine. The system cycle is described, major system components are sized, the system installed-cost is estimated, and the physical arrangement of system components is discussed. Estimates of system power output, efficiency, and emissions at the design point are also presented, and the system cost of electricity estimate is developed.

  17. Water-Gas Shift and Methane Reactivity on Reducible Perovskite-Type Oxides

    PubMed Central

    2015-01-01

    Comparative (electro)catalytic, structural, and spectroscopic studies in hydrogen electro-oxidation, the (inverse) water-gas shift reaction, and methane conversion on two representative mixed ionic–electronic conducting perovskite-type materials La0.6Sr0.4FeO3−δ (LSF) and SrTi0.7Fe0.3O3−δ (STF) were performed with the aim of eventually correlating (electro)catalytic activity and associated structural changes and to highlight intrinsic reactivity characteristics as a function of the reduction state. Starting from a strongly prereduced (vacancy-rich) initial state, only (inverse) water-gas shift activity has been observed on both materials beyond ca. 450 °C but no catalytic methane reforming or methane decomposition reactivity up to 600 °C. In contrast, when starting from the fully oxidized state, total methane oxidation to CO2 was observed on both materials. The catalytic performance of both perovskite-type oxides is thus strongly dependent on the degree/depth of reduction, on the associated reactivity of the remaining lattice oxygen, and on the reduction-induced oxygen vacancies. The latter are clearly more reactive toward water on LSF, and this higher reactivity is linked to the superior electrocatalytic performance of LSF in hydrogen oxidation. Combined electron microscopy, X-ray diffraction, and Raman measurements in turn also revealed altered surface and bulk structures and reactivities. PMID:26045733

  18. Reactive solid-state dewetting of Cu-Ni films on silicon

    SciTech Connect

    Clearfield, Raphael; Railsback, Justin G.; Melechko, Anatoli V.; Pearce, Ryan C.; Hensley, Dale K.; Fowlkes, Jason D.; Fuentes-Cabrera, Miguel; Simpson, Michael L.; Rack, Philip D.

    2010-12-20

    The behavior of a 50 nm Cu-Ni alloy film on Si in a process of reactive solid-state dewetting is presented. The films were annealed at a range of temperatures (300-700 deg. C) in 1%H{sub 2} 99%N{sub 2} reducing atmosphere. The resulting alloy and silicide particles formed by film dewetting and film reaction with the substrate were distinguished by selective wet etching and examined by scanning electron microscopy and spectroscopy. After potassium hydroxide etch, regions that etch slower than silicon substrate have distribution statistics similar to the alloy and silicide particles prior to their removal, indicating strong coupling between mass transport across the interface and along the surface.

  19. An index for quantifying the aerobic reactivity of municipal solid wastes and derived waste products.

    PubMed

    Scaglia, Barbara; Adani, Fabrizio

    2008-05-01

    The organic matter contained in municipal solid waste (MSW) and in the MSW fractions obtained by mechanical separation has strong environmental impact when the waste is used as landfill. This is partly due to the biological activity that occurs under anaerobic conditions. Negative effects on the environment include unpleasant odors, biogas, leachate and biomass self-heating. Measuring the biological reactivity of waste with the help of indicators is an important tool to prevent waste impact. The aim of this study was to develop an index capable of describing the aerobic reactivity of waste, using both biological and chemical indicators. To develop this index, 71 MSW and MSW-product samples, including biologically treated MSW and mechanically separated MSW fractions, were analyzed. Fifty of the 71 samples analyzed represented MSWs and their derived products collected from a number of Italian waste plants and sites. The remaining 21 were MSW samples collected at different times during 8 different full-scale aerobic biological processes in four treatment plants used to reduce the biological reactivity of wastes. Five of these processes used the entire (unsorted) MSW, while the remaining three used the organic fraction of the MSW obtained by mechanical pre-treatment (waste sieving). Respirometric activity (Dynamic Respiration Index, DRI) and eluates characterization (chemical oxygen demand--COD, and 5 days biological oxygen demand--BOD5) were used as indicators of waste strength, as they had previously been reported to be indirect measures of waste impact on landfill. Summarizing all studied indicators, Principal Component Analysis (PCA) was used to develop the Putrescibility Index (Ip). The results revealed Ip index of 204+/-33 (mean+/-standard deviation) and 159+/-14 for the organic fraction of MSW and MSW untreated waste respectively, and of 106+/-16 and 101+/-22 for the corresponding biologically treated waste. PMID:18280541

  20. Co-processing of agricultural plastic waste and switchgrass via tail gas reactive pyrolysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Mixtures of agricultural plastic waste in the form of polyethylene hay bale covers (PE) (4-37%) and switchgrass were investigated using the US Department of Agriculture’s tail gas reactive pyrolysis (TGRP) at different temperatures (400-570 deg C). TGRP of switchgrass and plastic mixtures significan...

  1. Iridium single atom tips fabricated by field assisted reactive gas etching

    NASA Astrophysics Data System (ADS)

    Wood, John A.; Urban, Radovan; Salomons, Mark; Cloutier, Martin; Wolkow, Robert A.; Pitters, Jason L.

    2016-03-01

    We present a simple, reliable method to fabricate Ir single atom tips (SATs) from polycrystalline wire. An electrochemical etch in CaCl2 solution is followed by a field assisted reactive gas etch in vacuum at room temperature using oxygen as an etching gas and neon as an imaging gas. Once formed, SATs are cooled to liquid nitrogen temperatures and their underlying structure is examined through evaporation of the apex atoms. Furthermore, a method is developed to repair Ir SATs at liquid nitrogen temperatures when apex atoms evaporate. This method may be used to fabricate Ir SAT ion sources.

  2. NiCr etching in a reactive gas

    SciTech Connect

    Ritter, J.; Boucher, R.; Morgenroth, W.; Meyer, H. G.

    2007-05-15

    The authors have etched NiCr through a resist mask using Cl/Ar based chemistry in an electron cyclotron resonance etch system. The optimum gas mixture and etch parameters were found for various ratios of Ni to Cr, based on the etch rate, redeposits, and the etch ratio to the mask. The introduction of O{sub 2} into the chamber, which is often used in the etching of Cr, served to both increase and decrease the etch rate depending explicitly on the etching parameters. Etch rates of >50 nm min{sup -1} and ratios of >1 (NiCr:Mask) were achieved for NiCr (80:20). Pattern transfer from the mask into the NiCr was achieved with a high fidelity and without redeposits for a Cl/Ar mix of 10% Ar (90% Cl{sub 2}) at an etch rate of {approx_equal}50 nm min{sup -1} and a ratio of 0.42 (NiCr:ZEP 7000 e-beam mask)

  3. Characterization of zeolite structure and fluorocarbon reactivity using solid state NMR and x-ray powder diffraction

    NASA Astrophysics Data System (ADS)

    Ciraolo, Michael Frank

    The research presented in this thesis involves a combination of techniques used to study the structure and interactions zeolites adsorbed with fluorocarbons. This research is specifically aimed at understanding the processes of adsorption, binding, and reactivity of fluorocarbons on cation exchanged faujasite type zeolites. The solid state ion exchange process has also been studied since it is one way to obtain materials with higher exchange levels, which has been shown to effect adsorption and catalytic activity. To improve the understanding of the adsorption and separation processes a time resolved in-situ synchrotron x-ray powder diffraction study has been undertaken. Since faujasite type zeolites have been found to be effective in separating mixtures of HFC-134 (CF2HCF2H) and HFC-134a (CFH2CF3) isomers, the adsorption of these fluorocarbons on NaY have been studied. It has been shown that both the extent of loading and the kinetics of the sorption process in molecular sieves can be followed using this technique. A model for the binding of hydrochlorofluorocarbon (HCFC) 124a (CF 2HCF2Cl) adsorbed on NaX at 100K has been determined using a combination x-ray and neutron powder diffraction and solid state NMR. Using Rietveld refinement of the diffraction data, the HCFC molecule was found localized in the zeolite cavities bound on either end by sodium cations in the SII and SIII' positions. The model is consistent with hydrogen bonding between the proton of the HCFC and the framework oxygen. The NMR results further confirm the model and are consistent with Na-F binding and HCFC-framework interactions. Solid-state MAS NMR, synchrotron X-ray powder diffraction and a mass spectrometer and gas chromatograph catalysis system have been used to study the reactivity of HCFC-124a (CF2HCF2Cl) on NaX, Zn 2+-exchanged NaX (ZnX) and Rb+-exchanged NaX (RbX). We have chosen to study HCFC-124a (CF2HCF2Cl) since HCFC-124a can undergo both dehydrofluorination and dehydrochlorination

  4. Organometallic synthesis, reactivity and catalysis in the solid state using well-defined single-site species

    PubMed Central

    Pike, Sebastian D.; Weller, Andrew S.

    2015-01-01

    Acting as a bridge between the heterogeneous and homogeneous realms, the use of discrete, well-defined, solid-state organometallic complexes for synthesis and catalysis is a remarkably undeveloped field. Here, we present a review of this topic, focusing on describing the key transformations that can be observed at a transition-metal centre, as well as the use of well-defined organometallic complexes in the solid state as catalysts. There is a particular focus upon gas–solid reactivity/catalysis and single-crystal-to-single-crystal transformations. PMID:25666064

  5. Experimental design for reflection measurements of highly reactive liquid or solid substances with application to liquid sodium

    SciTech Connect

    Chan, S.H.; Gossler, A.A.

    1980-06-30

    A versatile goniometer system with associated electronic components and mechanical instruments has been assembled. It is designed to measure spectral, specular reflectances of highly reactive liquid or solid substances over a spectral range of 0.3 to 9 ..mu.. and incidence angles of 12 to 30/sup 0/ off the normal direction. The capability of measuring reflectances of liquid substances clearly distinguishes this experimental design from conventional systems which are applicable only to solid substances. This design has been used to measure the spectral, specular reflectance of liquid sodium and preliminary results obtained are compared with those of solid sodium measured by other investigators.

  6. A new model for gas/solid pipe flow

    SciTech Connect

    Wu, Bangxian; Chang, S.L.; Lottes, S.A.; Petrick, M.

    1995-12-31

    A new model of particle turbulent dispersion in vertical gas/solid pipe flow is presented in this paper. The essence of the model is to pay more attention to the active and discrete behavior of particles in the dispersion process in non-homogeneous turbulent vertical pipe flows using two-fluid approaches. In the new model, a non-gradient type of diffusion term is included in the expression of radial particle dispersion flux; the transport equation for particle turbulent kinetic energy (PTKE) is developed and solved for its distribution; the effect of intra-particle collision is considered for the generation and dissipation of PTKE; turbulence modulation due to particle presence is taken into account. Preliminary numerical results based on this new model are also presented in this paper.

  7. Reactive sputtering of titanium in Ar/CH4 gas mixture: Target poisoning and film characteristics

    SciTech Connect

    Fouad, O.A.; Rumaiz, A.; Shah, S.

    2009-03-01

    Reactive sputtering of titanium target in the presence of Ar/CH{sub 4} gas mixture has been investigated. With the addition of methane gas to above 1.5% of the process gas a transition from the metallic sputtering mode to the poison mode was observed as indicated by the change in cathode current. As the methane gas flow concentration increased up to 10%, the target was gradually poisoned. The hysteresis in the cathode current could be plotted by first increasing and then subsequently decreasing the methane concentration. X-ray diffraction and X-ray photoelectron spectroscopy analyses of the deposited films confirmed the formation of carbide phases and the transition of the process from the metallic to compound sputtering mode as the methane concentration in the sputtering gas is increased. The paper discusses a sputtering model that gives a rational explanation of the target poisoning phenomenon and shows an agreement between the experimental observations and calculated results.

  8. A new method for the measurement of solids holdup in gas-liquid-solid three-phase systems

    SciTech Connect

    Wenge, F.; Chisti, Y.; Moo-Young, M.

    1995-03-01

    Gas-liquid-solid multiphase systems are commonly encountered in the chemical process industry, in bio-processing, and in environmental pollution abatement devices. A method for the measurement of gas and solids holdups in gas-liquid-solid multiphase devices is developed and tested. The method depends on measurements of hydrostatic pressures in the three-phase dispersion followed by interruption of gas flow, complete gas disengagement, and a second pressure measurement in the resulting two-phase solid-liquid slurry, over a short period of time (< 30 s). The proposed method is compared with results obtained with physical sampling of the multiphase flow in vertical up- and down-flow in a large airlift reactor (0.243 m diameter, 7.825 m overall height, 2.44 riser-to-downcomer cross-sectional area ratio). Applicability of the technique to slurries of glass beads in tap water is demonstrated for various sizes and concentrations of beads over a range of gas flow rates (0.070--0.150 {times} 10{sup {minus}3} m bead diameter, 2,500 kg/m{sup 3} solids density, 0.02--0.17 m/s superficial gas velocity).

  9. A solid state gas density monitor for gas insulated substation equipment

    SciTech Connect

    Saaski, E.W.; Hartl, J.C.

    1982-07-01

    A solid state gas density monitor has been developed for SF/sub 6/ service in gas-insulated substation equipment that is based on principles and construction techniques similar to ionization-type fire alarms. The monitor has a resolution of .7kPa (.1 psi) at 20/sup 0/C and, depending on ion chamber voltage and geometry, exhibits a linearity of /sup +//sub -/1 to /sup +//sub -/4. kPa (/sup +//sub -/.15 to /sup +//sub -/.6 psi) at 20/sup 0/C over the density range 0.20 to 0.66 MPa (30 to 95 psia) at 20/sup 0/C. The monitor incorporates two level contact closure actuated by gas density falling below one of two pre-set alarm limits, and an LCD read-out for visual monitoring and instrument calibration. The display presents density in terms of equivalent psia at 68/sup 0/F. (20/sup 0/C.).

  10. Generalized gas-solid adsorption modeling: Single-component equilibria

    DOE PAGESBeta

    Ladshaw, Austin; Yiacoumi, Sotira; Tsouris, Costas; DePaoli, David W.

    2015-01-07

    Over the last several decades, modeling of gas–solid adsorption at equilibrium has generally been accomplished through the use of isotherms such as the Freundlich, Langmuir, Tóth, and other similar models. While these models are relatively easy to adapt for describing experimental data, their simplicity limits their generality to be used with many different sets of data. This limitation forces engineers and scientists to test each different model in order to evaluate which one can best describe their data. Additionally, the parameters of these models all have a different physical interpretation, which may have an effect on how they can bemore » further extended into kinetic, thermodynamic, and/or mass transfer models for engineering applications. Therefore, it is paramount to adopt not only a more general isotherm model, but also a concise methodology to reliably optimize for and obtain the parameters of that model. A model of particular interest is the Generalized Statistical Thermodynamic Adsorption (GSTA) isotherm. The GSTA isotherm has enormous flexibility, which could potentially be used to describe a variety of different adsorption systems, but utilizing this model can be fairly difficult due to that flexibility. To circumvent this complication, a comprehensive methodology and computer code has been developed that can perform a full equilibrium analysis of adsorption data for any gas-solid system using the GSTA model. The code has been developed in C/C++ and utilizes a Levenberg–Marquardt’s algorithm to handle the non-linear optimization of the model parameters. Since the GSTA model has an adjustable number of parameters, the code iteratively goes through all number of plausible parameters for each data set and then returns the best solution based on a set of scrutiny criteria. Data sets at different temperatures are analyzed serially and then linear correlations with temperature are made for the parameters of the model. The end result is a full set

  11. Generalized gas-solid adsorption modeling: Single-component equilibria

    SciTech Connect

    Ladshaw, Austin; Yiacoumi, Sotira; Tsouris, Costas; DePaoli, David W.

    2015-01-07

    Over the last several decades, modeling of gas–solid adsorption at equilibrium has generally been accomplished through the use of isotherms such as the Freundlich, Langmuir, Tóth, and other similar models. While these models are relatively easy to adapt for describing experimental data, their simplicity limits their generality to be used with many different sets of data. This limitation forces engineers and scientists to test each different model in order to evaluate which one can best describe their data. Additionally, the parameters of these models all have a different physical interpretation, which may have an effect on how they can be further extended into kinetic, thermodynamic, and/or mass transfer models for engineering applications. Therefore, it is paramount to adopt not only a more general isotherm model, but also a concise methodology to reliably optimize for and obtain the parameters of that model. A model of particular interest is the Generalized Statistical Thermodynamic Adsorption (GSTA) isotherm. The GSTA isotherm has enormous flexibility, which could potentially be used to describe a variety of different adsorption systems, but utilizing this model can be fairly difficult due to that flexibility. To circumvent this complication, a comprehensive methodology and computer code has been developed that can perform a full equilibrium analysis of adsorption data for any gas-solid system using the GSTA model. The code has been developed in C/C++ and utilizes a Levenberg–Marquardt’s algorithm to handle the non-linear optimization of the model parameters. Since the GSTA model has an adjustable number of parameters, the code iteratively goes through all number of plausible parameters for each data set and then returns the best solution based on a set of scrutiny criteria. Data sets at different temperatures are analyzed serially and then linear correlations with temperature are made for the parameters of the model. The end result is a full set of

  12. A CFD study of gas-solid jet in a CFB riser flow

    SciTech Connect

    Li, Tingwen; Guenther, Chris

    2012-03-01

    Three-dimensional high-resolution numerical simulations of a gas–solid jet in a high-density riser flow were conducted. The impact of gas–solid injection on the riser flow hydrodynamics was investigated with respect to voidage, tracer mass fractions, and solids velocity distribution. The behaviors of a gas–solid jet in the riser crossflow were studied through the unsteady numerical simulations. Substantial separation of the jetting gas and solids in the riser crossflow was observed. Mixing of the injected gas and solids with the riser flow was investigated and backmixing of gas and solids was evaluated. In the current numerical study, both the overall hydrodynamics of riser flow and the characteristics of gas–solid jet were reasonably predicted compared with the experimental measurements made at NETL.

  13. Impact of exhaust gas recirculation (EGR) on the oxidative reactivity of diesel engine soot

    SciTech Connect

    Al-Qurashi, Khalid; Boehman, Andre L.

    2008-12-15

    This paper expands the consideration of the factors affecting the nanostructure and oxidative reactivity of diesel soot to include the impact of exhaust gas recirculation (EGR). Past work showed that soot derived from oxygenated fuels such as biodiesel carries some surface oxygen functionality and thereby possesses higher reactivity than soot from conventional diesel fuel. In this work, results show that EGR exerts a strong influence on the physical properties of the soot which leads to enhanced oxidation rate. HRTEM images showed a dramatic difference between the burning modes of the soot generated under 0 and 20% EGR. The soot produced under 0% EGR strictly followed an external burning mode with no evidence of internal burning. In contrast, soot generated under 20% EGR exhibited dual burning modes: slow external burning and rapid internal burning. The results demonstrate clearly that highly reactive soot can be achieved by manipulating the physical properties of the soot via EGR. (author)

  14. Adsorption of phenol and reactive dye from aqueous solution on activated carbons derived from solid wastes.

    PubMed

    Nakagawa, Kyuya; Namba, Akio; Mukai, Shin R; Tamon, Hajime; Ariyadejwanich, Pisit; Tanthapanichakoon, Wiwut

    2004-04-01

    Activated carbons were produced from several solid wastes, namely, waste PET, waste tires, refuse derived fuel and wastes generated during lactic acid fermentation from garbage. Activated carbons having various pore size distributions were obtained by the conventional steam-activation method and via the pre-treatment method (i.e., mixture of raw materials with a metal salt, carbonization and acid treatment prior to steam-activation) that was proposed by the authors. The liquid-phase adsorption characteristics of organic compounds from aqueous solution on the activated carbons were determined to confirm the applicability of these carbons, where phenol and a reactive dye, Black5, were employed as representative adsorbates. The hydrophobic surface of the carbons prepared was also confirmed by water vapor adsorption. The characteristics of a typical commercial activated carbon were also measured and compared. It was found that the activated carbons with plentiful mesopores prepared from PET and waste tires had quite high adsorption capacity for large molecules. Therefore they are useful for wastewater treatment, especially, for removal of bulky adsorbates. PMID:15026233

  15. A Statistical Hot Spot Reactive Flow Model for Shock Initiation and Detonation of Solid High Explosives

    SciTech Connect

    Nichols, A L; Tarver, C M

    2002-07-01

    A statistical hot spot reactive flow model for shock initiation and detonation of solid high explosives developed in the ALE3D hydrodynamic computer code is presented. This model is intended to evolve into a physically correct description of the physical and chemical mechanisms that control the onset of shock initiation via hotspot formation, the growth (01 failure to grow) of these hotspots into the surrounding explosive particles, the rapid transition to detonation, and self-sustaining detonation. Mesoscale modeling of the shock compression and temperature dependent chemical decomposition of individual explosive particles are currently yielding accurate predictions of hot spot formation and the subsequent growth (or failure) of these hotspot reactions in the surrounding grains. For two- and three-dimensional simulations of larger scale explosive charges, a statistical hotspot model that averages over thousands of individual hotspot dimensions and temperatures and then allows exothermic chemical reactions to grow (or fail to grow) due to thermal conduction is required. This paper outlines a first approach to constructing a probabilistic hot spot formulation based on the number density of potential hotspot sites. These hotspots can then either ignite or die out if they do not exceed certain ignition criteria, which are based on physical properties of the explosive particles. The growing hot spots spread at burn velocities given by experimentally determined deflagration velocity versus pressure relationships. The mathematics and assumptions involved in formulating the model and practical examples of its usefulness are given.

  16. Bio-inspired solid phase extraction sorbent material for cocaine: a cross reactivity study.

    PubMed

    Montesano, Camilla; Sergi, Manuel; Perez, German; Curini, Roberta; Compagnone, Dario; Mascini, Marcello

    2014-12-01

    The binding specificity of a bio-inspired hexapeptide (QHWWDW) versus cocaine and four other drugs such as 3,4-methylenedioxy-N-methylamphetamine (MDMA), 3,4-methylenedioxy-N-ethylamphetamine (MDEA), phencyclidine and morphine was computationally studied and then experimentally confirmed in solid phase extraction (SPE) followed by liquid chromatography-mass spectrometry (LC/MS) detection. In simulation, the hexapeptide-drug complexes were docked with different scoring functions and considering pH chemical environment. In experimental, the cross reactivity of the selected hexapeptide was tested as SPE sorbent versus cocaine and other four drugs using buffer solutions at pH 4 and 7. Significant differences in specific retention were found between cocaine (97% of recovery) and both morphine (45% of recovery) and phencyclidine (60% of recovery), but less for ecstasies (average recovery 69%). In agreement with docking simulation, the hexapeptide showed the highest recovery with best specificity versus cocaine at pH 7 with an experimentally binding constant of 2.9 × 10(6)M(-1). The bio-inspired sorbent material analytical performances were compared with a commercial reversed phase cartridge confirming the hexapeptide specificity to cocaine and validating simulated data. PMID:25159425

  17. Reactive Gas Environment Induced Structural Modification of Noble-Transition Metal Alloy Nanoparticles

    NASA Astrophysics Data System (ADS)

    Petkov, V.; Yang, L.; Yin, J.; Loukrakpam, R.; Shan, S.; Wanjala, B.; Luo, J.; Chapman, K. W.; Zhong, C. J.

    2012-09-01

    Noble-transition metal (noble=Pt,Au; transition=Co,Ni,Cu) alloy particles with sizes of about 5 nm have been studied by in situ high-energy x-ray diffraction while subjected to oxidizing (O2) and reducing (H2) gas atmospheres at elevated temperatures. The different gas atmospheres do not affect substantially the random alloy, face-centered-cubic structure type of the particles but do affect the way the metal atoms pack together. In an O2 atmosphere, atoms get extra separated from each other, whereas, in an H2 atmosphere, they come closer together. The effect is substantial, amounting to 0.1 Å difference in the first neighbor atomic distances, and concurs with a dramatic change of the particle catalytic properties. It is argued that such reactive gas induced “expansion shrinking” is a common phenomenon that may be employed for the engineering of “smart” nanoparticles responding advantageously to envisaged gas environments.

  18. Gas-Phase Neutral Binary Oxide Clusters: Distribution, Structure, and Reactivity toward CO.

    PubMed

    Wang, Zhe-Chen; Yin, Shi; Bernstein, Elliot R

    2012-09-01

    Neutral binary (vanadium-cobalt) oxide clusters are generated and detected in the gas phase for the first time. Their reactivities toward carbon monoxide (CO) are studied both experimentally and theoretically. Experimental results suggest that neutral VCoO4 can react with CO to generate VCoO3 and CO2. Density functional theory studies show parallel results as well as provide detailed reaction mechanisms. PMID:26292125

  19. Numerical Modeling of Reactive Multiphase Flow for FCC and Hot Gas Desulfurization Circulating Fluidized Beds

    SciTech Connect

    2005-07-01

    This work was carried out to understand the behavior of the solid and gas phases in a CFB riser. Only the riser is modeled as a straight pipe. A model with linear algebraic approximation to solids viscosity of the form, {musubs} = 5.34{epsisubs}, ({espisubs} is the solids volume fraction) with an appropriate boundary condition at the wall obtained by approximate momentum balance solution at the wall to acount for the solids recirculation is tested against experimental results. The work done was to predict the flow patterns in the CFB risers from available experimental data, including data from a 7.5-cm-ID CFB riser at the Illinois Institute of Technology and data from a 20.0-cm-ID CFB riser at the Particulate Solid Research, Inc., facility. This research aims at modeling the removal of hydrogen sulfide from hot coal gas using zinc oxide as the sorbent in a circulating fluidized bed and in the process indentifying the parameters that affect the performance of the sulfidation reactor. Two different gas-solid reaction models, the unreacted shrinking core (USC) and the grain model were applied to take into account chemical reaction resistances. Also two different approaches were used to affect the hydrodynamics of the process streams. The first model takes into account the effect of micro-scale particle clustering by adjusting the gas-particle drag law and the second one assumes a turbulent core with pseudo-steady state boundary condition at the wall. A comparison is made with experimental results.

  20. Interaction of coal-derived synthesis gas impurities with solid oxide fuel cell metallic components

    NASA Astrophysics Data System (ADS)

    Marina, Olga A.; Pederson, Larry R.; Coyle, Christopher A.; Edwards, Danny J.; Chou, Yeong-Shyung; Cramer, Carolyn N.

    Oxidation-resistant alloys find use as interconnect materials, heat exchangers, and gas supply tubing in solid oxide fuel cell (SOFC) systems, especially when operated at temperatures below ∼800 °C. If fueled with synthesis gas derived from coal or biomass, such metallic components could be exposed to impurities contained in those fuel sources. In this study, coupons of ferritic stainless steels Crofer 22 APU and SS 441, austenitic nickel-chromium superalloy Inconel 600, and an alumina-forming high nickel alloy alumel were exposed to synthesis gas containing ≤2 ppm phosphorus, arsenic and antimony, and reaction products were tested. Crofer 22 APU coupons coated with a (Mn,Co) 3O 4 protective layer were also evaluated. Phosphorus was found to be the most reactive. On Crofer 22 APU, the (Mn,Cr) 3O 4 passivation layer reacted to form an Mn-P-O product, predicted to be manganese phosphate from thermochemical calculations, and Cr 2O 3. On SS 441, reaction of phosphorus with (Mn,Cr) 3O 4 led to the formation of manganese phosphate as well as an Fe-P product, predicted from thermochemical calculations to be Fe 3P. Minimal interactions with antimony or arsenic in synthesis gas were limited to Fe-Sb and Fe-As solid solution formation. Though not intended for use on the anode side, a (Mn,Co) 3O 4 spinel coating on Crofer 22 APU reacted with phosphorus in synthesis gas to produce products consistent with Mn 3(PO 4) 2 and Co 2P. A thin Cr 2O 3 passivation layer on Inconel 600 did not prevent the formation of nickel phosphides and arsenides and of iron phosphides and arsenides, though no reaction with Cr 2O 3 was apparent. On alumel, an Al 2O 3 passivation layer rich in Ni did not prevent the formation of nickel phosphides, arsenides, and antimonides, though no reaction with Al 2O 3 occurred. This work shows that unprotected metallic components of an SOFC stack and system can provide a sink for P, As and Sb impurities that may be present in fuel gases, and thus complicate

  1. ENVIRONMENTAL REACTIVITY OF SOLID STATE HYDRIDE MATERIALS: MODELING AND TESTING FOR AIR AND WATER EXPOSURE

    SciTech Connect

    Anton, D.; James, C.; Cortes-Concepcion, J.; Tamburello, D.; Brinkman, K.; Gray, J.

    2010-05-18

    To make commercially acceptable condensed phase hydrogen storage systems, it is important to understand quantitatively the risks involved in using these materials. A rigorous set of environmental reactivity tests have been developed based on modified testing procedures codified by the United Nations for the transportation of dangerous goods. Potential hydrogen storage material, 2LiBH4{center_dot}MgH2 and NH3BH3, have been tested using these modified procedures to evaluate the relative risks of these materials coming in contact with the environment in hypothetical accident scenarios. It is apparent that an ignition event will only occur if both a flammable concentration of hydrogen and sufficient thermal energy were available to ignite the hydrogen gas mixture. In order to predict hydride behavior for hypothesized accident scenarios, an idealized finite element model was developed for dispersed hydride from a breached system. Empirical thermodynamic calculations based on precise calorimetric experiments were performed in order to quantify the energy and hydrogen release rates and to quantify the reaction products resulting from water and air exposure. Both thermal and compositional predictions were made with identification of potential ignition event scenarios.

  2. Gas-solid alkali destruction of volatile chlorocarbons

    SciTech Connect

    Foropoulos, J. Jr.

    1995-12-01

    Many chlorocarbons are environmental dangers and health hazards. The simplest perchlorinated hydrocarbon, carbon tetrachloride, is near the top of the list of hazardous compounds. Carbon tetrachloride was used as a cleaning fluid, solvent, and fire-extinguishing agent. The nuclear and defense complexes also employed great quantities of carbon tetrachloride and other chlorocarbons as cleaning and degreasing agents. Many sites nationwide have underground chlorocarbon contamination plumes. Bulk chlorocarbon inventories at many locations await treatment and disposal. Often the problem is compounded by the chlorocarbon being radioactively contaminated. Waste inventory and groundwater contamination problems exist for many other chlorocarbons, especially methylene chloride, chloroform, and tri- and tetrachloroethylene. In this work solid soda lime (a fused mixture of approximately 95% CaO and 5% NaOH in a coarse, granulated form) at 350 C to 400 C acts as the hydrolyzing degradation, and off-gas scrubbing medium. Within soda lime CO{sub 2} and HCl from hydrolysis and degradation convert immediately to calcium and sodium chlorides and carbonates, with water vapor as a volatile byproduct.

  3. Surface emission of landfill gas from solid waste landfill

    NASA Astrophysics Data System (ADS)

    Park, Jin-Won; Shin, Ho-Chul

    The surface emission of landfill gas (LFG) was studied to estimate the amount of LFG efflux from solid waste landfills using an air flux chamber. LFG efflux increased as atmospheric temperature increased during the day, and the same pattern for the surface emission was observed for the change of seasons. LFG efflux rate decreased from summer through winter. The average LFG efflux rates of winter, spring and summer were 0.1584, 0.3013 and 0.8597 m 3 m -2 h -1 respectively. The total amount of surface emission was calculated based on the seasonal LFG efflux rate and the landfill surface area. From the estimates of LFG generation, it is expected that about 30% of the generated LFG may be released through the surface without extraction process. As forced extraction with a blower proceeded, the extraction well pressure decreased from 1100 to -100 mm H 2O, and the LFG surface efflux decreased markedly above 80%. Thus, the utilization of LFG by forced extraction would be the good solution for global warming and air pollution by LFG.

  4. Formation of ordered gas-solid structures via solidification in metal-hydrogen systems

    SciTech Connect

    Shapovalov, V.I. |

    1998-12-31

    This work contains theoretical discussions concerning the large amount of previously published experimental data related to gas eutectic transformations in metal-hydrogen systems. Theories of pore nucleation and growth in these gas-solid materials will be presented and related to observed morphologies and structures. This work is intended to be helpful to theorists that work with metal-hydrogen systems, and experimentalists engaged in manufacturing technology development of these ordered gas-solid structures.

  5. A new continuous device to perform S-L-G photocatalytic studies. [Solid-Liquid-Gas

    SciTech Connect

    Aguado, M.A.; Gimenez, J.; Simarro, R.; Cervera-March, S. )

    1992-07-01

    A new experimental device to carry out solid-liquid-gas photocatalytic studies is presented. It can operate as a continuous system with respect to both the gas and the liquid phase. The solid photocatalyst is held inside the system and is continuously recycled through it to enable the separation of the spent liquid. Steady values of liquid and gas composition as well as temperature and fluidodynamic variables can be set and controlled.

  6. Gas-Phase Reactivity of Protonated 2-, 3-, and 4-Dehydropyridine Radicals Toward Organic Reagents

    NASA Astrophysics Data System (ADS)

    Adeuya, Anthony; Price, Jason M.; Jankiewicz, Bartłomiej J.; Nash, John J.; Kenttämaa, Hilkka I.

    2009-11-01

    To explore the effects of the electronic nature of charged phenyl radicals on their reactivity, reactions of the three distonic isomers of n-dehydropyridinium cation (n = 2, 3, or 4) have been investigated in the gas phase by using Fourier-transform ion cyclotron resonance mass spectrometry. All three isomers react with cyclohexane, methanol, ethanol, and 1-pentanol exclusively via hydrogen atom abstraction and with allyl iodide mainly via iodine atom abstraction, with a reaction efficiency ordering of 2 > 3 > 4. The observed reactivity ordering correlates well with the calculated vertical electron affinities of the charged radicals (i.e., the higher the vertical electron affinity, the faster the reaction). Charged radicals 2 and 3 also react with tetrahydrofuran exclusively via hydrogen atom abstraction, but the reaction of 4 with tetrahydrofuran yields products arising from nonradical reactivity. The unusual reactivity of 4 is likely to result from the contribution of an ionized carbene-type resonance structure that facilitates nucleophilic addition to the most electrophilic carbon atom (C-4) in this charged radical. The influence of such a resonance structure on the reactivity of 2 is not obvious, and this may be due to stabilizing hydrogen-bonding interactions in the transition states for this molecule. Charged radicals 2 and 3 abstract a hydrogen atom from the substituent in both phenol and toluene, but 4 abstracts a hydrogen atom from the phenyl ring, a reaction that is unprecedented for phenyl radicals. Charged radical 4 reacts with tert-butyl isocyanide mainly by hydrogen cyanide (HCN) abstraction, whereas CN abstraction is the principal reaction for 2 and 3. The different reactivity observed for 4 (as compared to 2 and 3) is likely to result from different charge and spin distributions of the reaction intermediates for these charged radicals.

  7. Gas-phase reactivity of protonated 2-, 3-, and 4-dehydropyridine radicals toward organic reagents.

    PubMed

    Adeuya, Anthony; Price, Jason M; Jankiewicz, Bartłomiej J; Nash, John J; Kenttämaa, Hilkka I

    2009-12-10

    To explore the effects of the electronic nature of charged phenyl radicals on their reactivity, reactions of the three distonic isomers of n-dehydropyridinium cation (n = 2, 3, or 4) have been investigated in the gas phase by using Fourier-transform ion cyclotron resonance mass spectrometry. All three isomers react with cyclohexane, methanol, ethanol, and 1-pentanol exclusively via hydrogen atom abstraction and with allyl iodide mainly via iodine atom abstraction, with a reaction efficiency ordering of 2 > 3 > 4. The observed reactivity ordering correlates well with the calculated vertical electron affinities of the charged radicals (i.e., the higher the vertical electron affinity, the faster the reaction). Charged radicals 2 and 3 also react with tetrahydrofuran exclusively via hydrogen atom abstraction, but the reaction of 4 with tetrahydrofuran yields products arising from nonradical reactivity. The unusual reactivity of 4 is likely to result from the contribution of an ionized carbene-type resonance structure that facilitates nucleophilic addition to the most electrophilic carbon atom (C-4) in this charged radical. The influence of such a resonance structure on the reactivity of 2 is not obvious, and this may be due to stabilizing hydrogen-bonding interactions in the transition states for this molecule. Charged radicals 2 and 3 abstract a hydrogen atom from the substituent in both phenol and toluene, but 4 abstracts a hydrogen atom from the phenyl ring, a reaction that is unprecedented for phenyl radicals. Charged radical 4 reacts with tert-butyl isocyanide mainly by hydrogen cyanide (HCN) abstraction, whereas CN abstraction is the principal reaction for 2 and 3. The different reactivity observed for 4 (as compared to 2 and 3) is likely to result from different charge and spin distributions of the reaction intermediates for these charged radicals. PMID:19902945

  8. Gaseous pollutants emitted from a mechanical biological treatment plant for municipal solid waste: odor assessment and photochemical reactivity.

    PubMed

    Fang, Jingjing; Zhang, Hua; Yang, Na; Shao, Liming; He, Pinjing

    2013-11-01

    The concentrations and chromatographic profiles of gaseous pollutants emitted from a municipal solid waste (MSW) biological treatment plant were investigated to identify the major odor substances and atmospheric photochemical reactive species (PRS). Four methods were used to measure different gaseous pollutants in this study, including colorimetric tubes, gas chromatography with mass spectrometry/flame ionization detection/pulsed flame photometric detection (GC-MS/FID/PFPD) preceded by cold trap concentration, GC-FID preceded by solid-phase microextraction (SPME), and high-performance liquid chromatography (HPLC) after derivation by 2,4-dinitrophenylhydrazine (DNPH). Seventy-five gaseous compounds belonging to nine groups (nitrogen compounds, sulfur compounds, alkanes, alkenes, aromatics, terpenes, alcohols, carbonyls, and volatile fatty acids [VFAs]) were identified. In the pre-biotreatment facility, the total concentration of the gaseous pollutants reached the maximum value on day 7 (317 ppm). During the post-biotreatment process, the total concentration of gaseous pollutants decreased from 331 ppm at the beginning to 162 ppm in the end. The group with the greatest decrease was carbonyls, from 64 to 7.4 ppm, followed by alcohols, from 40 to 4.5 ppm, which were both oxygenated compounds. The proportion of aromatics was notably high in the pre-mechanical treatment facility, accounting for 50.6% of the total, revealing the xenobiotic compounds disseminated by stirring and agitating the waste in the initial stage. The proportions of nitrogen compounds were lower in the pre- and post-mechanical treatment facilities (1.5% and 6.9%) than in the pre- and post-biotreatment facilities (11.9% and 13:8%), suggesting that their generation was closely associated with waste degradation. The major odor compounds in the facilities were acetic acid, butyric acid, valeric acid, isovaleric acid, and dimethyl sulfide. The major PRS in the facilities were aromatics, acetaldehyde

  9. Reactivity worth of gas expansion modules (GEMs) in the fast flux test facility

    SciTech Connect

    Campbell, L.R.; Nelson, J.V.; Burke, T.M.; Rawlins, J.A.; Daughtry, J.W.; Bennett, R.A.

    1986-01-01

    A new passive shutdown device called a gas expansion module (GEM) has been developed at Hanford Engineering Development Laboratory to insert negative reactivity during a primary system loss of flow in a liquid-metal reactor (LMR). A GEM is a hollow removable core component which is sealed at the top and open at the bottom. An argon gas bubble trapped inside the assembly expands when core inlet pressure decreases (caused by a flow reduction) and expels sodium from the assembly. The GEMs are designed so that the level of the liquid-sodium primary system coolant within a GEM is above the top of the core when the primary pumps are operating at full flow and is below the bottom of the core when the primary pumps are off. When a GEM is placed at the boundary of the core and radial reflector, the drop in sodium level increases core neutron leakage and inserts negative reactivity. The results of these measurements confirm the effectiveness of GEMs in adding negative reactivity in loss-of-flow situations. It follows, therefore, that the inherent safety of LMRs, comparable in size to the FFTF, can be enhanced by the use of GEMs.

  10. Tuning the Reactivity of a Cu/ZnO Nanocatalyst via Gas Phase Pressure

    NASA Astrophysics Data System (ADS)

    Martínez-Suárez, Luis; Frenzel, Johannes; Marx, Dominik; Meyer, Bernd

    2013-02-01

    By calculation of a thermodynamic phase diagram we provide an atomistic understanding of the morphological changes in ZnO-supported Cu nanocatalysts, which are subject to strong metal-support interactions, in response to the redox properties of the surrounding gas phase, i.e., depending on temperature and pressure. The reactivity, and thus the strong metal-support interactions, of this catalyst is traced back to a redox-state dependent occupation of delocalized ZnO substrate bands and localized Cu cluster states at the Fermi level. It is shown that at the conditions of industrial methanol synthesis complex electronic charge transfer processes across the metal-support interface, driven by morphological and electronic changes, explain the enhanced catalytic reactivity toward CO2.

  11. Tuning the reactivity of a Cu/ZnO nanocatalyst via gas phase pressure.

    PubMed

    Martínez-Suárez, Luis; Frenzel, Johannes; Marx, Dominik; Meyer, Bernd

    2013-02-22

    By calculation of a thermodynamic phase diagram we provide an atomistic understanding of the morphological changes in ZnO-supported Cu nanocatalysts, which are subject to strong metal-support interactions, in response to the redox properties of the surrounding gas phase, i.e., depending on temperature and pressure. The reactivity, and thus the strong metal-support interactions, of this catalyst is traced back to a redox-state dependent occupation of delocalized ZnO substrate bands and localized Cu cluster states at the Fermi level. It is shown that at the conditions of industrial methanol synthesis complex electronic charge transfer processes across the metal-support interface, driven by morphological and electronic changes, explain the enhanced catalytic reactivity toward CO(2). PMID:23473174

  12. Model for high rate gas flows in deformable and reactive porous beds

    SciTech Connect

    Weston, A M

    1985-01-08

    This report presents the development of a one dimensional planar Lagrange hydrodynamic computer model which describes the processes preceding detonation. The model treats gas flow, deflagration, and compaction in a porous bed of reactive material. The early part of deflagration to detonation experiment with porous HMX is simulated. Sensitivity of the simulation calculation to ignition and burn rate parameters is illustrated and discussed. The effects of changing the mean particle size of the porous material are investigated. There is widespread interest in runaway reaction hazards that may be associated with porosity in propellant and explosive materials. Experimentally, such reactions are initiated and observed in long, thick walled hollow tubes, filled with a granular porous bed of reactive material. We will present comparisons with an experiment on porous HMX to illustrate details of the model and to point out what we believe are important features of the observed phenomenon. A geometric finite element cell is devised that allows gas to flow through a compacting matrix. The experimental simulation considers the DDT process from initial squib burn through the onset of general matrix deflagration (convective burning), to the development of a fully dense compaction wave. While this simulation did not calculate turnover to detonation, it did illustrate that the transition occurred as soon as the compaction wave became fully dense. It is shown that deflagration and gas permeation lags compaction at the time of transition. This suggests that the actual transition involves an additional compaction dependent process. 18 references, 20 figures, 3 tables.

  13. Characteristics of M=0 Helicon Wave Plasmas in Reactive Gas Environment

    NASA Astrophysics Data System (ADS)

    Miyake, S.; Setsuhara, Y.; Sakawa, Y.; Shoji, T.

    1997-10-01

    Plasma production in various reactive gases are more important in the actual plasma processing of mateirals than those in rare gas environment. Characteristics of high density plasmas produced by the m=0 azimuthal mode helicon wave in reactive gases in a nonuniform magnetic field is studied experimentally. Loop antennas of several turns are wound on a quartz tube of 38mm diameter to excite the m=0 helicon wave with a 3kW rf oscillator of 13.56MHz. Plasma production is performed in various dissociative gases (H_2,N_2,O2 and/or CF_4) in the pressure range around 0.1Pa and the rf wave fields are measured to know the excitation of the helicon wave in these gases. The plasma density jump from the range of 10^11 cm-3 to 10^12-13 cm-3 is observed for each gas at a critical rf power, after which the excitation of helicon wave is verified to propagate. The optical emission measurements indicate an efficient dissociation of molecules after the density jump. As an example of application of this type of discharge, the DC discharge characteristics in N_2+Ar gas on the cylindrical carbon target set for the sputtering process in the down stream region is studied in correlation with the properties of the helicon wave plasmas.

  14. Experimental design for reflection measurements of highly reactive liquid or solid substances with application to liquid sodium. [LMFBR

    SciTech Connect

    Chan, S.H.; Gossler, A.A.

    1980-06-30

    This technical report describes the experimental part of a program on thermal radiation properties of reactor materials. A versatile goniometer system with associated electronic components and mechanical instruments has been assembled. It is designed to measure spectral, specular reflectances of highly reactive liquid or solid substances over a spectral range of 0.3 ..mu.. to 9 ..mu.. and incidence angles of 12/sup 0/ to 30/sup 0/ off the normal direction. The capability of measuring reflectances of liquid substances clearly distinguishes this experimental design from conventional systems which are applicable only to solid substances. This design has been used to measure the spectral, specular reflectance of liquid sodium and preliminary results obtained are compared with those of solid sodium measured by other investigators.

  15. An effusive molecular beam technique for studies of polyatomic gas-surface reactivity and energy transfer

    NASA Astrophysics Data System (ADS)

    Cushing, G. W.; Navin, J. K.; Valadez, L.; Johánek, V.; Harrison, I.

    2011-04-01

    An effusive molecular beam technique is described to measure alkane dissociative sticking coefficients, S(Tg, Ts; ϑ), on metal surfaces for which the impinging gas temperature, Tg, and surface temperature, Ts, can be independently varied, along with the angle of incidence, ϑ, of the impinging gas. Effusive beam experiments with Tg = Ts = T allow for determination of angle-resolved dissociative sticking coefficients, S(T; ϑ), which when averaged over the cos (ϑ)/π angular distribution appropriate to the impinging flux from a thermal ambient gas yield the thermal dissociative sticking coefficient, S(T). Nonequilibrium S(Tg, Ts; ϑ) measurements for which Tg ≠ Ts provide additional opportunities to characterize the transition state and gas-surface energy transfer at reactive energies. A resistively heated effusive molecular beam doser controls the Tg of the impinging gas striking the surface. The flux of molecules striking the surface from the effusive beam is determined from knowledge of the dosing geometry, chamber pressure, and pumping speed. Separate experiments with a calibrated leak serve to fix the chamber pumping speed. Postdosing Auger electron spectroscopy is used to measure the carbon of the alkyl radical reaction product that is deposited on the surface as a result of alkane dissociative sticking. As implemented in a typical ultrahigh vacuum chamber for surface analysis, the technique has provided access to a dynamic range of roughly 6 orders of magnitude in the initial dissociative sticking coefficient for small alkanes on Pt(111).

  16. The Scattering of Gas Atoms from Solid Surfaces

    ERIC Educational Resources Information Center

    Walton, Alan J.

    1977-01-01

    Traditional undergraduate courses in gas kinetic theory encourage the view that in all collisions between a gas atom and a surface, the angle of incidence of the gas atom equals its angle of reflection. This article illustrates and explains the incorrectness in assuming specular reflection and zero dwell time. (Author/MA)

  17. Laser studies of chemical dynamics at the gas-solid interface

    NASA Astrophysics Data System (ADS)

    Cavanagh, Richard R.; King, David S.

    The DOE funded research program Laser Studies of Chemical Dynamics at the Gas-Solid Interface has taken a detailed, microscopic view of molecules desorbed from surfaces in order to gain an understanding of energy flow and interaction potentials and how these control chemical reactivity at interfaces. Successful completion of these experiments required technical expertise both in surface science and laser-based molecular dynamics, a collaborative situation that exists in the NIST center for Atomic, Molecular and Optical Physics. During the three year period covered by this progress report, our goal was to use state-resolved techniques to examine a single chemisorption system in detail, and to observe how changes in the interaction potential or method of surface excitation are manifest in the desorption dynamics. The system chosen was NO/Pt(111). Studies were undertaken in which the effects on the NO-Pt interaction potential of coadsorbates--both weakly (CO) and strongly (NH(sub 3)) interacting-- could be examined. In addition, attempts were to be made to study non- equilibrium dynamics by using pulsed laser heating.

  18. GAS PHASE EXPOSURE HISTORY DERIVED FROM MATERIAL PHASE CONCENTRATION PROFILES USING SOLID PHASE MICRO-EXTRACTION

    EPA Science Inventory

    EPA Identifier: F8P31059
    Title: Gas Phase Exposure History Derived from Material Phase Concentration Profiles Using Solid Phase Micro-Extraction
    Fellow (Principal Investigator): Jonathan Lewis McKinney
    Institution: University of Missouri - ...

  19. How Properties of Solid Surfaces Modulate the Nucleation of Gas Hydrate

    PubMed Central

    Bai, Dongsheng; Chen, Guangjin; Zhang, Xianren; Sum, Amadeu K.; Wang, Wenchuan

    2015-01-01

    Molecular dynamics simulations were performed for CO2 dissolved in water near silica surfaces to investigate how the hydrophilicity and crystallinity of solid surfaces modulate the local structure of adjacent molecules and the nucleation of CO2 hydrates. Our simulations reveal that the hydrophilicity of solid surfaces can change the local structure of water molecules and gas distribution near liquid-solid interfaces, and thus alter the mechanism and dynamics of gas hydrate nucleation. Interestingly, we find that hydrate nucleation tends to occur more easily on relatively less hydrophilic surfaces. Different from surface hydrophilicity, surface crystallinity shows a weak effect on the local structure of adjacent water molecules and on gas hydrate nucleation. At the initial stage of gas hydrate growth, however, the structuring of molecules induced by crystalline surfaces are more ordered than that induced by amorphous solid surfaces. PMID:26227239

  20. DETERMINATION OF CHLOROETHENES IN ENVIRONMENTAL BIOLOGICAL SAMPLES USING GAS CHROMATOGRAPHY COUPLED WITH SOLID PHASE MICRO EXTRACTION

    EPA Science Inventory

    An analytical method has been developed to determine the chloroethene series, tetrachloroethene (PCE), trichloroethene (TCE),cisdichloroethene (cis-DCE) andtransdichloroethene (trans-DCE) in environmental biotreatment studies using gas chromatography coupled with a solid phase mi...

  1. THE IMPACT OF MUNICIPAL SOLID WASTE MANAGEMENT ON GREENHOUSE GAS EMISSIONS IN THE UNITED STATES

    EPA Science Inventory

    Technological advancements in United States (U.S.) municipal solid waste (MSW) disposal and a focus on the environmental advantages of integrated MSW management have greatly reduced the environmental impacts of MSW management, including greenhouse gas (GHG) emissions. This study ...

  2. Cluster Size Dependence of Etching by Reactive Gas Cluster Ion Beams

    SciTech Connect

    Toyoda, Noriaki; Yamada, Iaso

    2008-11-03

    Mass-selected reactive gas cluster ion beams (GCIB) were formed using a permanent magnetic filter. Irradiations of CO{sub 2} GCIB on amorphous carbon films and irradiations of SF{sub 6} and SF{sub 6}/Ar mixed GCIB on Si surfaces were performed to study the cluster size dependence on etching yields by reactive GCIB. The reactive sputtering yield of carbon by CO{sub 2} GCIB was almost ten times higher than that by Ar GCIB. In the case of (CO{sub 2}){sub 20000} GCIB with energy of 20 keV (1 eV/atom), it showed the high sputtering yield of 200 atoms/ion, however, there was little crater formation on the carbon surface. It is thought that very soft etching without crater formation would take place in this condition. In the case of SF{sub 6} GCIB on Si, the etching depth of Si showed maximum value when the fraction of SF{sub 6} to Ar was around 50%. As the etching yield was higher than pure SF{sub 6} GCIB, there was a strong ion assisted etching effects in the case of Ar/SF{sub 6} mixed cluster ion irradiations.

  3. Acoustic probe for solid-gas-liquid suspensions. 1998 annual progress report

    SciTech Connect

    Tavlarides, L.L.; Sangani, A.S.; Greenwood, M.S.

    1998-06-01

    'The proposed research will develop an acoustic probe for monitoring particle size and volume fraction in slurries in the absence and presence of gas. The goals are to commission and verify the probe components and system operation, develop theory for the forward and inverse problems for acoustic wave propagation through a three phase medium, and experimentally verify the theoretical analysis. The acoustic probe will permit measurement of solid content in gas-liquid-solid waste slurries in tanks across the DOE complex.'

  4. Solid Phase Microextraction On-Fiber Derivatization Using a Stable, Portable, and Reusable Pentafluorophenyl Hydrazine Standard Gas Generating Vial.

    PubMed

    Poole, Justen J; Grandy, Jonathan J; Gómez-Ríos, German A; Gionfriddo, Emanuela; Pawliszyn, Janusz

    2016-07-01

    Solid phase microextraction (SPME) on-fiber derivatization methods have facilitated the achievement of lower detection limits and targeted analysis of various substances that exhibit poor chromatographic behavior, thermal instability, or high reactivity while limiting the use of organic solvents. However, previously developed on-fiber derivatization methods have been hindered by poor loading reproducibility and standard lifetime due to derivatization reagent reactivity. In addition, this reactivity often results in these reagents demonstrating toxic effects, complicating handling and standard formulation. To address this, a reusable standard gas generating vial containing pentafluorophenyl hydrazine (PFPH) has been developed. With this development, SPME fibers can now be reproducibly loaded with derivatization reagent, from an easy to use and safe platform. Validation of the vial using C4-C9 linear aldehyde standards as target analytes demonstrated intrabatch vial reproducibility (2% relative standard deviation (RSD), n = 4), along with PFPH headspace stability over a period of 11 weeks, facilitating reduced reagent consumption due to standard longevity. In addition, reproducibility of the derivatization reaction was observed over 1 week (RSD < 9%), and the linear concentration range was evaluated using headspace extractions from aqueous aldehyde solutions (R(2) > 0.996, 10-200 ppb v/v). Finally, the PFPH-generating vial was applied to the monitoring of volatile aldehydes generated during meat spoilage, as well as an on-site application where the free and total concentration of formaldehyde was determined in car exhaust using a portable GC/MS. To the best of our knowledge, the standard gas generating vial proposed in this work is the first documented device for the long-term storage of reusable headspace standards for a reactive, toxic, and otherwise unstable derivatization reagent standard. PMID:27292013

  5. METHOD FOR VARIATION OF GRAIN SIZE IN STUDIES OF GAS-SOLID REACTIONS INVOLVING CAO

    EPA Science Inventory

    The paper describes a method for varying grain size in studies of gas-solid reactions involving CaO. (Note: Introducing grain size as an independent experimental variable should contribute to improved understanding of reactions in porous solids.) Calcining 1 micrometer CaCO3 part...

  6. DEVELOPMENT OF LOW-DIFFUSION FLUX-SPLITTING METHODS FOR DENSE GAS-SOLID FLOWS

    EPA Science Inventory

    The development of a class of low-diffusion upwinding methods for computing dense gas-solid flows is presented in this work. An artificial compressibility/low-Mach preconditioning strategy is developed for a hyperbolic two-phase flow equation system consisting of separate solids ...

  7. Fundamental equations of a mixture of gas and small spherical solid particles from simple kinetic theory.

    NASA Technical Reports Server (NTRS)

    Pai, S. I.

    1973-01-01

    The fundamental equations of a mixture of a gas and pseudofluid of small spherical solid particles are derived from the Boltzmann equation of two-fluid theory. The distribution function of the gas molecules is defined in the same manner as in the ordinary kinetic theory of gases, but the distribution function for the solid particles is different from that of the gas molecules, because it is necessary to take into account the different size and physical properties of solid particles. In the proposed simple kinetic theory, two additional parameters are introduced: one is the radius of the spheres and the other is the instantaneous temperature of the solid particles in the distribution of the solid particles. The Boltzmann equation for each species of the mixture is formally written, and the transfer equations of these Boltzmann equations are derived and compared to the well-known fundamental equations of the mixture of a gas and small solid particles from continuum theory. The equations obtained reveal some insight into various terms in the fundamental equations. For instance, the partial pressure of the pseudofluid of solid particles is not negligible if the volume fraction of solid particles is not negligible as in the case of lunar ash flow.

  8. Clustering Instability in Sedimenting Gas-Solid Suspensions and its Influence on Flow Properties.

    NASA Astrophysics Data System (ADS)

    Li, Xiaoqi; Yin, Xiaolong; Liu, Guodong

    2015-11-01

    It is well known that sedimentation or fluidization of solid particles through gas is unstable. Instability is usually recognized as particle clusters when the solid fraction is low, or as void `bubbles' when the solid volume fraction is high. Using particle-resolved numerical simulations, we studied cluster formation in gas-solid systems with gas-to-solid density ratio being 0.01 and 0.001. The particles are uniformly sized spheres with a terminal Re of 30. The solid fraction is 0.25. Up to 4808 particles were used such that the clustering phenomena can be adequately examined. In periodic computational domains whose lateral dimension is about eight particle diameters, nucleated particle clusters quickly coalesce and grow into traveling waves that span the entire width of the domain. Consequently, gas-solid drag is significantly increased compared to that in a homogeneous liquid-solid suspension, the lateral velocity variance is suppressed, and the particle velocity distributions are strongly non-Gaussian. When lateral dimension is increased to about thirty particle diameters, particle clusters never turn into width-spanning traveling waves. As results, the drag is similar to that in a homogeneous suspension, the lateral velocity variance is strongly enhanced and the vertical variance reduced, and particle velocity distributions are nearly Gaussian. These results suggest that the effect of particle clusters should be examined in domains with large lateral dimensions.

  9. Photochemical gas lasers and hybrid (solid/gas) blue-green femtosecond systems

    NASA Astrophysics Data System (ADS)

    Mikheev, L. D.; Tcheremiskine, V. I.; Uteza, O. P.; Sentis, M. L.

    2012-01-01

    The review summarizes milestones and major breakthrough results obtained in the course of the development of a photochemical method applied to optical excitation of gas lasers on electronic molecular transitions by radiation from such unconventional pump sources as high-temperature electrical discharges and strong shock waves in gas. It also describes principles and techniques applied in hybrid (solid/gas) high-intensity laser systems emitting in the blue-green spectral region, and discusses wavelength scaling of laser-matter interaction by the example of laser wake-field acceleration (LWFA), high-order harmonic generation (HHG) and “water window” soft X-ray lasers. One of the most significant results of the photochemical method development consists in emerging broad bandwidth lasers (XeF(C-A), Xe2Cl, and Kr2F) operating in the blue-green spectral range, which have potential for amplification of ultra-short (down to 10 fs) optical pulses towards the Petawatt peak power level. The main goal of this review is to argue that the active media of these lasers may provide a basis for the development of fs systems generating super-intense ultrashort laser pulses in the visible spectral range. Some specific hybrid schemes, comprising solid state front-ends and photodissociation XeF(C-A) power boosting amplifiers, are described. They are now under development at the Lasers Plasmas and Photonic Processes (LP3) Laboratory (Marseille, France), the P.N. Lebedev Physical Institute (Moscow, Russia) and the Institute of High-Current Electronics (Tomsk, Russia) with the aim of conducting proof-of-principle experiments. Some consequences of the visible-wavelength laser field interaction with matter are also surveyed to demonstrate advantages of short driver wavelength in the considered examples. One of the most important consequences is the possibility of coherent soft X-ray generation within the “water window” spectral range with the use of short wavelength driver pulses to

  10. Diesel-related hydrocarbons can dominate gas phase reactive carbon in megacities

    NASA Astrophysics Data System (ADS)

    Dunmore, R. E.; Hopkins, J. R.; Lidster, R. T.; Lee, J. D.; Evans, M. J.; Rickard, A. R.; Lewis, A. C.; Hamilton, J. F.

    2015-03-01

    Hydrocarbons are key precursors to two priority air pollutants, ozone and particulate matter. Those with two to seven carbons have historically been straightforward to observe and have been successfully reduced in many developed cities through air quality policy interventions. Longer chain hydrocarbons released from diesel vehicles are not considered explicitly as part of air quality strategies and there are few direct measurements of their gaseous abundance in the atmosphere. This study describes the chemically comprehensive and continuous measurements of organic compounds in a developed megacity (London), which demonstrate that on a seasonal median basis, diesel-related hydrocarbons represent only 20-30% of the total hydrocarbon mixing ratio but comprise more than 50% of the atmospheric hydrocarbon mass and are a dominant local source of secondary organic aerosols. This study shows for the first time that, 60% of the winter primary hydrocarbon hydroxyl radical reactivity is from diesel-related hydrocarbons and using the maximum incremental reactivity scale, we predict that they contribute up to 50% of the ozone production potential in London. Comparing real-world urban composition with regulatory emissions inventories in the UK and US highlights a previously unaccounted for but, very significant under-reporting of diesel related hydrocarbons; an underestimation of a factor ~ 4 for C9 species rising to a factor of over 70 for C12 during winter. These observations show that hydrocarbons from diesel vehicles can dominate gas phase reactive carbon in cities with high diesel fleet fractions. Future control of urban particulate matter and ozone in such locations requires a shift in policy focus onto gas phase hydrocarbons released from diesels as this vehicle type continues to displace gasoline world-wide.

  11. Diesel-related hydrocarbons can dominate gas phase reactive carbon in megacities

    NASA Astrophysics Data System (ADS)

    Dunmore, R. E.; Hopkins, J. R.; Lidster, R. T.; Lee, J. D.; Evans, M. J.; Rickard, A. R.; Lewis, A. C.; Hamilton, J. F.

    2015-09-01

    Hydrocarbons are key precursors to two priority air pollutants, ozone and particulate matter. Those with two to seven carbons have historically been straightforward to observe and have been successfully reduced in many developed cities through air quality policy interventions. Longer chain hydrocarbons released from diesel vehicles are not considered explicitly as part of air quality strategies and there are few direct measurements of their gaseous abundance in the atmosphere. This study describes the chemically comprehensive and continuous measurements of organic compounds in a developed megacity (London), which demonstrate that on a seasonal median basis, diesel-related hydrocarbons represent only 20-30 % of the total hydrocarbon mixing ratio but comprise more than 50 % of the atmospheric hydrocarbon mass and are a dominant local source of secondary organic aerosols. This study shows for the first time that 60 % of the winter primary hydrocarbon hydroxyl radical reactivity is from diesel-related hydrocarbons and using the maximum incremental reactivity scale, we predict that they contribute up to 50 % of the ozone production potential in London. Comparing real-world urban composition with regulatory emissions inventories in the UK and US highlights a previously unaccounted for, but very significant, under-reporting of diesel-related hydrocarbons; an underestimation of a factor ~4 for C9 species rising to a factor of over 70 for C12 during winter. These observations show that hydrocarbons from diesel vehicles can dominate gas phase reactive carbon in cities with high diesel fleet fractions. Future control of urban particulate matter and ozone in such locations requires a shift in policy focus onto gas phase hydrocarbons released from diesels as this vehicle type continues to displace gasoline world-wide.

  12. Rapid hydrogen gas generation using reactive thermal decomposition of uranium hydride.

    SciTech Connect

    Kanouff, Michael P.; Van Blarigan, Peter; Robinson, David B.; Shugard, Andrew D.; Gharagozloo, Patricia E.; Buffleben, George M.; James, Scott Carlton; Mills, Bernice E.

    2011-09-01

    Oxygen gas injection has been studied as one method for rapidly generating hydrogen gas from a uranium hydride storage system. Small scale reactors, 2.9 g UH{sub 3}, were used to study the process experimentally. Complimentary numerical simulations were used to better characterize and understand the strongly coupled chemical and thermal transport processes controlling hydrogen gas liberation. The results indicate that UH{sub 3} and O{sub 2} are sufficiently reactive to enable a well designed system to release gram quantities of hydrogen in {approx} 2 seconds over a broad temperature range. The major system-design challenge appears to be heat management. In addition to the oxidation tests, H/D isotope exchange experiments were performed. The rate limiting step in the overall gas-to-particle exchange process was found to be hydrogen diffusion in the {approx}0.5 {mu}m hydride particles. The experiments generated a set of high quality experimental data; from which effective intra-particle diffusion coefficients can be inferred.

  13. A new method for total OH reactivity measurements using a fast Gas Chromatographic Photo-Ionization Detector (GC-PID)

    NASA Astrophysics Data System (ADS)

    Nölscher, A. C.; Sinha, V.; Bockisch, S.; Klüpfel, T.; Williams, J.

    2012-05-01

    The primary and most important oxidant in the atmosphere is the hydroxyl radical (OH). Currently OH sinks, particularly gas phase reactions, are poorly constrained. One way to characterize the overall sink of OH is to measure directly the ambient loss rate of OH, the total OH reactivity. To date direct measurements of total OH reactivity have been either performed using a Laser Induced Fluorescence (LIF) system ("pump-and-probe" or "flow reactor") or the Comparative Reactivity Method (CRM) with a Proton Transfer Reaction Mass Spectrometer (PTR-MS). Both techniques require large, complex and expensive detection systems. This study presents a feasibility assessment for CRM total OH reactivity measurements using a new detector, a Gas Chromatographic Photo-Ionization Detector (GC-PID). Such a system is smaller, more portable, less power consuming and less expensive than other total OH reactivity measurement techniques. Total OH reactivity is measured by the CRM using a competitive reaction between a reagent (here pyrrole) with OH alone and in the presence of atmospheric reactive molecules. The new CRM method for total OH reactivity has been tested with parallel measurements of the GC-PID and the previously validated PTR-MS as detector for the reagent pyrrole during laboratory experiments, plant chamber and boreal field studies. Excellent agreement of both detectors was found when the GC-PID was operated under optimum conditions. Time resolution (60-70 s), sensitivity (LOD 3-6 s-1) and overall uncertainty (25% in optimum conditions) for total OH reactivity were equivalent to PTR-MS based total OH reactivity measurements. One drawback of the GC-PID system was the steady loss of sensitivity and accuracy during intensive measurements lasting several weeks, and a possible toluene interference. Generally, the GC-PID system has been shown to produce closely comparable results to the PTR-MS and thus in suitable environments (e.g. forests) it presents a viably economical

  14. Total OH reactivity measurements using a new fast Gas Chromatographic Photo-Ionization Detector (GC-PID)

    NASA Astrophysics Data System (ADS)

    Nölscher, A. C.; Sinha, V.; Bockisch, S.; Klüpfel, T.; Williams, J.

    2012-12-01

    The primary and most important oxidant in the atmosphere is the hydroxyl radical (OH). Currently OH sinks, particularly gas phase reactions, are poorly constrained. One way to characterize the overall sink of OH is to measure directly the ambient loss rate of OH, the total OH reactivity. To date, direct measurements of total OH reactivity have been either performed using a Laser-Induced Fluorescence (LIF) system ("pump-and-probe" or "flow reactor") or the Comparative Reactivity Method (CRM) with a Proton-Transfer-Reaction Mass Spectrometer (PTR-MS). Both techniques require large, complex and expensive detection systems. This study presents a feasibility assessment for CRM total OH reactivity measurements using a new detector, a Gas Chromatographic Photoionization Detector (GC-PID). Such a system is smaller, more portable, less power consuming and less expensive than other total OH reactivity measurement techniques. Total OH reactivity is measured by the CRM using a competitive reaction between a reagent (here pyrrole) with OH alone and in the presence of atmospheric reactive molecules. The new CRM method for total OH reactivity has been tested with parallel measurements of the GC-PID and the previously validated PTR-MS as detector for the reagent pyrrole during laboratory experiments, plant chamber and boreal field studies. Excellent agreement of both detectors was found when the GC-PID was operated under optimum conditions. Time resolution (60-70 s), sensitivity (LOD 3-6 s-1) and overall uncertainty (25% in optimum conditions) for total OH reactivity were similar to PTR-MS based total OH reactivity measurements. One drawback of the GC-PID system was the steady loss of sensitivity and accuracy during intensive measurements lasting several weeks, and a possible toluene interference. Generally, the GC-PID system has been shown to produce closely comparable results to the PTR-MS and thus in suitable environments (e.g. forests) it presents a viably economical

  15. REACTIVATION OF SOLIDS FROM FURNACE INJECTION OF LIMESTONE FOR SO2 CONTROL

    EPA Science Inventory

    The paper gives results of a characterization of post-furnace injection solids and flyash mixtures and their testing in a bench-scale reactor for the removal of SO2. Virtually no SO2 removal was observed with untreated solids. High SO2 capture occurred when the samples were hydra...

  16. Estimating production and consumption of solid reactive Fe phases in marine sediments from concentration profiles

    EPA Science Inventory

    1D diffusion models may be used to estimate rates of production and consumption of dissolved metabolites in marine sediments, but are applied less often to the solid phase. Here we used a numerical inverse method to estimate solid phase Fe(III) and Fe(II) consumption and product...

  17. Liquid and gas permeabilities of unsaturated municipal solid waste under compression

    NASA Astrophysics Data System (ADS)

    Stoltz, Guillaume; Gourc, Jean-Pierre; Oxarango, Laurent

    2010-10-01

    A novel set of experimental apparatus was designed and constructed to study the changes in the fluid-flow properties of municipal solid waste (MSW) related to the physical evolution of its structure under compression. The vertical liquid and gas permeabilities of MSW samples were measured in a laboratory-constructed cell termed an oedopermeameter. Another original device, a gas pycnometer, was employed to assess the volumetric gas content of the porous medium. Finally, the horizontal gas permeability of the compressed MSW sample was measured using another laboratory-constructed cell called a transmissivimeter. The results made it possible to characterise the intrinsic gas permeability as a function of porosity. Additionally, gas permeability measurements of samples with different liquid contents allowed the derivation of gas permeability correlations as functions of the physical parameters of the medium. A unique relationship was found between the gas permeability and the volumetric gas content.

  18. Greenhouse gas emission from soil amended with biochar made from hydrothermally carbonizing swine solids

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Biochar made from hydrothermally carbonizing swine solids was mixed with a 50/50 mixture of Norfolk Ap and E horizon at a rate of 20 g/kg. During the incubation period of 54 days, greenhouse gas (CO2 and N2O) emission fluxes were calculated by nonlinearly regressing time-series headspace gas concent...

  19. Ozone uptake on glassy, semi-solid and liquid organic matter and the role of reactive oxygen intermediates in atmospheric aerosol chemistry.

    PubMed

    Berkemeier, Thomas; Steimer, Sarah S; Krieger, Ulrich K; Peter, Thomas; Pöschl, Ulrich; Ammann, Markus; Shiraiwa, Manabu

    2016-05-14

    Heterogeneous and multiphase reactions of ozone are important pathways for chemical ageing of atmospheric organic aerosols. To demonstrate and quantify how moisture-induced phase changes can affect the gas uptake and chemical transformation of organic matter, we apply a kinetic multi-layer model to a comprehensive experimental data set of ozone uptake by shikimic acid. The bulk diffusion coefficients were determined to be 10(-12) cm(2) s(-1) for ozone and 10(-20) cm(2) s(-1) for shikimic acid under dry conditions, increasing by several orders of magnitude with increasing relative humidity (RH) due to phase changes from amorphous solid over semisolid to liquid. Consequently, the reactive uptake of ozone progresses through different kinetic regimes characterised by specific limiting processes and parameters. At high RH, ozone uptake is driven by reaction throughout the particle bulk; at low RH it is restricted to reaction near the particle surface and kinetically limited by slow diffusion and replenishment of unreacted organic molecules. Our results suggest that the chemical reaction mechanism involves long-lived reactive oxygen intermediates, likely primary ozonides or O atoms, which may provide a pathway for self-reaction and catalytic destruction of ozone at the surface. Slow diffusion and ozone destruction can effectively shield reactive organic molecules in the particle bulk from degradation. We discuss the potential non-orthogonality of kinetic parameters, and show how this problem can be solved by using comprehensive experimental data sets to constrain the kinetic model, providing mechanistic insights into the coupling of transport, phase changes, and chemical reactions of multiple species in complex systems. PMID:27095585

  20. Method and apparatus for the separation of a gas-solids mixture in a circulating fluidized bed reactor

    SciTech Connect

    Vimalchand, Pannalal; Liu, Guohai; Peng, WanWang

    2010-08-10

    The system of the present invention includes a centripetal cyclone for separating particulate material from a particulate laden gas solids stream. The cyclone includes a housing defining a conduit extending between an upstream inlet and a downstream outlet. In operation, when a particulate laden gas-solids stream passes through the upstream housing inlet, the particulate laden gas-solids stream is directed through the conduit and at least a portion of the solids in the particulate laden gas-solids stream are subjected to a centripetal force within the conduit.

  1. Vapor-liquid-solid epitaxial growth of Si1-xGex alloy nanowires. Composition dependence on precursor reactivity and morphology control for vertical forests

    DOE PAGESBeta

    Choi, S. G.; Manandhar, P.; Picraux, S. T.

    2015-07-07

    The growth of high-density group IV alloy nanowire forests is critical for exploiting their unique functionalities in many applications. Here, the compositional dependence on precursor reactivity and optimized conditions for vertical growth are studied for Si1- x Ge x alloy nanowires grown by the vapor-liquid-solid method. The nanowire composition versus gas partial-pressure ratio for germane-silane and germane-disilane precursor combinations is obtained at 350°C over a wide composition range (0.05 ≤ x ≤ 0.98) and a generalized model to predict composition for alloy nanowires is developed based on the relative precursor partial pressures and reactivity ratio. In combination with germane, silanemore » provides more precise compositional control at high Ge concentrations (x > 0.7), whereas disilane greatly increases the Si concentration for a given gas ratio and enables more precise alloy compositional control at small Ge concentrations (x < 0.3). Vertically oriented, non-kinking nanowire forest growth on Si (111) substrates is then discussed for silane/germane over a wide range of compositions, with temperature and precursor partial pressure optimized by monitoring the nanowire growth front using in-situ optical reflectance. For high Ge compositions (x ≈ 0.9), a “two-step” growth approach with nucleation at higher temperatures results in nanowires with high-density and uniform vertical orientation. Furthermore, increasing Si content (x ≈ 0.8), the optimal growth window is shifted to higher temperatures, which minimizes nanowire kinking morphologies. For Si-rich Si1- x Ge x alloys (x ≈ 0.25), vertical nanowire growth is enhanced by single-step, higher-temperature growth at reduced pressures.« less

  2. Vapor-liquid-solid epitaxial growth of Si1-xGex alloy nanowires: Composition dependence on precursor reactivity and morphology control for vertical forests

    NASA Astrophysics Data System (ADS)

    Choi, S. G.; Manandhar, P.; Picraux, S. T.

    2015-07-01

    Growth of high-density group IV alloy nanowire forests is critical for exploiting their unique functionalities in many applications. Here, the compositional dependence on precursor reactivity and optimized conditions for vertical growth are studied for Si1-xGex alloy nanowires grown by the vapor-liquid-solid method. The nanowire composition versus gas partial-pressure ratio for germane-silane and germane-disilane precursor combinations is obtained at 350 °C over a wide composition range (0.05 ≤ x ≤ 0.98) and a generalized model to predict composition for alloy nanowires is developed based on the relative precursor partial pressures and reactivity ratio. In combination with germane, silane provides more precise compositional control at high Ge concentrations (x > 0.7), whereas disilane greatly increases the Si concentration for a given gas ratio and enables more precise alloy compositional control at small Ge concentrations (x < 0.3). Vertically oriented, non-kinking nanowire forest growth on Si (111) substrates is then discussed for silane/germane over a wide range of compositions, with temperature and precursor partial pressure optimized by monitoring the nanowire growth front using in-situ optical reflectance. For high Ge compositions (x ≈ 0.9), a "two-step" growth approach with nucleation at higher temperatures results in nanowires with high-density and uniform vertical orientation. With increasing Si content (x ≈ 0.8), the optimal growth window is shifted to higher temperatures, which minimizes nanowire kinking morphologies. For Si-rich Si1-xGex alloys (x ≈ 0.25), vertical nanowire growth is enhanced by single-step, higher-temperature growth at reduced pressures.

  3. Rapid Carbonation for Calcite from a Solid-Liquid-Gas System with an Imidazolium-Based Ionic Liquid

    PubMed Central

    Ibrahim, Abdul-Rauf; Vuningoma, Jean Bosco; Huang, Yan; Wang, Hongtao; Li, Jun

    2014-01-01

    Aqueous carbonation of Ca(OH)2 is a complex process that produces calcite with scalenohedral calcite phases and characterized by inadequate carbonate species for effective carbonation due to the poor dissolution of CO2 in water. Consequently, we report a solid-liquid-gas carbonation system with an ionic liquid (IL), 1-butyl-3-methylimidazolium bromide, in view of enhancing the reaction of CO2 with Ca(OH)2. The use of the IL increased the solubility of CO2 in the aqueous environment and enhanced the transport of the reactive species (Ca2+ and CO32−) and products. The presence of the IL also avoided the formation of the CaCO3 protective and passivation layer and ensured high carbonation yields, as well as the production of stoichiometric rhombohedral calcite phases in a short time. PMID:24968273

  4. Ionized gas (plasma) delivery of reactive oxygen species (ROS) into artificial cells

    NASA Astrophysics Data System (ADS)

    Hong, Sung-Ha; Szili, Endre J.; Jenkins, A. Toby A.; Short, Robert D.

    2014-09-01

    This study was designed to enhance our understanding of how reactive oxygen species (ROS), generated ex situ by ionized gas (plasma), can affect the regulation of signalling processes within cells. A model system, comprising of a suspension of phospholipid vesicles (cell mimics) encapsulating a ROS reporter, was developed to study the plasma delivery of ROS into cells. For the first time it was shown that plasma unequivocally delivers ROS into cells over a sustained period and without compromising cell membrane integrity. An important consideration in cell and biological assays is the presence of serum, which significantly reduced the transfer efficiency of ROS into the vesicles. These results are key to understanding how plasma treatments can be tailored for specific medical or biotechnology applications. Further, the phospholipid vesicle ROS reporter system may find use in other studies involving the application of free radicals in biology and medicine.

  5. Suppression of Tritium Retention in Remote Areas of ITER by Nonperturbative Reactive Gas Injection

    SciTech Connect

    Tabares, F. L.; Ferreira, J. A.; Ramos, A.; Rooij, G. van; Westerhout, J.; Al, R.; Rapp, J.; Drenik, A.; Mozetic, M.

    2010-10-22

    A technique based on reactive gas injection in the afterglow region of the divertor plasma is proposed for the suppression of tritium-carbon codeposits in remote areas of ITER when operated with carbon-based divertor targets. Experiments in a divertor simulator plasma device indicate that a 4 nm/min deposition can be suppressed by addition of 1 Pa{center_dot}m{sup 3} s{sup -1} ammonia flow at 10 cm from the plasma. These results bolster the concept of nonperturbative scavenger injection for tritium inventory control in carbon-based fusion plasma devices, thus paving the way for ITER operation in the active phase under a carbon-dominated, plasma facing component background.

  6. Reactive gas plasma specimen processing for use in microanalysis and imaging in analytical electron microscopy

    SciTech Connect

    Zaluzec, N.J.; Kestel, B.J.; Henriks, D.

    1997-01-01

    It has long been the bane of analytical electron microscopy (AEM) that the use of focused probes during microanalysis of specimens increases the local rate of hydrocarbon contamination. This is most succinctly observed by the formation of contamination deposits during focused probe work typical of AEM studies. While serving to indicate the location of the electron probe, the contamination obliterates the area of the specimen being analyzed and adversely affects all quantitative microanalysis methodologies. A variety of methods including: UV, electron beam flooding, heating and/or cooling can decrease the rate of contamination, however, none of these methods directly attack the source of specimen borne contamination. Research has shown that reactive gas plasmas may be used to clean both the specimen and stage for AEM, in this study the authors report on quantitative measurements of the reduction in contamination rates in an AEM as a function of operating conditions and plasma gases.

  7. Structure and reactivity of benzoylnitrene radical anion in the gas phase.

    PubMed

    Wijeratne, Neloni R; Wenthold, Paul G

    2007-12-01

    The open-shell benzoylnitrene radical anion, readily generated by electron ionization of benzoylazide, undergoes unique chemical reactivity with radical reagents and Lewis acids in the gas phase. Reaction with nitric oxide, NO, proceeds by loss of N2 and formation of benzoate ion. This novel reaction is also observed to occur with phenylnitrene anion, forming phenoxide. Similar reactivity was observed in the reaction between benzoylnitrene radical anion and NO2, forming benzoate ion and nitrous oxide. Electronic structure calculations indicate that the reaction has a high-energy barrier that is overcome by the energy released by bond formation. Benzoylnitrene radical anion also transfers oxygen anion to NO and NO2 as well as to CS2 and SO2. In contrast, phenylnitrene anion reacts with carbon disulfide by C+ or CS+ abstraction, forming S- or S2-. Electronic structure calculations indicate that benzoylnitrene in the ground state resembles a slightly polarized benzoate anion, but with a free radical localized on the nitrogen. PMID:18001090

  8. Accommodative Behavior of Non-porous Molecular crystal at Solid-Gas and Solid-Liquid Interface

    PubMed Central

    Mande, Hemant M.; Ghalsasi, Prasanna S.

    2015-01-01

    Molecular crystals demonstrate drastically different behavior in solid and liquid state, mainly due to their difference in structural frameworks. Therefore, designing of unique structured molecular compound which can work at both these interfaces has been a challenge. Here, we present remarkable ‘molecular’ property by non-porous molecular solid crystal, dinuclear copper complex (C6H5CH(X)NH2)2CuCl2, to reversibly ‘adsorb’ HCl gas at solid-gas interface as well as ‘accommodate’ azide anion at solid-liquid interface with crystal to crystal transformation. The latter process is driven by molecular recognition, self-assembly, and anchimeric assistance. The observed transformations are feasible due to breathing of inner and outer coordination sphere around metal center resulting in change in metal polyhedra for ‘accommodating’ guest molecule. These transformations cause changes in optical, magnetic, and/or ferroelectric property offering diversity in ‘sensing’ application. With the proposed underlying principles in these exceptional reversible and cyclic transformations, we prepared a series of compounds, can facilitate designing of novel multifunctional molecular materials. PMID:26411980

  9. Silicon oxynitride thin films synthesised by the reactive gas pulsing process using rectangular pulses

    NASA Astrophysics Data System (ADS)

    Aubry, E.; Weber, S.; Billard, A.; Martin, N.

    2011-09-01

    Silicon oxynitride thin films were synthesised by the reactive gas pulsing process using an argon, oxygen and nitrogen gas mixture from a semiconductor Si target. Argon and nitrogen were introduced at a constant mass flow rate, whereas oxygen gas was periodically supplied using a rectangular pulsed flow rate. The O2 injection time TON (or duty cycle α) was the only varied parameter. The influences of this parameter on the discharge behaviour, on the Si target voltage, and on the resulting chemical composition of the films were investigated. The temporal evolution of the total pressure exhibits exponential shape differing from the rectangular oxygen pulse shape, due to the response time of the gas flowmeter and to the progressive oxidation of the target and the chamber walls. During the TON time, the preferential adsorption of the introduced O2 induces a decay in Si target voltage. Reversion to the nitrided mode is still possible as soon as the O2 injection is stopped. The elemental analyses assessed by secondary neutral mass spectrometry (SNMS) showed that the O/N ratio within silicon oxynitride films linearly depends on the TON time. Increasing the duty cycle α over a certain value results in an oxidised steady state formation during the TON time. This formation was observed by real time measurements of the emission lines ratio I(O*)/I(Ar*) indicative of the O2 partial pressure and confirmed by the time derivative of the target voltage. During the TOFF time, the alternation with the nitrided mode becomes impossible, leading to the specific synthesis of stoichiometric SiO2 films.

  10. Assessment of alternative disposal methods to reduce greenhouse gas emissions from municipal solid waste in India.

    PubMed

    Yedla, Sudhakar; Sindhu, N T

    2016-06-01

    Open dumping, the most commonly practiced method of solid waste disposal in Indian cities, creates serious environment and economic challenges, and also contributes significantly to greenhouse gas emissions. The present article attempts to analyse and identify economically effective ways to reduce greenhouse gas emissions from municipal solid waste. The article looks at the selection of appropriate methods for the control of methane emissions. Multivariate functional models are presented, based on theoretical considerations as well as the field measurements to forecast the greenhouse gas mitigation potential for all the methodologies under consideration. Economic feasibility is tested by calculating the unit cost of waste disposal for the respective disposal process. The purpose-built landfill system proposed by Yedla and Parikh has shown promise in controlling greenhouse gas and saving land. However, these studies show that aerobic composting offers the optimal method, both in terms of controlling greenhouse gas emissions and reducing costs, mainly by requiring less land than other methods. PMID:27118738

  11. Defect-related relaxation processes in irradiated rare gas solids

    NASA Astrophysics Data System (ADS)

    Savchenko, E. V.; Grigorashchenko, O. N.; Gumenchuk, G. B.; Ogurtsov, A. N.; Frankowski, M.; Smith-Gicklhorn, A. M.; Bondybey, V. E.

    Electronic and atomic relaxation processes in preirradiated solid Ar doped with N-2 were studied with a focus on the role of radiative electronic transitions in relaxation cascades. Combining methods of activation spectroscopy - thermally stimulated and photon-stimulated exoelectron emission, a new channel of relaxation induced by photon emission from metastable N atoms was detected. It was shown that in insulating materials with a wide conduction band photons of visible range can release electrons from both kinds of traps - shallow (lattice defects) and deep thermally disconnected ones. Correlation in the charge recombination reaction yield and the yield of low temperature desorption - important relaxation channel in a preirradiated solid - clearly demonstrates interconnection between atomic and electronic processes of relaxation.

  12. Production of amylases from rice by solid-state fermentation in a gas-solid spouted-Bed bioreactor

    PubMed

    Silva; Yang

    1998-07-01

    A gas-solid spouted-bed bioreactor was developed to produce amylases from rice in solid-state fermentation by Aspergillus oryzae. The spouted-bed bioreactor was developed to overcome many of the problems inherent to large-scale solid-state fermentation, including mass- and heat-transfer limitations in the conventional tray reactors and solids-handling difficulties seen in packed-bed bioreactors. The solid-state fermentation results from the tray-type reactor with surface aeration were poor because of mass- and heat-transfer problems. A packed-bed bioreactor with continuous aeration through the rice bed produced high protein and enzymes, but the fermented rice was difficult to remove and process due to the formation of large chunks of rice aggregates knitted together with fungal mycelia. Also, the fermentation was not uniform in the packed bed. The spouted-bed bioreactor with intermittent spouting with air achieved high production levels in both total protein and enzymes (alpha-amylase, beta-amylase, and glucoamylase) that were comparable to those found in the packed-bed bioreactor, but without the nonuniformity and solids-handling problems. However, continual spouting was found to be detrimental to this solid-state fermentation, possibly because of shear or impact damage to fungal mycelia during spouting. Increasing spouting frequency from 4-h intervals to 1-h intervals decreased protein and enzyme production. Other operating conditions critical to the fermentation include proper humidification to prevent drying of the substrate and control of reactor wall temperature to prevent excessive condensation, which would interfere with proper spouting. PMID:9694679

  13. Gas-phase structure and reactivity of the keto tautomer of the deoxyguanosine radical cation.

    PubMed

    Feketeová, Linda; Chan, Bun; Khairallah, George N; Steinmetz, Vincent; Maître, Philippe; Radom, Leo; O'Hair, Richard A J

    2015-10-21

    Guanine radical cations are formed upon oxidation of DNA. Deoxyguanosine (dG) is used as a model, and the gas-phase infrared (IR) spectroscopic signature and gas-phase unimolecular and bimolecular chemistry of its radical cation, dG˙(+), A, which is formed via direct electrospray ionisation (ESI/MS) of a methanolic solution of Cu(NO3)2 and dG, are examined. Quantum chemistry calculations have been carried out on 28 isomers and comparisons between their calculated IR spectra and the experimentally-measured spectra suggest that A exists as the ground-state keto tautomer. Collision-induced dissociation (CID) of A proceeds via cleavage of the glycosidic bond, while its ion–molecule reactions with amine bases occur via a number of pathways including hydrogen-atom abstraction, proton transfer and adduct formation. A hidden channel, involving isomerisation of the radical cation via adduct formation, is revealed through the use of two stages of CID, with the final stage of CID showing the loss of CH2O as a major fragmentation pathway from the reformed radical cation, dG˙(+). Quantum chemistry calculations on the unimolecular and bimolecular reactivity are also consistent with A being present as a ground-state keto tautomer. PMID:25942055

  14. Fictitious domain method for fully resolved reacting gas-solid flow simulation

    NASA Astrophysics Data System (ADS)

    Zhang, Longhui; Liu, Kai; You, Changfu

    2015-10-01

    Fully resolved simulation (FRS) for gas-solid multiphase flow considers solid objects as finite sized regions in flow fields and their behaviours are predicted by solving equations in both fluid and solid regions directly. Fixed mesh numerical methods, such as fictitious domain method, are preferred in solving FRS problems and have been widely researched. However, for reacting gas-solid flows no suitable fictitious domain numerical method has been developed. This work presents a new fictitious domain finite element method for FRS of reacting particulate flows. Low Mach number reacting flow governing equations are solved sequentially on a regular background mesh. Particles are immersed in the mesh and driven by their surface forces and torques integrated on immersed interfaces. Additional treatments on energy and surface reactions are developed. Several numerical test cases validated the method and a burning carbon particles array falling simulation proved the capability for solving moving reacting particle cluster problems.

  15. Evaluation of wall boundary condition parameters for gas-solids fluidized bed simulations

    SciTech Connect

    Li, Tingwen; Benyahia, Sofiane

    2013-10-01

    Wall boundary conditions for the solids phase have significant effects on numerical predictions of various gas-solids fluidized beds. Several models for the granular flow wall boundary condition are available in the open literature for numerical modeling of gas-solids flow. In this study, a model for specularity coefficient used in Johnson and Jackson boundary conditions by Li and Benyahia (AIChE Journal, 2012, 58, 2058-2068) is implemented in the open-source CFD code-MFIX. The variable specularity coefficient model provides a physical way to calculate the specularity coefficient needed by the partial-slip boundary conditions for the solids phase. Through a series of 2-D numerical simulations of bubbling fluidized bed and circulating fluidized bed riser, the model predicts qualitatively consistent trends to the previous studies. Furthermore, a quantitative comparison is conducted between numerical results of variable and constant specularity coefficients to investigate the effect of spatial and temporal variations in specularity coefficient.

  16. Fault reactivation and seismicity risk from CO2 sequestration in the Chinshui gas field, NW Taiwan

    NASA Astrophysics Data System (ADS)

    Sung, Chia-Yu; Hung, Jih-Hao

    2015-04-01

    The Chinshui gas field located in the fold-thrust belt of western Taiwan was a depleted reservoir. Recently, CO2 sequestration has been planned at shallower depths of this structure. CO2 injection into reservoir will generate high fluid pressure and trigger slip on reservoir-bounding faults. We present detailed in-situ stresses from deep wells in the Chinshui gas field and evaluated the risk of fault reactivation for underground CO2 injection. The magnitudes of vertical stress (Sv), formation pore pressure (Pf) and minimum horizontal stress (Shmin) were obtained from formation density logs, repeat formation tests, sonic logs, mud weight, and hydraulic fracturing including leak-off tests and hydraulic fracturing. The magnitude of maximum horizontal stress (SHmax) was constrained by frictional limit of critically stressed faults. Results show that vertical stress gradient is about 23.02 MPa/km (1.02 psi/ft), and minimum horizontal stress gradient is 18.05 MPa/km (0.80 psi/ft). Formation pore pressures were hydrostatic at depths 2 km, and increase with a gradient of 16.62 MPa/km (0.73 psi/ft). The ratio of fluid pressure and overburden pressure (λp) is 0.65. The upper bound of maximum horizontal stress constrained by strike-slip fault stress regime (SHmax>Sv>Shmin) and coefficient of friction (μ=0.6) is about 18.55 MPa/km (0.82 psi/ft). The orientation of maximum horizontal stresses was calculated from four-arm caliper tools through the methodology suggested by World Stress Map (WMS). The mean azimuth of preferred orientation of borehole breakouts are in ~65。N. Consequently, the maximum horizontal stress axis trends in 155。N and sub-parallel to the far-field plate-convergence direction. Geomechanical analyses of the reactivation of pre-existing faults was assessed using 3DStress and Traptester software. Under current in-situ stress, the middle block fault has higher slip tendency, but still less than frictional coefficient of 0.6 a common threshold value for

  17. Aqueous extractive upgrading of bio-oils created by tail-gas reactive pyrolysis to produce pure hydrocarbons and phenols

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Tail-gas reactive pyrolysis (TGRP) of biomass produces bio-oil that is lower in oxygen (~15 wt% total) and significantly more hydrocarbon-rich than traditional bio-oils or even catalytic fast pyrolysis. TGRP bio-oils lend themselves toward mild and inexpensive upgrading procedures. We isolated oxyge...

  18. Distillation and isolation of commodity chemicals from Bio-oil made by tail-gas reactive prolysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Owing to instabilities, very little has been accomplished with regards to simple cost-effective separations of fast-pyrolysis bio-oil. However, recent developments in the use of tail-gas reactive pyrolysis (TGRP) (Mullen and Boateng 2013) provide higher quality bio-oils that are thermally stable. We...

  19. Pulsed flashover of solid dielectric materials in compressed gas environment

    SciTech Connect

    Tewari, Somesh Vinayak E-mail: svtewari@barc.gov.in; Sharma, Archana; Mittal, K. C.

    2015-06-24

    An experimental investigation of surface flashover characteristics of PMMA and POM is studied in compressed nitrogen gas environment with nitrogen as the background gas. The operating pressure range is from 1kg/cm{sup 2} to 4kg/cm{sup 2}. It is observed that the breakdown voltage of PMMA is higher than POM owing to a higher permittivity mismatch between POM- nitrogen interface as compared to the PMMA- nitrogen interface. The reduction in spacer efficiency with pressure for PMMA is 11% as compared to POM which shows a higher reduction of 18%. This paper further emphasizes on the role of energy level and density of charge carrier trapping centers for a reduced breakdown voltage in POM as compared to PMMA.

  20. Variation of the reactivity of solids near the interface reagent-product of the topochemical reaction

    NASA Astrophysics Data System (ADS)

    Boldyrev, V. V.; Lomovsky, O. I.; Zaikova, T. O.; Gavrilov, E. F.

    1984-01-01

    During the topochemical decomposition of ammonium perchlorate and copper hypophosphite an enhanced acid concentration occurs near the reagent-product interface. Concentration profiles of the acid were observed after the treatment of the partially decomposed crystals by indicator solution and by microphotometry. Profiles exhibit the diffusive characteristics. The diffusion coefficient is 10 -10 cm 2/sec for ammonium perchlorate and 10 -9 cm 2/sec for copper hypophosphite at 20°C. It is concluded that the variation of the reactivity near the interface is due to the enhanced acid concentration.

  1. Sequestration of flue gas CO₂ by direct gas-solid carbonation of air pollution control system residues.

    PubMed

    Tian, Sicong; Jiang, Jianguo

    2012-12-18

    Direct gas-solid carbonation reactions of residues from an air pollution control system (APCr) were conducted using different combinations of simulated flue gas to study the impact on CO₂ sequestration. X-ray diffraction analysis of APCr determined the existence of CaClOH, whose maximum theoretical CO₂ sequestration potential of 58.13 g CO₂/kg APCr was calculated by the reference intensity ratio method. The reaction mechanism obeyed a model of a fast kinetics-controlled process followed by a slow product layer diffusion-controlled process. Temperature is the key factor in direct gas-solid carbonation and had a notable influence on both the carbonation conversion and the CO₂ sequestration rate. The optimal CO₂ sequestrating temperature of 395 °C was easily obtained for APCr using a continuous heating experiment. CO₂ content in the flue gas had a definite influence on the CO₂ sequestration rate of the kinetics-controlled process, but almost no influence on the final carbonation conversion. Typical concentrations of SO₂ in the flue gas could not only accelerate the carbonation reaction rate of the product layer diffusion-controlled process, but also could improve the final carbonation conversion. Maximum carbonation conversions of between 68.6% and 77.1% were achieved in a typical flue gas. Features of rapid CO₂ sequestration rate, strong impurities resistance, and high capture conversion for direct gas-solid carbonation were proved in this study, which presents a theoretical foundation for the applied use of this encouraging technology on carbon capture and storage. PMID:23181908

  2. Rapid estimate of solid volume in large tuff cores using a gas pycnometer

    SciTech Connect

    Thies, C.; Geddis, A.M.; Guzman, A.G.

    1996-09-01

    A thermally insulated, rigid-volume gas pycnometer system has been developed. The pycnometer chambers have been machined from solid PVC cylinders. Two chambers confine dry high-purity helium at different pressures. A thick-walled design ensures minimal heat exchange with the surrounding environment and a constant volume system, while expansion takes place between the chambers. The internal energy of the gas is assumed constant over the expansion. The ideal gas law is used to estimate the volume of solid material sealed in one of the chambers. Temperature is monitored continuously and incorporated into the calculation of solid volume. Temperature variation between measurements is less than 0.1{degrees}C. The data are used to compute grain density for oven-dried Apache Leap tuff core samples. The measured volume of solid and the sample bulk volume are used to estimate porosity and bulk density. Intrinsic permeability was estimated from the porosity and measured pore surface area and is compared to in-situ measurements by the air permeability method. The gas pycnometer accommodates large core samples (0.25 m length x 0.11 m diameter) and can measure solid volume greater than 2.20 cm{sup 3} with less than 1% error.

  3. Prediction of Ablation Rates from Solid Surfaces Exposed to High Temperature Gas Flow

    NASA Technical Reports Server (NTRS)

    Akyuzlu, Kazim M.; Coote, David

    2013-01-01

    A mathematical model and a solution algorithm is developed to study the physics of high temperature heat transfer and material ablation and identify the problems associated with the flow of hydrogen gas at very high temperatures and velocities through pipes and various components of Nuclear Thermal Rocket (NTR) motors. Ablation and melting can be experienced when the inner solid surface of the cooling channels and the diverging-converging nozzle of a Nuclear Thermal Rocket (NTR) motor is exposed to hydrogen gas flow at temperatures around 2500 degrees Kelvin and pressures around 3.4 MPa. In the experiments conducted on typical NTR motors developed in 1960s, degradation of the cooling channel material (cracking in the nuclear fuel element cladding) and in some instances melting of the core was observed. This paper presents the results of a preliminary study based on two types of physics based mathematical models that were developed to simulate the thermal-hydrodynamic conditions that lead to ablation of the solid surface of a stainless steel pipe exposed to high temperature hydrogen gas near sonic velocities. One of the proposed models is one-dimensional and assumes the gas flow to be unsteady, compressible and viscous. An in-house computer code was developed to solve the conservations equations of this model using a second-order accurate finite-difference technique. The second model assumes the flow to be three-dimensional, unsteady, compressible and viscous. A commercial CFD code (Fluent) was used to solve the later model equations. Both models assume the thermodynamic and transport properties of the hydrogen gas to be temperature dependent. In the solution algorithm developed for this study, the unsteady temperature of the pipe is determined from the heat equation for the solid. The solid-gas interface temperature is determined from an energy balance at the interface which includes heat transfer from or to the interface by conduction, convection, radiation, and

  4. Strategy for understanding gas-solid riser hydrodynamics and other LANL status items

    SciTech Connect

    Kashiwa, B. A.

    2002-01-01

    The talk presents the status of work in progress in the area of momentum transport theory in turbulent gas-solid multiphase flow. Previous installments have reported details of the theory, and validation results. This talk provides a grand overview of how the details of dynamic simulations in 3D, 2D, 1D and 0D, all fit together to form a consistent strategy for understanding gas-solid riser hydrodynamics. The circulating fluidized bed is the canonical example for showing how the strategy works. Performance of the procedure is shown by comparison to data recently obtained by Sandia National Laboratory. Status of other LANL efforts is also mentioned.

  5. Flow Mapping in a Gas-Solid Riser via Computer Automated Radioactive Particle Tracking (CARPT)

    SciTech Connect

    Muthanna Al-Dahhan; Milorad P. Dudukovic; Satish Bhusarapu; Timothy J. O'hern; Steven Trujillo; Michael R. Prairie

    2005-06-04

    Statement of the Problem: Developing and disseminating a general and experimentally validated model for turbulent multiphase fluid dynamics suitable for engineering design purposes in industrial scale applications of riser reactors and pneumatic conveying, require collecting reliable data on solids trajectories, velocities ? averaged and instantaneous, solids holdup distribution and solids fluxes in the riser as a function of operating conditions. Such data are currently not available on the same system. Multiphase Fluid Dynamics Research Consortium (MFDRC) was established to address these issues on a chosen example of circulating fluidized bed (CFB) reactor, which is widely used in petroleum and chemical industry including coal combustion. This project addresses the problem of lacking reliable data to advance CFB technology. Project Objectives: The objective of this project is to advance the understanding of the solids flow pattern and mixing in a well-developed flow region of a gas-solid riser, operated at different gas flow rates and solids loading using the state-of-the-art non-intrusive measurements. This work creates an insight and reliable database for local solids fluid-dynamic quantities in a pilot-plant scale CFB, which can then be used to validate/develop phenomenological models for the riser. This study also attempts to provide benchmark data for validation of Computational Fluid Dynamic (CFD) codes and their current closures. Technical Approach: Non-Invasive Computer Automated Radioactive Particle Tracking (CARPT) technique provides complete Eulerian solids flow field (time average velocity map and various turbulence parameters such as the Reynolds stresses, turbulent kinetic energy, and eddy diffusivities). It also gives directly the Lagrangian information of solids flow and yields the true solids residence time distribution (RTD). Another radiation based technique, Computed Tomography (CT) yields detailed time averaged local holdup profiles at

  6. Si substrates texturing and vapor-solid-solid Si nanowhiskers growth using pure hydrogen as source gas

    NASA Astrophysics Data System (ADS)

    Nordmark, H.; Nagayoshi, H.; Matsumoto, N.; Nishimura, S.; Terashima, K.; Marioara, C. D.; Walmsley, J. C.; Holmestad, R.; Ulyashin, A.

    2009-02-01

    Scanning and transmission electron microscopies have been used to study silicon substrate texturing and whisker growth on Si substrates using pure hydrogen source gas in a tungsten hot filament reactor. Substrate texturing, in the nanometer to micrometer range of mono- and as-cut multicrystalline silicon, was observed after deposition of WSi2 particles that acted as a mask for subsequent hydrogen radical etching. Simultaneous Si whisker growth was observed for long residence time of the source gas and low H2 flow rate with high pressure. The whiskers formed via vapor-solid-solid growth, in which the deposited WSi2 particles acted as catalysts for a subsequent metal-induced layer exchange process well below the eutectic temperature. In this process, SiHx species, formed by substrate etching by the H radicals, diffuse through the metal particles. This leads to growth of crystalline Si whiskers via metal-induced solid-phase crystallization. Transmission electron microscopy, electron diffraction, and x-ray energy dispersive spectroscopy were used to study the WSi2 particles and the structure of the Si substrates in detail. It has been established that the whiskers are partly crystalline and partly amorphous, consisting of pure Si with WSi2 particles on their tips as well as sometimes being incorporated into their structure.

  7. Si substrates texturing and vapor-solid-solid Si nanowhiskers growth using pure hydrogen as source gas

    SciTech Connect

    Nordmark, H.; Holmestad, R.; Nagayoshi, H.; Matsumoto, N.; Nishimura, S.; Terashima, K.; Marioara, C. D.; Walmsley, J. C.; Ulyashin, A.

    2009-02-15

    Scanning and transmission electron microscopies have been used to study silicon substrate texturing and whisker growth on Si substrates using pure hydrogen source gas in a tungsten hot filament reactor. Substrate texturing, in the nanometer to micrometer range of mono- and as-cut multicrystalline silicon, was observed after deposition of WSi{sub 2} particles that acted as a mask for subsequent hydrogen radical etching. Simultaneous Si whisker growth was observed for long residence time of the source gas and low H{sub 2} flow rate with high pressure. The whiskers formed via vapor-solid-solid growth, in which the deposited WSi{sub 2} particles acted as catalysts for a subsequent metal-induced layer exchange process well below the eutectic temperature. In this process, SiH{sub x} species, formed by substrate etching by the H radicals, diffuse through the metal particles. This leads to growth of crystalline Si whiskers via metal-induced solid-phase crystallization. Transmission electron microscopy, electron diffraction, and x-ray energy dispersive spectroscopy were used to study the WSi{sub 2} particles and the structure of the Si substrates in detail. It has been established that the whiskers are partly crystalline and partly amorphous, consisting of pure Si with WSi{sub 2} particles on their tips as well as sometimes being incorporated into their structure.

  8. High-Resolution Simulations of Gas-Solids Jet Penetration Into a High Density Riser Flow

    SciTech Connect

    Li, Tingwen

    2011-05-01

    High-resolution simulations of a gas-solids jet in a 0.3 m diameter and 15.9 m tall circulating fluidized bed (CFB) riser were conducted with the open source software-MFIX. In the numerical simulations, both gas and solids injected through a 1.6 cm diameter radial-directed tube 4.3 m above the bottom distributor were tracked as tracers, which enable the analysis of the characteristics of a two-phase jet. Two jetting gas velocities of 16.6 and 37.2 m/s were studied with the other operating conditions fixed. Reasonable flow hydrodynamics with respect to overall pressure drop, voidage, and solids velocity distributions were predicted. Due to the different dynamic responses of gas and particles to the crossflow, a significant separation of gas and solids within the jet region was predicted for both cases. In addition, the jet characteristics based on tracer concentration and tracer mass fraction profiles at different downstream levels are discussed. Overall, the numerical predictions compare favorably to the experimental measurements made at NETL.

  9. Structured grid generation using a CAD solid model for an aero-gas turbine combustion system

    SciTech Connect

    Eccles, N.C.; Manners, A.P.

    1996-12-31

    An aero-gas turbine combustion system was used to demonstrate the problems of creating a single block structured grid suitable for CFD predictions from a designer`s parametric solid model. The solid model had to be filtered of sub-grid detail and computational fluid volumes generated from the solid model of the metal. Alternative methods of transferring the geometry from the CAD package to the grid generator were considered. The type and method of grid generation was found to influence all stages in manipulating the geometry.

  10. Formation of the Giant Planets by Concurrent Accretion of Solids and Gas

    NASA Technical Reports Server (NTRS)

    Hubickyj, Olenka

    1997-01-01

    Models were developed to simulate planet formation. Three major phases are characterized in the simulations: (1) planetesimal accretion rate, which dominates that of gas, rapidly increases owing to runaway accretion, then decreases as the planet's feeding zone is depleted; (2) occurs when both solid and gas accretion rates are small and nearly independent of time; and (3) starts when the solid and gas masses are about equal and is marked by runaway gas accretion. The models applicability to planets in our Solar System are judged using two basic "yardsticks". The results suggest that the solar nebula dissipated while Uranus and Neptune were in the second phase, during which, for a relatively long time, the masses of their gaseous envelopes were small but not negligible compared to the total masses. Background information, results and a published article are included in the report.

  11. Solid State Structure-Reactivity Studies on Bixbyites, Fluorites and Perovskites Belonging to the Vanadate, Titanate and Cerate Families

    NASA Astrophysics Data System (ADS)

    Shafi, Shahid P.

    This thesis primarily focuses on the systematic understanding of structure-reactivity relationships in two representative systems: bixbyite and related structures as well as indium doped CeO2. Topotactic reaction routes have gained significant attention over the past two decades due to their potential to access kinetically controlled metastable materials. This has contributed substantially to the understanding of solid state reaction pathways and provided first insights into mechanisms. Contrary to the widely used ex-situ methods, in-situ techniques including powder x-ray diffraction and thermogravimetric-differential thermal analysis have been employed extensively throughout this work in order to follow the reaction pathways in real time. Detailed analysis of the AVO3 (A = In, Sc) bixbyite reactivity under oxidative conditions has been carried out and a variety of novel metastable oxygen defect phases have been identified and characterized. The novel metastable materials have oxygen deficient fluorite structures and consequently are potential ion conductors. Structural aspects of the topotactic vs. reconstructive transformations are illustrated with this model system. The structure-reactivity study of AVO3 phases was extended to AVO3 perovskite family. Based on the research methodologies and results from AVO3 bixbyite reactivity studies a generalized mechanistic oxidation pathway has been established with a non-vanadium phase, ScTiO3 bixbyite. However, there is stark contrast in terms of structural stability and features beyond this stability limit during AVO3 and ScTiO3 bixbyite reaction pathways. A series of complex reaction sequences including phase separation and phase transitions were identified during the investigation of ScTiO3 reactivity. The two-step formation pathway for the fluorite-type oxide ion conductor Ce1-xInxO2-delta (0 ≤ x ≤ 0.3) is being reported. The formation of the BaCe1-xInxO 3-delta perovskites and the subsequent CO2-capture reaction

  12. Vapor-liquid-solid growth of GaN nanowires by reactive sputtering of GaAs

    NASA Astrophysics Data System (ADS)

    Mohanta, P.; Chaturvedi, P.; Major, S. S.; Srinivasa, R. S.

    2013-02-01

    Uniformly distributed nanosized Au-Ga alloy particles were formed on ultrathin Au coated quartz substrate by sputtering of GaAs with argon at 700 °C. Subsequent deposition of GaN by reactive sputtering of GaAs in 100 % nitrogen results in the growth of GaN nanowires. X-ray diffraction analysis confirmed the formation of hexagonal GaN. Field emission gun scanning electron microscopy studies show that the nanowires are of average length 400±50 nm and average diameter 40±5 nm. The presence of spherical Au-Ga nanoparticles of diameter ˜ 50 nm at the top of the nanowires suggests that the growth takes place by vapor-liquid-solid mechanism.

  13. Modeling of Interior Ballistic Gas-Solid Flow Using a Coupled Computational Fluid Dynamics-Discrete Element Method.

    PubMed

    Cheng, Cheng; Zhang, Xiaobing

    2013-05-01

    In conventional models for two-phase reactive flow of interior ballistic, the dynamic collision phenomenon of particles is neglected or empirically simplified. However, the particle collision between particles may play an important role in dilute two-phase flow because the distribution of particles is extremely nonuniform. The collision force may be one of the key factors to influence the particle movement. This paper presents the CFD-DEM approach for simulation of interior ballistic two-phase flow considering the dynamic collision process. The gas phase is treated as a Eulerian continuum and described by a computational fluid dynamic method (CFD). The solid phase is modeled by discrete element method (DEM) using a soft sphere approach for the particle collision dynamic. The model takes into account grain combustion, particle-particle collisions, particle-wall collisions, interphase drag and heat transfer between gas and solid phases. The continuous gas phase equations are discretized in finite volume form and solved by the AUSM+-up scheme with the higher order accurate reconstruction method. Translational and rotational motions of discrete particles are solved by explicit time integrations. The direct mapping contact detection algorithm is used. The multigrid method is applied in the void fraction calculation, the contact detection procedure, and CFD solving procedure. Several verification tests demonstrate the accuracy and reliability of this approach. The simulation of an experimental igniter device in open air shows good agreement between the model and experimental measurements. This paper has implications for improving the ability to capture the complex physics phenomena of two-phase flow during the interior ballistic cycle and to predict dynamic collision phenomena at the individual particle scale. PMID:24891728

  14. Acoustic probe for solid-gas-liquid suspensions. 1997 annual progress report

    SciTech Connect

    Tavlarides, L.L.; Sangani, A.S.

    1997-01-01

    'Acoustic probes have shown promise to be quite effective in determining the solid content in solid-liquid suspensions. However, the presence of small amounts of gas in the waste slurries stored in tanks across the DOE complex prevents straightforward application for characterization of these slurries. The proposed research will develop an acoustic probe for monitoring particle size and volume fraction in slurries in the absence and the presence of gas bubbles. Theoretical Analysis Accomplished: Attenuation of sound waves depends on the size distribution of the solids and the volume fraction of solids. These can in principle be calculated from attenuation measured over a range of frequencies. However, small amounts of bubbles distort the measured attenuation. A typical result from theoretical analysis for the attenuation of solid- gas-liquid systems is given in Figure 1. The total attenuation of a sound wave v(o) equals the sum of contributions by a large number of ''bins'' of particle sizes. This notion yields the following equation for the (hitherto) unknown number density of solid particles as a function of particle radius N(a): j k(o,a)N(a)da = v(o), where the kernel k(o,a) is obtained from analysis. If N(a) is given, the above equation is used to calculate the attenuation v(o). This is referred to as solving the ''forward problem''. Solving for N(a) with v(o) given is the ''inverse problem''. A complication that one faces when trying to solve the inverse problem is that the stated problem is mathematically ill-posed, i.e., small fluctuations in v(o) cause large fluctuations in the result for the number density. Therefore the problem needs to be ''regularized'', i.e., the stated problem needs to be changed slightly such as to make it well-posed. This has been done by others for gas-liquid systems in the past. This approach is currently being applied in the present project to solid-liquid systems. As is shown in Figure 2, it successfully recovers the number

  15. Forebody and base region real gas flow in severe planetary entry by a factored implicit numerical method. II - Equilibrium reactive gas

    NASA Technical Reports Server (NTRS)

    Davy, W. C.; Green, M. J.; Lombard, C. K.

    1981-01-01

    The factored-implicit, gas-dynamic algorithm has been adapted to the numerical simulation of equilibrium reactive flows. Changes required in the perfect gas version of the algorithm are developed, and the method of coupling gas-dynamic and chemistry variables is discussed. A flow-field solution that approximates a Jovian entry case was obtained by this method and compared with the same solution obtained by HYVIS, a computer program much used for the study of planetary entry. Comparison of surface pressure distribution and stagnation line shock-layer profiles indicates that the two solutions agree well.

  16. Solid waste generation from oil and gas industries in United Arab Emirates.

    PubMed

    Elshorbagy, Walid; Alkamali, Abdulqader

    2005-04-11

    Solid wastes generated from oil and gas industrial activities are very diverse in their characteristics, large in their amounts and many of which are hazardous in nature. Thus, quantifying and characterizing the generated amounts in association with their types, classes, sources, industrial activities, and their chemical and biological characteristics is an obvious mandate when evaluating the possible management practices. This paper discusses the types, amounts, generation units, and the factors related to solid waste generation from a major oil and gas field in the United Arab Emirates (Asab Field). The generated amounts are calculated based on a 1-year data collection survey and using a database software specially developed and customized for the current study. The average annual amount of total solid waste generated in the studied field is estimated at 4061 t. Such amount is found equivalent to 650 kg/capita, 0.37 kg/barrel oil, and 1.6 kg/m3 of extracted gas. The average annual amount of hazardous solid waste is estimated at 55 t and most of which (73%) is found to be generated from gas extraction-related activities. The majority of other industrial non-hazardous solid waste is generated from oil production-related activities (41%), The present analysis does also provide the estimated generation amounts per waste type and class, amounts of combustible, recyclable, and compostable wastes, and the amounts dumped in uncontrolled way as well as disposed into special hazardous landfill facilities. The results should help the decision makers in evaluating the best alternatives available to manage the solid wastes generated from the oil and gas industries. PMID:15811669

  17. Characterization of the specific solid-water interfacial area-water saturation relationship and its import to reactive transport

    SciTech Connect

    Saripalli, Kanaka P.; Freedman, Vicky L.; McGrail, B. Peter; Meyer, Philip D.

    2006-05-01

    A modified rate equation for the dissolution of minerals in the unsaturated zone was proposed using a solid-water interfacial area (asw) varying as a function of water saturation (Sw). Vadose zone phenomena, such as infiltration, were discussed as example scenarios where such re-formulation may be useful. A constitutive relationship for the asw - Sw was derived, and used to formulate an approximate model of the proposed rate equation. Implementation of this new model in the reactive transport code CRUNCH was used to evaluate the influence of a changing asw on reactive transport behavior of silica in the vadose zone. These simulations clearly demonstrate that a changing asw can have a significant impact on the silica distribution profiles in the vadose zone. This is to be expected because changes in asw are substantial in the dry Sw range, whereas they are only moderate in the relatively wet region. These findings have significant implications for contaminant transport in the vadose zone, especially in arid regions. Ignoring the effect of a changing asw is likely to result in an overestimation of the net contaminant fluxes in these cases, which leads to highly conservative risk assessments. In case of nutrient flux calculations coupled with dissolution phenomena, it may lead to an overestimation of nutrient availability. Additional theoretical and experimental verification of the proposed models would be valuable.

  18. pH-Responsive Gas-Water-Solid Interface for Multiphase Catalysis.

    PubMed

    Huang, Jianping; Cheng, Fangqin; Binks, Bernard P; Yang, Hengquan

    2015-12-01

    Despite their wide utility in laboratory synthesis and industrial fabrication, gas-water-solid multiphase catalysis reactions often suffer from low reaction efficiency because of the low solubility of gases in water. Using a surface-modification protocol, interface-active silica nanoparticles were synthesized. Such nanoparticles can assemble at the gas-water interface, stabilizing micrometer-sized gas bubbles in water, and disassemble by tuning of the aqueous phase pH. The ability to stabilize gas microbubbles can be finely tuned through variation of the surface-modification protocol. As proof of this concept, Pd and Au were deposited on these silica nanoparticles, leading to interface-active catalysts for aqueous hydrogenation and oxidation, respectively. With such catalysts, conventional gas-water-solid multiphase reactions can be transformed to H2 or O2 microbubble reaction systems. The resultant microbubble reaction systems exhibit significant catalysis efficiency enhancement effects compared with conventional multiphase reactions. The significant improvement is attributed to the pronounced increase in reaction interface area that allows for the direct contact of gas, water, and solid phases. At the end of reaction, the microbubbles can be removed from the reaction systems through changing the pH, allowing product separation and catalyst recycling. Interestingly, the alcohol oxidation activation energy for the microbubble systems is much lower than that for the conventional multiphase reaction, also indicating that the developed microbubble system may be a valuable platform to design innovative multiphase catalysis reactions. PMID:26524337

  19. 2D fluid simulations of discharges at atmospheric pressure in reactive gas mixtures

    NASA Astrophysics Data System (ADS)

    Bourdon, Anne

    2015-09-01

    Since a few years, low-temperature atmospheric pressure discharges have received a considerable interest as they efficiently produce many reactive chemical species at a low energy cost. This potential is of great interest for a wide range of applications as plasma assisted combustion or biomedical applications. Then, in current simulations of atmospheric pressure discharges, there is the need to take into account detailed kinetic schemes. It is interesting to note that in some conditions, the kinetics of the discharge may play a role on the discharge dynamics itself. To illustrate this, we consider the case of the propagation of He-N2 discharges in long capillary tubes, studied for the development of medical devices for endoscopic applications. Simulation results put forward that the discharge dynamics and structure depend on the amount of N2 in the He-N2 mixture. In particular, as the amount of N2 admixture increases, the discharge propagation velocity in the tube increases, reaches a maximum for about 0 . 1 % of N2 and then decreases, in agreement with experiments. For applications as plasma assisted combustion with nanosecond repetitively pulsed discharges, there is the need to handle the very different timescales of the nanosecond discharge with the much longer (micro to millisecond) timescales of combustion processes. This is challenging from a computational point of view. It is also important to better understand the coupling of the plasma induced chemistry and the gas heating. To illustrate this, we present the simulation of the flame ignition in lean mixtures by a nanosecond pulsed discharge between two point electrodes. In particular, among the different discharge regimes of nanosecond repetitively pulsed discharges, a ``spark'' regime has been put forward in the experiments, with an ultra-fast local heating of the gas. For other discharge regimes, the gas heating is much weaker. We have simulated the nanosecond spark regime and have observed shock waves

  20. Effect of reactive gas (oxygen/chlorine/fluorine) etching on the magnetic flux of a high moment write pole material

    SciTech Connect

    Zhang Jinqiu; Liu Feng; Chen Lifan; Miloslavsky, Lena

    2010-05-15

    Effect of reactive gas (oxygen/chlorine/fluorine) etching on NiFe magnetic properties was investigated. Experimental data showed 40% magnetic property degradation for F-containing gas etching, 10% degradation for O-containing gas etching, and 5% degradation for Cl-containing gas etching processes. X-ray diffraction analysis indicated that the crystallographic orientation remained the same upon the reactive gas etching, which is due to the low ion energy in plasma etching process as opposed to ion milling process with high input energy. It is proposed that the reported magnetic property degradation was mainly caused by the nonmagnetic dead layer formation, rather than the changes in the crystallographic orientation. The dead layer was determined by the NiFe thickness dependence of remnant magnetic flux variations between pre-etched and postetched samples. The dead layer remained nearly constant for O-containing gas etching process with increasing plasma processing time. The nonmagnetic dead layer of {approx}40-50 A formed in O-containing etching gas was observed in transmission electron microscopy cross-sectional image and was in very good agreement with the calculated value based on magnetic flux measurements. Combined magnetic and physical characterizations suggest that the dead layer thickness saturates at the initial stage of the plasma etching and magnetic property remained unchanged with increasing etching duration upon formation of the dead layer.

  1. Decorative black TiCxOy film fabricated by DC magnetron sputtering without importing oxygen reactive gas

    NASA Astrophysics Data System (ADS)

    Ono, Katsushi; Wakabayashi, Masao; Tsukakoshi, Yukio; Abe, Yoshiyuki

    2016-02-01

    Decorative black TiCxOy films were fabricated by dc (direct current) magnetron sputtering without importing the oxygen reactive gas into the sputtering chamber. Using a ceramic target of titanium oxycarbide (TiC1.59O0.31), the oxygen content in the films could be easily controlled by adjustment of total sputtering gas pressure without remarkable change of the carbon content. The films deposited at 2.0 and 4.0 Pa, those are higher pressure when compared with that in conventional magnetron sputtering, showed an attractive black color. In particular, the film at 4.0 Pa had the composition of TiC1.03O1.10, exhibited the L* of 41.5, a* of 0.2 and b* of 0.6 in CIELAB color space. These values were smaller than those in the TiC0.29O1.38 films (L* of 45.8, a* of 1.2 and b* of 1.2) fabricated by conventional reactive sputtering method from the same target under the conditions of gas pressure of 0.3 Pa and optimized oxygen reactive gas concentration of 2.5 vol.% in sputtering gas. Analysis of XRD and XPS revealed that the black film deposited at 4.0 Pa was the amorphous film composed of TiC, TiO and C. The adhesion property and the heat resisting property were enough for decorative uses. This sputtering process has an industrial advantage that the decorative black coating with color uniformity in large area can be easily obtained by plain operation because of unnecessary of the oxygen reactive gas importing which is difficult to be controlled uniformly in the sputtering chamber.

  2. Application of the carbon dioxide-barium hydroxide hydrate gas-solid reaction for the treatment of dilute carbon dioxide-bearing gas streams

    SciTech Connect

    Haag, G.L.

    1983-09-01

    The removal of trace components from gas streams via irreversible gas-solid reactions in an area of interest to the chemical engineering profession. This research effort addresses the use of fixed beds of Ba(OH)/sub 2/ hydrate flakes for the removal of an acid gas, CO/sub 2/, from air that contains approx. 330 ppM/sub v/ CO/sub 2/. Areas of investigation encompassed: (1) an extensive literature review of Ba(OH)/sub 2/ hydrate chemistry, (2) microscale studies on 0.150-g samples to develop a better understanding of the reaction, (3) process studies at the macroscale level with 10.2-cm-ID fixed-bed reactors, and (4) the development of a model for predicting fixed-bed performance. Experimental studies indicated fixed beds of commercial Ba(OH)/sub 2/.8H/sub 2/O flakes at ambient temperatures to be capable of high CO/sub 2/-removal efficiencies (effluent concentrations <100 ppB), high reactant utilization (>99%), and an acceptable pressure drop (1.8 kPa/m at a superficial gas velocity of 13 cm/s). Ba(OH)/sub 2/.8H/sub 2/O was determined to be more reactive toward CO/sub 2/ than either Ba(OH)/sub 2/.3H/sub 2/O or Ba(OH)/sub 2/.1H/sub 2/O. A key variable in the development of this fixed-bed process was relative humidity. Operation at conditions with effluent relative humidities >60% resulted in significant recrystallization and restructuring of the flake and subsequent pressure-drop problems.

  3. Solid oxide fuel cell having compound cross flow gas patterns

    DOEpatents

    Fraioli, Anthony V.

    1985-01-01

    A core construction for a fuel cell is disclosed having both parallel and cross flow passageways for the fuel and the oxidant gases. Each core passageway is defined by electrolyte and interconnect walls. Each electrolyte wall consists of cathode and anode materials sandwiching an electrolyte material. Each interconnect wall is formed as a sheet of inert support material having therein spaced small plugs of interconnect material, where cathode and anode materials are formed as layers on opposite sides of each sheet and are electrically connected together by the interconnect material plugs. Each interconnect wall in a wavy shape is connected along spaced generally parallel line-like contact areas between corresponding spaced pairs of generally parallel electrolyte walls, operable to define one tier of generally parallel flow passageways for the fuel and oxidant gases. Alternate tiers are arranged to have the passageways disposed normal to one another. Solid mechanical connection of the interconnect walls of adjacent tiers to the opposite sides of the common electrolyte wall therebetween is only at spaced point-like contact areas, 90 where the previously mentioned line-like contact areas cross one another.

  4. Proton conductive tantalum oxide thin film deposited by reactive DC magnetron sputtering for all-solid-state switchable mirror

    NASA Astrophysics Data System (ADS)

    Tajima, K.; Yamada, Y.; Bao, S.; Okada, M.; Yoshimura, K.

    2008-03-01

    Our developed all-solid-state switchable mirror as a smart window is consisted in multi-layer of Mg4Ni/Pd/Ta2O5/WO3/ITO/glass and can switch reversibly from the reflective state to the transparent one. The development of high performance solid electrolyte thin film of Ta2O5 is important for fast speed switching and high durability of the device. In this work, we have investigated the electrochemical property of Ta2O5 thin film deposited by reactive DC magnetron sputtering. The effect of thickness on electrochemical and proton conductivities of Ta2O5 thin film was investigated. The Ta2O5 thin film with a thickness of 400 nm had better proton conductivity of 1.5×10-9 S/cm measured by AC impedance method. The transmittance at wavelength of 670 nm of the device with 400 nm thick Ta2O5 thin film was changed from 0.1% (reflective state) to 51% (transparent state) within 10 s by applying voltage of 5 V. The device showed high durability up to two-thousand switching cycles.

  5. Reactivation of a thermostable lipase by solid phase unfolding/refolding effect of cysteine residues on refolding efficiency.

    PubMed

    Godoy, César A; de las Rivas, Blanca; Bezbradica, Dejan; Bolivar, Juan M; López-Gallego, Fernando; Fernandez-Lorente, Gloria; Guisan, Jose M

    2011-09-10

    Lipase from Geobacillus thermocatenulatus (BTL2) was immobilized in two different matrixes. In one derivative, the enzyme was immobilized on agarose activated with cyanogen bromide (CNBr-BTL2) via its most reactive superficial amino group, whereas the other derivative was covalently immobilized on glyoxyl agarose supports (Gx-BTL2). The latter immobilization protocol leads to intense multipoint covalent attachment between the lysine richest region of enzyme and the glyoxyl groups on the support surface. The resulted solid derivatives were unfolded by incubation under high concentrations of guanidine and then resuspended in aqueous media under different experimental conditions. In both CNBr-BTL2 and Gx-BTL2 derivatives, the oxidation of Cys residues during the unfolding/refolding processes led to inefficient folding for the enzyme because only 25-30% of its initial activity was recovered after 3h in refolding conditions. Dithiothreitol (DTT), a very mild reducing agent, prevented Cys oxidation during the unfolding/refolding process, greatly improving activity recovery in the refolded forms. In parallel, other variables such as pH, buffer composition and the presence of polymers and other additives, had different effects on refolding efficiencies and refolding rates for both derivatives. In the case of solid derivatives of BTL2 immobilized on CNBr-agarose, the surface's chemistry was crucial to guarantee an optimal protein refolding. In this way, uncharged protein vicinities resulted in better refolding efficiencies than those charged ones. PMID:22112565

  6. Greenhouse gas emission and groundwater pollution potentials of soils amended with raw and carbonized swine solids

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The objective of this research is to study the greenhouse gas emission and groundwater pollution potentials of the soils amended with raw swine solids and swine biochars made from different thermochemical conditions. Triplicate sets of small pots were designed: 1) control soil with a 50/50 mixture o...

  7. Particle-Resolved Direct Numerical Simulation for Gas-Solid Flow Model Development

    NASA Astrophysics Data System (ADS)

    Tenneti, Sudheer; Subramaniam, Shankar

    2014-01-01

    Gas-solid flows in nature and industrial applications are characterized by multiscale and nonlinear interactions that manifest as rich flow physics and pose unique modeling challenges. In this article, we review particle-resolved direct numerical simulation (PR-DNS) of the microscale governing equations for understanding gas-solid flow physics and obtaining quantitative information for model development. A clear connection between a microscale realization and meso/macroscale representation is necessary for PR-DNS to be used effectively for model development at the meso- and macroscale. Furthermore, the design of PR-DNS must address the computational challenges of parameterizing models in a high-dimensional parameter space and obtaining accurate statistics of flow properties from a finite number of realizations at acceptable grid resolution. This review also summarizes selected recent insights into the physics of momentum, kinetic energy, and heat transfer in gas-solid flows obtained from PR-DNS. Promising future applications of PR-DNS include the study of the effect of number fluctuations on hydrodynamics, instabilities in gas-solid flow, and wall-bounded flows.

  8. Analysis of Indirect Emissions Benefits of Wind, Landfill Gas, and Municipal Solid Waste Generation

    EPA Science Inventory

    Techniques are introduced to calculate the hourly indirect emissions benefits of three types of green power resources: wind energy, municipal solid waste (MSW) combustion, and landfill gas (LFG) combustion. These techniques are applied to each of the U.S. EPA's eGRID subregions i...

  9. Utilization of the Recycle Reactor in Determining Kinetics of Gas-Solid Catalytic Reactions.

    ERIC Educational Resources Information Center

    Paspek, Stephen C.; And Others

    1980-01-01

    Describes a laboratory scale reactor that determines the kinetics of a gas-solid catalytic reaction. The external recycle reactor construction is detailed with accompanying diagrams. Experimental details, application of the reactor to CO oxidation kinetics, interphase gradients, and intraphase gradients are discussed. (CS)

  10. A solid ceramic electrolyte system for measuring redox conditions in high temperature gas mixing studies

    NASA Technical Reports Server (NTRS)

    Williams, R. J.

    1972-01-01

    The details of the construction and operation of a gas mixing furnace are presented. A solid ceramic oxygen electrolyte cell is used to monitor the oxygen fugacity in the furnace. The system consists of a standard vertical-quench, gas mixing furnace with heads designed for mounting the electrolyte cell and with facilities for inserting and removing the samples. The system also contains the highinput impedance electronics necessary for measurements and a simplified version of standard gas mixing apparatus. The calibration and maintenance of the system are discussed.

  11. Modular High-Temperature Gas-Cooled Reactor short term thermal response to flow and reactivity transients

    SciTech Connect

    Cleveland, J.C.

    1988-01-01

    The analyses reported here have been conducted at the Oak Ridge National Laboratory (ORNL) for the US Nuclear Regulatory Commission's (NRC's) Division of Regulatory Applications of the Office of Nuclear Regulatory Research. The short-term thermal response of the Modular High-Temperature Gas-Cooled Reactor (MHTGR) is analyzed for a range of flow and reactivity transients. These include loss of forced circulation (LOFC) without scram, moisture ingress, spurious withdrawal of a control rod group, hypothetical large and rapid positive reactivity insertion, and a rapid core cooling event. The coupled heat transfer-neutron kinetics model is also described.

  12. A fully coupled model for water-gas-heat reactive transport with methane oxidation in landfill covers.

    PubMed

    Ng, C W W; Feng, S; Liu, H W

    2015-03-01

    Methane oxidation in landfill covers is a complex process involving water, gas and heat transfer as well as microbial oxidation. The coupled phenomena of microbial oxidation, water, gas, and heat transfer are not fully understood. In this study, a new model is developed that incorporates water-gas-heat coupled reactive transport in unsaturated soil with methane oxidation. Effects of microbial oxidation-generated water and heat are included. The model is calibrated using published data from a laboratory soil column test. Moreover, a series of parametric studies are carried out to investigate the influence of microbial oxidation-generated water and heat, initial water content on methane oxidation efficiency. Computed and measured results of gas concentration and methane oxidation rate are consistent. It is found that the coupling effects between water-gas-heat transfer and methane oxidation are significant. Ignoring microbial oxidation-generated water and heat can result in a significant difference in methane oxidation efficiency by 100%. PMID:25489976

  13. Gas-Phase Reactivity of Cesium-Containing Species by Quantum Chemistry.

    PubMed

    Šulková, Katarína; Cantrel, Laurent; Louis, Florent

    2015-09-01

    Thermodynamics and kinetics of cesium species reactions have been studied by using high-level quantum chemical tools. A systematic theoretical study has been done to find suitable methodology for calculation of reliable thermodynamic properties, allowing us to determine bimolecular rate constants with appropriate kinetic theories of gas-phase reactions. Four different reactions have been studied in this work: CsO + H2 = CsOH + H (R1), Cs + HI = CsI + H (R2), CsI + H2O = CsOH + HI (R3), and CsI + OH = CsOH + I (R4). All reactions involve steam, hydrogen, and iodine in addition of cesium. Most of the reactions are fast and (R3) and (R4) proceed even without energetic barrier. In terms of chemical reactivity in the reactor coolant system (RCS) in the case of severe accident, it can be expected that there will be no kinetic limitations for main cesium species (CsOH and CsI) transported along the RCS. Cs chemical speciation inside the RCS should be governed by the thermodynamics. PMID:26237575

  14. Noble-transition metal nanoparticle breathing in a reactive gas atmosphere.

    PubMed

    Petkov, Valeri; Shan, Shiyao; Chupas, Peter; Yin, Jun; Yang, Lefu; Luo, Jin; Zhong, Chuan-Jian

    2013-08-21

    In situ high-energy X-ray diffraction coupled to atomic pair distribution function analysis is used to obtain fundamental insight into the effect of the reactive gas environment on the atomic-scale structure of metallic particles less than 10 nm in size. To substantiate our recent discovery we investigate a wide range of noble-transition metal nanoparticles and confirm that they expand and contract radially when treated in oxidizing (O2) and reducing (H2) atmospheres, respectively. The results are confirmed by supplementary XAFS experiments. Using computer simulations guided by the experimental diffraction data we quantify the effect in terms of both relative lattice strain and absolute atomic displacements. In particular, we show that the effect leads to a small percent of extra surface strain corresponding to several tenths of Ångström displacements of the atoms at the outmost layer of the particles. The effect then gradually decays to zero within 4 atomic layers inside the particles. We also show that, reminiscent of a breathing type structural transformation, the effect is reproducible and reversible. We argue that because of its significance and widespread occurrence the effect should be taken into account in nanoparticle research. PMID:23828235

  15. Inert gas purgebox for Fourier transform ion cyclotron resonance mass spectrometry of air-sensitive solids

    NASA Astrophysics Data System (ADS)

    May, Michael A.; Marshall, Alan G.

    1994-03-01

    A sealed rigid ``purgebox'' makes it possible to load air- and/or moisture-sensitive solids into the solids probe inlet of a Fourier transform ion cyclotron resonance (FT/ICR) mass spectrometer. A pelletized sample is transferred (in a sealed canister) from a commercial drybox to a Lucite(R) purgebox. After the box is purged with inert gas, an attached glove manipulator is used to transfer the sample from the canister to the solids probe of the mass spectrometer. Once sealed inside the inlet, the sample is pre-evacuated and then passed into the high vacuum region of the instrument at ˜10-7 Torr. The purgebox is transparent, portable, and readily assembled/disassembled. Laser desorption FT/ICR mass spectra of the air- and moisture-sensitive solids, NbCl5. NbCl2(C5H5)2, and Zr(CH3)2(C5H5)2 are obtained without significant oxidation. The residual water vapor concentration inside the purgebox was measured as 100±20 ppm after a 90-min purge with dry nitrogen gas. High-resolution laser desorption/ionization mass spectrometry of air-sensitive solids becomes feasible with the present purgebox interface. With minor modification of the purgebox geometry, the present method could be adapted to any mass spectrometer equipped with a solid sample inlet.

  16. Atmospheric reactivity of hydroxyl radicals with guaiacol (2-methoxyphenol), a biomass burning emitted compound: Secondary organic aerosol formation and gas-phase oxidation products

    NASA Astrophysics Data System (ADS)

    Lauraguais, Amélie; Coeur-Tourneur, Cécile; Cassez, Andy; Deboudt, Karine; Fourmentin, Marc; Choël, Marie

    2014-04-01

    Methoxyphenols are low molecular weight semi-volatile polar aromatic compounds produced from the pyrolysis of wood lignin. The reaction of guaiacol (2-methoxyphenol) with hydroxyl radicals has been studied in the LPCA simulation chamber at (294 ± 2) K, atmospheric pressure, low relative humidity (RH < 1%) and under high-NOx conditions using CH3ONO as OH source. The aerosol production was monitored using a SMPS (Scanning Mobility Particle Sizer); the SOA yields were in the range from 0.003 to 0.87 and the organic aerosol formation can be expressed by a one-product gas/particle partitioning absorption model. Transmission (TEM) and Scanning (SEM) Electron Microscopy observations were performed to characterize the physical state of SOA produced from the OH reaction with guaiacol; they display both liquid and solid particles (in an amorphous state). GC-FID (Gas Chromatography - Flame Ionization Detection) and GC-MS (Gas Chromatography - Mass Spectrometry) analysis show the formation of nitroguaiacol isomers as main oxidation products in the gas- and aerosol-phases. In the gas-phase, the formation yields were (10 ± 2) % for 4-nitroguaiacol (1-hydroxy-2-methoxy-4-nitrobenzene; 4-NG) and (6 ± 2) % for 3- or 6-nitroguaiacol (1-hydroxy-2-methoxy-3-nitrobenzene or 1-hydroxy-2-methoxy-6-nitrobenzene; 3/6-NG; the standards are not commercially available so both isomers cannot be distinguished) whereas in SOA their yield were much lower (≤0.1%). To our knowledge, this work represents the first identification of nitroguaiacols as gaseous oxidation products of the OH reaction with guaiacol. As the reactivity of nitroguaiacols with atmospheric oxidants is probably low, we suggest using them as biomass burning emission gas tracers. The atmospheric implications of the guaiacol + OH reaction are also discussed.

  17. Reactivity of Ozone with Solid Potassium Iodide Investigated by Atomic Force Microscopy

    SciTech Connect

    Mulleregan, Alice; Brown, Matthew A.; Ashby, Paul D.; Ogletree, D. Frank; Salmeron, Miquel; Hemminger, John C.

    2008-04-14

    The reaction of ozone with the (100) plane of solid potassium iodide (KI) was investigated using atomic force microscopy (AFM). The reaction forming potassium iodate (KIO{sub 3}) initiates at step edges prior to reacting on the flat terraces. Small domains of KIO{sub 3}, initially 3.8 {angstrom} in height are formed on the top of step edges. Following reaction at the step edge, domains of KIO{sub 3} are formed across the terraces. With prolonged exposure to ozone, KIO{sub 3} domains nucleate further growth until the surface is evenly covered with KIO{sub 3} particles that are 4-6 nm in height, at which point the surface is passivated and the reaction terminates.

  18. A study of tritium in municipal solid waste leachate and gas

    SciTech Connect

    Mutch Jr, R. D.; Mahony, J. D.

    2008-07-15

    It has become increasingly clear in the last few years that the vast majority of municipal solid waste landfills produce leachate that contains elevated levels of tritium. The authors recently conducted a study of landfills in New York and New Jersey and found that the mean concentration of tritium in the leachate from ten municipal solid waste (MSW) landfills was 33,800 pCi/L with a peak value of 192,000 pCi/L. A 2003 study in California reported a mean tritium concentration of 99,000 pCi/L with a peak value of 304,000 pCi/L. Studies in Pennsylvania and the UK produced similar results. The USEPA MCL for tritium is 20,000 pCi/L. Tritium is also manifesting itself as landfill gas and landfill gas condensate. Landfill gas condensate samples from landfills in the UK and California were found to have tritium concentrations as high as 54,400 and 513,000 pCi/L, respectively. The tritium found in MSW leachate is believed to derive principally from gaseous tritium lighting devices used in some emergency exit signs, compasses, watches, and even novelty items, such as 'glow stick' key chains. This study reports the findings of recent surveys of leachate from a number of municipal solid waste landfills, both open and closed, from throughout the United States and Europe. The study evaluates the human health and ecological risks posed by elevated tritium levels in municipal solid waste leachate and landfill gas and the implications to their safe management. We also assess the potential risks posed to solid waste management facility workers exposed to tritium-containing waste materials in transfer stations and other solid waste management facilities. (authors)

  19. A solid oxide fuel cell system fed with hydrogen sulfide and natural gas

    NASA Astrophysics Data System (ADS)

    Lu, Yixin; Schaefer, Laura

    Hydrogen sulfide (H 2S) occurs naturally in crude petroleum, natural gas, volcanic gases, hot springs, and some lakes. Hydrogen sulfide can also result as a by-product from industrial activities, such as food processing, coke ovens, paper mills, tanneries, and petroleum refineries. Sometimes, it is considered to be an industrial pollutant. However, hydrogen can be decomposed from H 2S and then used as fuel for a solid oxide fuel cell (SOFC). This paper presents an examination of a simple hydrogen sulfide and natural gas-fed solid oxide fuel cell system. The possibility of utilization of hydrogen sulfide as a feedstock in a solid oxide fuel cell is discussed. A system configuration of an SOFC combined with an external H 2S decomposition device is proposed, where a certain amount of natural gas is supplied to the SOFC. The exhaust fuel gas of the SOFC is after-burned with exhaust air from the SOFC, and the heat of the combustion gas is utilized in the decomposition of H 2S in a decomposition reactor (DR) to produce hydrogen to feed the SOFC. The products are electricity and industry-usable sulfur. Through a mass and energy balance, a preliminary thermodynamic analysis of this system is performed, and the system efficiency is calculated. Also in this paper, the challenges in creating the proposed configuration are discussed, and the direction of future work is presented.

  20. Coal/biomass fuels and the gas turbine: Utilization of solid fuels and their derivatives

    SciTech Connect

    DeCorso, M.; Newby, R.; Anson, D.; Wenglarz, R.; Wright, I.

    1996-06-01

    This paper discusses key design and development issues in utilizing coal and other solid fuels in gas turbines. These fuels may be burned in raw form or processed to produce liquids or gases in more or less refined forms. The use of such fuels in gas turbines requires resolution of technology issues which are of little or no consequence for conventional natural gas and refined oil fuels. For coal, these issues are primarily related to the solid form in which coal is naturally found and its high ash and contaminant levels. Biomass presents another set of issues similar to those of coal. Among the key areas discussed are effects of ash and contaminant level on deposition, corrosion, and erosion of turbine hot parts, with particular emphasis on deposition effects.

  1. Solid Sorbents for CO2 Capture from Post-Combustion and Pre-Combustion Gas Streams

    SciTech Connect

    Siriwardane, R.V.; Robinson, C.; Stevens, R.W.

    2007-08-01

    A novel liquid impregnated solid sorbent was developed for CO2 removal in the temperature range of ambient to 60 °C for both fixed bed and fluidized bed reactor applications. The sorbent is regenerable at 60-80 °C. Multi-cycle tests conducted in an atmospheric bench scale reactor with simulated flue gas demonstrated that the sorbent retains its CO2 sorption capacity with CO2 removal efficiency of about 99%. A second, novel solid sorbent containing mixture of alkali earth and alkali compounds was developed for CO2 removal at 200-315 °C from high pressure gas streams (i.e., suitable for IGCC systems). The sorbent showed very high capacity for CO2 removal from gas streams containing 28% CO2 at 200 °C and 11.2 atm during lab-scale flow reactor tests as well as regenerability at 375 °C.

  2. A nanostructured surface increases friction exponentially at the solid-gas interface

    PubMed Central

    Phani, Arindam; Putkaradze, Vakhtang; Hawk, John E.; Prashanthi, Kovur; Thundat, Thomas

    2016-01-01

    According to Stokes’ law, a moving solid surface experiences viscous drag that is linearly related to its velocity and the viscosity of the medium. The viscous interactions result in dissipation that is known to scale as the square root of the kinematic viscosity times the density of the gas. We observed that when an oscillating surface is modified with nanostructures, the experimentally measured dissipation shows an exponential dependence on kinematic viscosity. The surface nanostructures alter solid-gas interplay greatly, amplifying the dissipation response exponentially for even minute variations in viscosity. Nanostructured resonator thus allows discrimination of otherwise narrow range of gaseous viscosity making dissipation an ideal parameter for analysis of a gaseous media. We attribute the observed exponential enhancement to the stochastic nature of interactions of many coupled nanostructures with the gas media. PMID:27596851

  3. Modeling of ultrasound transmission through a solid-liquid interface comprising a network of gas pockets

    NASA Astrophysics Data System (ADS)

    Paumel, K.; Moysan, J.; Chatain, D.; Corneloup, G.; Baqué, F.

    2011-08-01

    Ultrasonic inspection of sodium-cooled fast reactor requires a good acoustic coupling between the transducer and the liquid sodium. Ultrasonic transmission through a solid surface in contact with liquid sodium can be complex due to the presence of microscopic gas pockets entrapped by the surface roughness. Experiments are run using substrates with controlled roughness consisting of a network of holes and a modeling approach is then developed. In this model, a gas pocket stiffness at a partially solid-liquid interface is defined. This stiffness is then used to calculate the transmission coefficient of ultrasound at the entire interface. The gas pocket stiffness has a static, as well as an inertial component, which depends on the ultrasonic frequency and the radiative mass.

  4. A nanostructured surface increases friction exponentially at the solid-gas interface.

    PubMed

    Phani, Arindam; Putkaradze, Vakhtang; Hawk, John E; Prashanthi, Kovur; Thundat, Thomas

    2016-01-01

    According to Stokes' law, a moving solid surface experiences viscous drag that is linearly related to its velocity and the viscosity of the medium. The viscous interactions result in dissipation that is known to scale as the square root of the kinematic viscosity times the density of the gas. We observed that when an oscillating surface is modified with nanostructures, the experimentally measured dissipation shows an exponential dependence on kinematic viscosity. The surface nanostructures alter solid-gas interplay greatly, amplifying the dissipation response exponentially for even minute variations in viscosity. Nanostructured resonator thus allows discrimination of otherwise narrow range of gaseous viscosity making dissipation an ideal parameter for analysis of a gaseous media. We attribute the observed exponential enhancement to the stochastic nature of interactions of many coupled nanostructures with the gas media. PMID:27596851

  5. Modeling of ultrasound transmission through a solid-liquid interface comprising a network of gas pockets

    SciTech Connect

    Paumel, K.; Baque, F.; Moysan, J.; Corneloup, G.; Chatain, D.

    2011-08-15

    Ultrasonic inspection of sodium-cooled fast reactor requires a good acoustic coupling between the transducer and the liquid sodium. Ultrasonic transmission through a solid surface in contact with liquid sodium can be complex due to the presence of microscopic gas pockets entrapped by the surface roughness. Experiments are run using substrates with controlled roughness consisting of a network of holes and a modeling approach is then developed. In this model, a gas pocket stiffness at a partially solid-liquid interface is defined. This stiffness is then used to calculate the transmission coefficient of ultrasound at the entire interface. The gas pocket stiffness has a static, as well as an inertial component, which depends on the ultrasonic frequency and the radiative mass.

  6. Performance of a Zerovalent Iron Reactive Barrier for the Treatment of Arsenic in Groundwater: Part 2. Geochemical Modeling and Solid Phase Studies

    EPA Science Inventory

    Arsenic uptake processes were evaluated in a zerovalent iron reactive barrier installed at a lead smelting facility using geochemical modeling, solid-phase analysis, and X-ray absorption spectroscopy techniques. Aqueous speciation of arsenic plays a key role in directing arsenic...

  7. Radiation-induced reactions of COH 2 gas mixtures over various solid catalysts

    NASA Astrophysics Data System (ADS)

    Nagai, S.; Arai, H.; Hatada, M.

    Studies have been carried out of radiation-induced reactions of COH 2 gas mixtures in the presence of various solid catalysts in order to find possibilities of synthesizing organic raw materials from COH 2 by radiation for the future. The solid catalysts studied include Fischer-Tropsch catalyst (FeCu supported by diatomaceous earth), titania(TiO 2), and silica gel. Analysis of the reaction products over Fischer-Tropsch catalyst or semiconductors such as TiO 2 and ZnOCr 2O 3 reveals that these solid catalysts do not sensitize the radiation chemical reaction of COH 2 but show the secondary effects on the reaction so as to induce the hydrogenation of olefins produced by the catalytic reaction and of aldehydes produced in gas phase by radiation. On the other hand, silica gel and other insulators such as alumina have been found to exhibit high catalytic activity in the formation of hydrocarbons from COH 2 under electron beam irradiation at 300°C. It has been shown experimentally that secondary reactions between H 2 and carbonaceous solid produced from CO make a substantial contribution to the formation of hydrocarbons from COH 2 over silica gel. In an attempt to find the role of silica gel in the reaction to produce hydrocarbons, radiation-induced reactions have been studied of H 2 with the carbonaceous solid that had been produced by irradiation of CO in the absence of solid catalyst, over TiO 2, or over silica gel. The results indicate that silica gel not only enhances the yields of CO 2 and carbonaceous solid from CO but also promotes hydrogenation reactions of the carbonaceous solid under electron beam irradiation.

  8. Landfill gas generation after mechanical biological treatment of municipal solid waste. Estimation of gas generation rate constants.

    PubMed

    Gioannis, G De; Muntoni, A; Cappai, G; Milia, S

    2009-03-01

    Mechanical biological treatment (MBT) of residual municipal solid waste (RMSW) was investigated with respect to landfill gas generation. Mechanically treated RMSW was sampled at a full-scale plant and aerobically stabilized for 8 and 15 weeks. Anaerobic tests were performed on the aerobically treated waste (MBTW) in order to estimate the gas generation rate constants (k,y(-1)), the potential gas generation capacity (L(o), Nl/kg) and the amount of gasifiable organic carbon. Experimental results show how MBT allowed for a reduction of the non-methanogenic phase and of the landfill gas generation potential by, respectively, 67% and 83% (8 weeks treatment), 82% and 91% (15 weeks treatment), compared to the raw waste. The amount of gasified organic carbon after 8 weeks and 15 weeks of treatment was equal to 11.01+/-1.25kgC/t(MBTW) and 4.54+/-0.87kgC/t(MBTW), respectively, that is 81% and 93% less than the amount gasified from the raw waste. The values of gas generation rate constants obtained for MBTW anaerobic degradation (0.0347-0.0803y(-1)) resemble those usually reported for the slowly and moderately degradable fractions of raw MSW. Simulations performed using a prediction model support the hypothesis that due to the low production rate, gas production from MBTW landfills is well-suited to a passive management strategy. PMID:18954969

  9. Prospects of Optical Single Atom Detection in Noble Gas Solids for Measurements of Rare Nuclear Reactions

    NASA Astrophysics Data System (ADS)

    Singh, Jaideep; Bailey, Kevin G.; Lu, Zheng-Tian; Mueller, Peter; O'Connor, Thomas P.; Xu, Chen-Yu; Tang, Xiaodong

    2013-04-01

    Optical detection of single atoms captured in solid noble gas matrices provides an alternative technique to study rare nuclear reactions relevant to nuclear astrophysics. I will describe the prospects of applying this approach for cross section measurements of the ^22Ne,,),25Mg reaction, which is the crucial neutron source for the weak s process inside of massive stars. Noble gas solids are a promising medium for the capture, detection, and manipulation of atoms and nuclear spins. They provide stable and chemically inert confinement for a wide variety of guest species. Because noble gas solids are transparent at optical wavelengths, the guest atoms can be probed using lasers. We have observed that ytterbium in solid neon exhibits intersystem crossing (ISC) which results in a strong green fluorescence (546 nm) under excitation with blue light (389 nm). Several groups have observed ISC in many other guest-host pairs, notably magnesium in krypton. Because of the large wavelength separation of the excitation light and fluorescence light, optical detection of individual embedded guest atoms is feasible. This work is supported by DOE, Office of Nuclear Physics, under contract DE-AC02-06CH11357.

  10. A study of pneumatic conveying of gas-solid flow for industrial application

    NASA Astrophysics Data System (ADS)

    Al-Khateeb, Khalid A. S.; Tasnim, Rumana; Khan, Sheroz; Mohammod, Musse; Arshad, Atika; Shobaki, Mohammed M.; Haider, Samnan; Saquib, Nazmus; Rahman, Tawfilur

    2013-12-01

    The complicated nature of gas-solids' physical properties have challenged the researchers over past decades who have led their efforts in developing its' flow sensing and measurement methods. The term 'gas-solid flow' signifies dilute- or dense-phase flow with a very little concentration of solids. For conducting such flow measurement, generally velocity profile and volumetric concentration of the flow particles being conveyed are needed to be measured. An important application of gas-solid flow has taken root in the form of biomass flow in pneumatic conveying systems, and its' online measurement has proven to be an exigent research pursuit. Additionally the other applications have been explored in power plants, food, chemical and automobiles industries as well. This paper aims at exploring the evolution of flow measurement methods along with a brief explanation on existing fundamental sensing techniques. Furthermore, the most recent patents developed for such measurements in pneumatic conveying pipelines are scrutinized along with their concomitant pros and cons.

  11. Partitioning gas tracer tests for measurement of water in municipal solid waste.

    PubMed

    Imhoff, Paul T; Jakubowitch, Andrew; Briening, Michele L; Chiu, Pei C

    2003-11-01

    A key component in the operation of almost all bioreactor landfills is the addition of water to maintain optimal moisture conditions. To determine how much water is needed and where to add it, in situ methods are required to measure water within solid waste. Existing technologies often result in measurements of unknown accuracy, because of the variability of solid waste materials and time-dependent changes in packing density, both of which influence most measurement methods. To overcome these problems, a new technology recently developed by hydrologists for measuring water in the vadose zone--the partitioning gas tracer test--was tested. In this technology, the transport behavior of two gas tracers within solid waste is used to measure the fraction of the void space filled with water. One tracer is conservative and does not react with solids or liquids, while a second tracer partitions into the water and is separated from the conservative tracer during transport. This technology was tested in four different solid waste packings and was capable of determining the volumetric water content to within 48% of actual values, with most measurement errors less than 15%. This technology and the factors that affect its applicability to landfills are discussed in this paper. PMID:14649759

  12. Compatibility of Space Nuclear Power Plant Materials in an Inert He/Xe Working Gas Containing Reactive Impurities

    SciTech Connect

    MM Hall

    2006-01-31

    A major materials selection and qualification issue identified in the Space Materials Plan is the potential for creating materials compatibility problems by combining dissimilar reactor core, Brayton Unit and other power conversion plant materials in a recirculating, inert He/Xe gas loop containing reactive impurity gases. Reported here are results of equilibrium thermochemical analyses that address the compatibility of space nuclear power plant (SNPP) materials in high temperature impure He gas environments. These studies provide early information regarding the constraints that exist for SNPP materials selection and provide guidance for establishing test objectives and environments for SNPP materials qualification testing.

  13. Landfill gas effects on groundwater samples at a municipal solid waste facility.

    PubMed

    Kerfoot, H B

    1994-11-01

    A study was performed to determine the source of low concentrations of volatile organic compounds (VOCs) detected in groundwater samples at a solid waste management facility. The affected wells were identified as hydraulically upgradient of an old unlined facility, but downgradient of a new clay-lined landfill. These monitoring wells are close to both sites. Subsurface landfill gas migration was identified after a low permeability cap was installed on the older site. Subsurface gas pressure was monitored to identify horizontal landfill gas migration. Monitoring well headspace gases were evaluated to identify depressed oxygen concentrations and methane because of landfill gas migration into the well. Monitoring well headspace gas VOC concentrations were compared to groundwater VOC concentrations to determine the direction of phase transfer. A ratio above 1.0 of the observed well headspace gas concentration of a VOC to the concentration that would be in equilibrium with the groundwater concentration indicates gas-to-water phase transfer within the well. For the major gas-phase and aqueous-phase VOC, cis-1,2-dichloroethene, gas-to-water phase transfer is clearly indicated from the data for two of the four wells. Fifteen other VOCs were detected in monitoring well headspace gases but not in groundwater samples from the four wells studied. Only one compound in one well was detected in the groundwater sample but not in the headspace gases, and only one compound in one well was detected in both matrices at concentrations that suggested water-to-gas phase transfer. This study suggests that if landfill gas is suspected as the source of detected VOCs, monitoring well construction and stratigraphy are important considerations when attempting to differentiate between groundwater contamination by landfill gas and contamination from other sources. PMID:15736343

  14. Gas barrier properties of titanium oxynitride films deposited on polyethylene terephthalate substrates by reactive magnetron sputtering

    NASA Astrophysics Data System (ADS)

    Lin, M.-C.; Chang, L.-S.; Lin, H. C.

    2008-03-01

    Titanium oxynitride (TiN xO y) films were deposited on polyethylene terephthalate (PET) substrates by means of a reactive radio frequency (RF) magnetron sputtering system in which the power density and substrate bias were the varied parameters. Experimental results show that the deposited TiN xO y films exhibited an amorphous or a columnar structure with fine crystalline dependent on power density. The deposition rate increases significantly in conjunction as the power density increases from 2 W/cm 2 to 7 W/cm 2. The maximum deposition rate occurs, as the substrate bias is -40 V at a certain power densities chosen in this study. The film's roughness slightly decreases with increasing substrate bias. The TiN xO y films deposited at power densities above 4 W/cm 2 show a steady Ti:N:O ratio of about 1:1:0.8. The water vapor and oxygen transmission rates of the TiN xO y films reach values as low as 0.98 g/m 2-day-atm and 0.60 cm 3/m 2-day-atm which are about 6 and 47 times lower than those of the uncoated PET substrate, respectively. These transmission rates are comparable to those of DLC, carbon-based and Al 2O 3 barrier films. Therefore, TiN xO y films are potential candidates to be used as a gas permeation barrier for PET substrate.

  15. Photochemical studies of reactive intermediates involved in gas phase ion-neutral reactions

    SciTech Connect

    Osterheld, T.H.

    1992-01-01

    Infrared multiple photon dissociation was used to study unimolecular reactions of gas phase ions in a Fourier transform mass spectrometer. Specifically, the influence of intermediates on reactivity and dynamics was investigated. Dissociation of nitrobenzene cation displays a variety of surprising and apparently non-statistical behavior. The authors demonstrated that some of its reactions involve an isomerization to phenyl nitrite cation by a dissociation/reassociation mechanism in an ion-neutral complex. This allowed the behavior to be explained by normal statistical reactions. Previous work in other laboratories suggested that methane loss from acetone cation occurs by tunneling of a hydrogen atom. Part of the evidence came from the observation of very large isotope effects. The authors demonstrated that methane loss could not occur by tunneling. They further showed that the isotope effects result from normal zero point vibrational energy differences in an ion-neutral complex mechanism. Two simple dissociations of butanone cation do not compete as expected. They also found that the rates for the low energy reactions are much slower than statistical calculations. They explained these results by a prior isomerization to an ion-neutral complex. They calculated that the ion-neutral complex has a higher density of states than butanone cation even at energies well below a reaction threshold. McLafferty and co-workers demonstrated that acetone enol cation isomerizes to a symmetric acetone cation structure which then loses methyl groups at unequal rates. The authors have confirmed this behavior and demonstrated that the non-statistical dissociation depends on the internal energy. They proposed that an excited vibrational mode of the transition state for isomerization couples more strongly with the reaction coordinate, thus yielding more non-statistical dissociation.

  16. Gas-phase reactivity of metavanadate [VO3]- towards methanol and ethanol: experiment and theory.

    PubMed

    Waters, Tom; Wedd, Anthony G; O'Hair, Richard A J

    2007-01-01

    The gas-phase reactivity of the metavanadate anion [VO3]- towards methanol and ethanol was examined by a combination of ion-molecule reaction and isotope labelling experiments in a quadrupole ion-trap mass spectrometer. The experimental data were interpreted with the aid of density functional theory calculations. [VO3]- dehydrated methanol to eliminate water and form [VO2(eta2-OCH2)]-, which features an [eta2-C,O-OCH2]2- ligand formed by formal removal of two protons from methanol and which is isoelectronic with peroxide. [VO3]- reacted with ethanol in an analogous manner to form [VO2(eta2-OCHCH3)]-, as well as by loss of ethene to form [VO2(OH)2]-. The calculations predicted that important intermediates in these reactions were the hydroxo alkoxo anions [VO2(OH)(OCH2R)]- (R: H, CH3). These were predicted to undergo intramolecular hydrogen-atom transfer to form [VO(OH)2(eta1-OCHR)]- followed by eta1-O-->eta2-C,O rearrangements to form [VO(OH)2(eta2-OCHR)]-. The latter reacted further to eliminate water and generate the product [VO2(eta2-OCHR)]-. This major product observed for [VO3]- is markedly different from that observed previously for [NbO3]- containing the heavier Group 5 congener niobium. In that case, the major product of the reaction was an ion of stoichiometry [Nb, O3, H2]- arising from the formal dehydrogenation of methanol to formaldehyde. The origin of this difference was examined theoretically and attributed to the intermediate alkoxo anion [NbO2(OH)(OCH3)]- preferring hydride transfer to form [HNbO2(OH)]- with loss of formaldehyde. This contrasts with the hydrogen-atom-transfer pathway observed for [VO2(OH)(OCH3)]-. PMID:17661322

  17. Gas-phase ion-molecule reactions: a model for the determination of biologically reactive electrophilic contaminants in the environment.

    PubMed

    Freeman, J A; Johnson, J V; Yost, R A; Kuehl, D W

    1994-06-01

    A promising instrumental technique has been investigated to rapidly screen complex environmental samples for chemical contaminants having the propensity to covalently bond to biomacromolecules such as DNA. Radical molecular ions of pyridine, a model compound for nucleophilic bases of DNA, were mass-selected and allowed to react with electrophilic environmental contaminants in the collision cell of a triple quadrupole mass spectrometer. Analytes were introduced into the collision cell via a gas chromatographic column. Reactive chemicals are then characterized by scanning Q3 to identify associative reaction products. A good qualitative correlation was observed for the gas-phase reactivity of a series of electrophilic reagents with both their alkylating reactivity in solution (4-(4-nitrobenzyl)pyridine) and AMES test mutagenicity which had been previously published. Femtomole limits of detection for specific associative reaction products were demonstrated. Gas-phase reactions of ions of environmental contaminants (introduced into the source) with neutral pyridine (in the collision cell) were also investigated. Reactions of the radical molecular ion of the allyl reagents with neutral pyridine were similar to results from the mass-selected reaction of the pyridine radical molecular ion with neutral allylic reagents. PMID:8030792

  18. Greenhouse gas emissions from solid waste in Beijing: The rising trend and the mitigation effects by management improvements.

    PubMed

    Yu, Yongqiang; Zhang, Wen

    2016-04-01

    Disposal of solid waste poses great challenges to city managements. Changes in solid waste composition and disposal methods, along with urbanisation, can certainly affect greenhouse gas emissions from municipal solid waste. In this study, we analysed the changes in the generation, composition and management of municipal solid waste in Beijing. The changes of greenhouse gas emissions from municipal solid waste management were thereafter calculated. The impacts of municipal solid waste management improvements on greenhouse gas emissions and the mitigation effects of treatment techniques of greenhouse gas were also analysed. Municipal solid waste generation in Beijing has increased, and food waste has constituted the most substantial component of municipal solid waste over the past decade. Since the first half of 1950s, greenhouse gas emission has increased from 6 CO2-eq Gg y(-1)to approximately 200 CO2-eq Gg y(-1)in the early 1990s and 2145 CO2-eq Gg y(-1)in 2013. Landfill gas flaring, landfill gas utilisation and energy recovery in incineration are three techniques of the after-emission treatments in municipal solid waste management. The scenario analysis showed that three techniques might reduce greenhouse gas emissions by 22.7%, 4.5% and 9.8%, respectively. In the future, if waste disposal can achieve a ratio of 4:3:3 by landfill, composting and incineration with the proposed after-emission treatments, as stipulated by the Beijing Municipal Waste Management Act, greenhouse gas emissions from municipal solid waste will decrease by 41%. PMID:26873911

  19. Solid-state NMR evidence for inequivalent GvpA subunits in gas vesicles

    PubMed Central

    Sivertsen, Astrid C.; Bayro, Marvin J.; Belenky, Marina; Griffin, Robert G.

    2010-01-01

    SUMMARY Gas vesicles are organelles that provide buoyancy to the aquatic microorganisms that harbor them. The gas vesicle shell consists almost exclusively of the hydrophobic 70-residue protein GvpA, arranged in an ordered array. Solid-state NMR spectra of intact, collapsed gas vesicles from the cyanobacterium Anabaena flos-aquae show duplication of certain GvpA resonances, indicating that specific sites experience at least two different local environments. Interpretation of these results in terms of an asymmetric dimer repeat unit can reconcile otherwise conflicting features of the primary, secondary, tertiary and quaternary structures of the gas vesicle protein. In particular, the asymmetric dimer can explain how the hydrogen bonds in the β–sheet portion of the molecule can be oriented optimally for strength while promoting stabilizing aromatic and electrostatic side-chain interactions among highly conserved residues and creating a large hydrophobic surface suitable for preventing water condensation inside the vesicle. PMID:19232353

  20. Dispersed bubble reactor for enhanced gas-liquid-solids contact and mass transfer

    DOEpatents

    Vimalchand, Pannalal; Liu, Guohai; Peng, WanWang; Bonsu, Alexander

    2016-01-26

    An apparatus to promote gas-liquid contact and facilitate enhanced mass transfer. The dispersed bubble reactor (DBR) operates in the dispersed bubble flow regime to selectively absorb gas phase constituents into the liquid phase. The dispersion is achieved by shearing the large inlet gas bubbles into fine bubbles with circulating liquid and additional pumped liquid solvent when necessary. The DBR is capable of handling precipitates that may form during absorption or fine catalysts that may be necessary to promote liquid phase reactions. The DBR can be configured with multistage counter current flow sections by inserting concentric cylindrical sections into the riser to facilitate annular flow. While the DBR can absorb CO.sub.2 in liquid solvents that may lead to precipitates at high loadings, it is equally capable of handling many different types of chemical processes involving solids (precipitates/catalysts) along with gas and liquid phases.

  1. FIELD TEST MEASUREMENTS AT FIVE MUNICIPAL SOLID WASTE LANDFILLS WITH LANDFILL GAS CONTROL TECHNOLOGY--FINAL REPORT

    EPA Science Inventory

    Research was conducted to evaluate landfill gas emissions at five municipal solid waste landfills which have modern control technology for landfill gas emissions. Comprehensive testing was conducted on the raw landfill gas and the combustion outlet exhaust. The project had two ...

  2. Operational characteristics of thin film solid oxide fuel cells with ruthenium anode in natural gas

    NASA Astrophysics Data System (ADS)

    Takagi, Yuto; Kerman, Kian; Ko, Changhyun; Ramanathan, Shriram

    2013-12-01

    Direct utilization of hydrocarbons in low temperature solid oxide fuel cells is of growing interest in the landscape of alternative energy technologies. Here, we report on performance of self-supported micro-solid oxide fuel cells (μSOFCs) with ruthenium (Ru) nano-porous thin film anodes operating in natural gas and methane. The μSOFCs consist of 8 mol% yttria-stabilized zirconia thin film electrolytes, porous platinum cathodes and porous Ru anodes, and were tested with dry natural gas and methane as fuels and air as the oxidant. At 500 °C, comparable power densities of 410 mW cm-2 and 440 mW cm-2 were obtained with dry natural gas and methane, respectively. In weakly humidified natural gas, open circuit voltage of 0.95 V at 530 °C with peak power density of 800 mW cm-2 was realized. The μSOFC was continuously operated at constant voltage of 0.7 V with methane, where quasi-periodic oscillatory behavior of the performance was observed. Through post-operation XPS studies it was found that the oxidation state of Ru anode surfaces significantly differs depending on the fuel used, oxidation being enhanced with methane or natural gas. The nature of the oscillation is discussed based on the transition in surface oxygen coverage states and electro-catalytic activity of Ru anodes.

  3. Solar-wind krypton and solid/gas fractionation in the early solar nebula

    NASA Technical Reports Server (NTRS)

    Wiens, Roger C.; Burnett, D. S.; Neugebauer, M.; Pepin, R. O.

    1991-01-01

    The solar-system Kr abundance is calculated from solar-wind noble-gas ratios, determined previously by low-temperature oxidations of lunar ilmenite grains, normalized to Si by spacecraft solar-wind measurements. The estimated Kr-83 abundance of 4.1 + or - 1.5 per million Si atoms is within uncertainty of estimates assuming no fractionation, determined from CI-chondrite abundances of surrounding elements. This is significant because it is the first such constraint on solid/gas fractionation, though the large uncertainty only confines it to somewhat less than a factor of two.

  4. Ratio of solid to gas phase CO in the line of sight to W33A

    SciTech Connect

    Mitchell, G.F.; Allen, M.; Maillard, J.P.

    1988-10-01

    Spectroscopic observations of the IR source W33A, obtained in the M band (4.6 microns) at resolution 0.057/cm using the Fourier-transform spectrometer at the Cassegrain focus of the Canada-France-Hawaii Telescope on July 12-13, 1987, are reported. The spectrum is shown, and equivalent widths and CO column densities are presented in tables. The absorption lines detected indicate the presence of gas at both 23 and 120 K, attributed to the molecular-cloud core and gas near the source, respectively, but very little solid-phase CO. 11 references.

  5. Properties of a lithium solid electrolyte gas sensor based on reaction kinetics

    NASA Astrophysics Data System (ADS)

    Jasinski, Grzegorz; Jasinski, Piotr; Nowakowski, Antoni; Chachulski, Bogdan

    2006-01-01

    Principle of operation, construction and properties of a gas sensor based on lithium ion-conductor solid electrolyte (Lisicon) are presented. The sensor has been prepared using thick film technology. Its working principle is based on electric current acquisition, while a voltage ramp is applied to the sensor. The current-voltage plot has a unique shape, which depends on the surrounding gas type and its concentration. Results of measurements conducted in mixtures of high purity gases—nitrogen dioxide, sulfur dioxide, carbon dioxide and synthetic air of controlled concentration—over a wide range of temperatures are presented and discussed.

  6. Pore Scale Modeling of the Reactive Transport of Chromium in the Cathode of a Solid Oxide Fuel Cell

    SciTech Connect

    Ryan, Emily M.; Tartakovsky, Alexandre M.; Recknagle, Kurtis P.; Khaleel, Mohammad A.; Amon, Cristina

    2011-01-01

    We present a pore scale model of a solid oxide fuel cell (SOFC) cathode. Volatile chromium species are known to migrate from the current collector of the SOFC into the cathode where over time they decrease the voltage output of the fuel cell. A pore scale model is used to investigate the reactive transport of chromium species in the cathode and to study the driving forces of chromium poisoning. A multi-scale modeling approach is proposed which uses a cell level model of the cathode, air channel and current collector to determine the boundary conditions for a pore scale model of a section of the cathode. The pore scale model uses a discrete representation of the cathode to explicitly model the surface reactions of oxygen and chromium with a cathode material. The pore scale model is used to study the reaction mechanisms of chromium by considering the effects of reaction rates, diffusion coefficients, chromium vaporization, and oxygen consumption on chromium’s deposition in the cathode. The study shows that chromium poisoning is most significantly affected by the chromium reaction rates in the cathode and that the reaction rates are a function of the local current density in the cathode.

  7. Characteristics of dilute gas-solids suspensions in drag reducing flow

    NASA Technical Reports Server (NTRS)

    Kane, R. S.; Pfeffer, R.

    1973-01-01

    Measurements were performed on dilute flowing gas-solids suspensions and included data, with particles present, on gas friction factors, velocity profiles, turbulence intensity profiles, turbulent spectra, and particle velocity profiles. Glass beads of 10 to 60 micron diameter were suspended in air at Reynolds numbers of 10,000 to 25,000 and solids loading ratios from 0 to 4. Drag reduction was achieved for all particle sizes in vertical flow and for the smaller particle sizes in horizontal flow. The profile measurements in the vertical tube indicated that the presence of particles thickened the viscous sublayer. A quantitative theory based on particle-eddy interaction and viscous sublayer thickening has been proposed.

  8. Reactive Chemical Vapour Deposition of Titanium Carbide from H2-TiCl4 Gas Mixture on Pyrocarbon: A Comprehensive Study

    NASA Astrophysics Data System (ADS)

    Ledain, O.; Woelffel, W.; Roger, J.; Vignoles, G.; Maillé, L.; Jacques, S.

    In Reactive Chemical Vapour Deposition (RCVD), the absence of one element of the deposited carbide in the initial gas phase involves the consumption/conversion of the solid substrate. In this way, the growth of a continuous carbide layer on the substrate requires solid-phase diffusion of the reagent. In this work, a parametric study of the RCVD of titanium carbide from pyrocarbon (PyC) and an H2-TiCl4 mixture has been carried out. Conversion ratio, PyC consumption and carbide layer growth kinetics have been determined at 1000̊C. The influence of the H2/TiCl4 dilution ratio has been also investigated. The apparent inter-diffusion coefficient of the carbon through the TiC deposited layer and the direct apparent reaction rate were determined from a comparison between simulations based on a Deal-Grove-type model and the experimental results. The study has been completed with FTIR spectrometry analyses of the gases.

  9. Solid Sorbents for Removal of Carbon Dioxide from Gas Streams at Low Temperatures

    SciTech Connect

    Sirwardane, Ranjani V.

    2005-06-21

    New low-cost CO2 sorbents are provided that can be used in large-scale gas-solid processes. A new method is provided for making these sorbents that involves treating substrates with an amine and/or an ether so that the amine and/or ether comprise at least 50 wt. percent of the sorbent. The sorbent acts by capturing compounds contained in gaseous fluids via chemisorption and/or physisorption between the unit layers of the substrate's lattice where the polar amine liquids and solids and/or polar ether liquids and solids are located. The method eliminates the need for high surface area supports and polymeric materials for the preparation of CO2 capture systems, and provides sorbents with absorption capabilities that are independent of the sorbents' surface areas. The sorbents can be regenerated by heating at temperatures in excess of 35 degrees C.

  10. Explorations into thermodynamics analogies and critical points in reference to gas-solid transport

    SciTech Connect

    Mathur, M.P.; Wildman, D.; Tuba, S.T.; Klinzing, G.E.

    1984-01-01

    The use of analogies to explain transport processes is not new. The idea of borrowing concepts from thermodynamics and applying them to transport cases are also known. Experimental data from several investigators where the solid voidage has been determined experimentally have been analyzed to test the ability of a cubic van der Waals equation to represent the solid flow, gas flow and voidage. Using the van der Waals format phase diagrams have been constructed for a number of particulate systems which have been scrutinized. From this information the critical properties of the solids can be found. A generalized reduced properties plot has been constructed and has been shown to be unique in representing all the data. Exploration into the pressure drop domain has shown a relationship between the phase diagrams by an analytical approach. 9 references, 8 figures, 1 table.

  11. Explorations into thermodynamic analogies and critical points in reference to gas-solid transport

    SciTech Connect

    Mathur, M.P.; Klinzing, G.E.; Tuba, S.T.; Wildman, D.J.

    1984-01-01

    The use of analogies to explain transport processes is not new, nor is the idea of borrowing concepts from thermodynamics and applying them to transport phenomena. Experimental data from several investigations, where the solid voidage has been determined experimentally, have been analyzed to test the ability of a cubi van der Waals equation to represent the solid flow, gas flow, and voidage. Using the van der Waals format, phase diagrams have been constructed for a number of particulate systems. From this information, the critical properties of the solids can be found. A generalized reduced-properties plot seems to correlate the existing data satisfactorily. The same approach is pursued to interpret the pressure drop data.

  12. Explorations into thermodynamic analogies and critical points in reference to gas-solid transport

    SciTech Connect

    Mathur, M.P.; Wildman, D.J.; Tuba, S.T.; Klinzing, G.E.

    1984-11-01

    The use of analogies to explain transport processes is not new, nor is the idea of borrowing concepts from thermodynamics and applying them to transport phenomena. Experimental data from several investigations, where the solid voidage has been determined experimentally, have been analyzed to test the ability of a cubic van der Waals equation to represent the solid flow, gas flow, and voidage. Using the van der Waals format, phase diagrams have been constructed for a number of particulate systems. From this information, the critical properties of the solids can be found. A generalized reduced-properties plot seems to correlate the existing data satisfactorily. The same approach is pursued to interpret the pressure drop data. 10 refs., 8 figs.

  13. Solid sorbents for removal of carbon dioxide from gas streams at low temperatures

    DOEpatents

    Sirwardane, Ranjani V.

    2005-06-21

    New low-cost CO.sub.2 sorbents are provided that can be used in large-scale gas-solid processes. A new method is provided for making these sorbents that involves treating substrates with an amine and/or an ether so that the amine and/or ether comprise at least 50 wt. percent of the sorbent. The sorbent acts by capturing compounds contained in gaseous fluids via chemisorption and/or physisorption between the unit layers of the substrate's lattice where the polar amine liquids and solids and/or polar ether liquids and solids are located. The method eliminates the need for high surface area supports and polymeric materials for the preparation of CO.sub.2 capture systems, and provides sorbents with absorption capabilities that are independent of the sorbents' surface areas. The sorbents can be regenerated by heating at temperatures in excess of 35.degree. C.

  14. A pyrolysis/gas chromatographic method for the determination of hydrogen in solid samples.

    PubMed

    Carr, R H; Bustin, R; Gibson, E K

    1987-01-01

    A method is described for the determination of hydrogen in solid samples. The sample is heated under vacuum after which the evolved gases are separated by gas chromatography with a helium ionization detector. The system is calibrated by injecting known amounts of hydrogen, as determined manometrically. The method, which is rapid and reliable, was checked for a variety of lunar soils; the limit of detection is about 10 ng of hydrogen. PMID:11542122

  15. Air cooling of disk of a solid integrally cast turbine rotor for an automotive gas turbine

    NASA Technical Reports Server (NTRS)

    Gladden, H. J.

    1977-01-01

    A thermal analysis is made of surface cooling of a solid, integrally cast turbine rotor disk for an automotive gas turbine engine. Air purge and impingement cooling schemes are considered and compared with an uncooled reference case. Substantial reductions in blade temperature are predicted with each of the cooling schemes studied. It is shown that air cooling can result in a substantial gain in the stress-rupture life of the blade. Alternatively, increases in the turbine inlet temperature are possible.

  16. A pyrolysis/gas chromatographic method for the determination of hydrogen in solid samples

    NASA Technical Reports Server (NTRS)

    Carr, R. H.; Bustin, R.; Gibson, E. K.

    1987-01-01

    A method is described for the determination of hydrogen in solid samples. The sample is heated under vacuum after which the evolved gases are separated by gas chromatography with a helium ionization detector. The system is calibrated by injecting known amounts of hydrogen, as determined manometrically. The method, which is rapid and reliable, was checked for a variety of lunar soils; the limit of detection is about 10 ng of hydrogen.

  17. Prototype demonstration of dual sorbent injection for acid gas control on municipal solid waste combustion units

    SciTech Connect

    1994-05-01

    This report gathered and evaluated emissions and operations data associated with furnace injection of dry hydrated lime and duct injection of dry sodium bicarbonate at a commercial, 1500 ton per day, waste-to-energy facility. The information compiled during the project sheds light on these sorbents to affect acid gas emissions from municipal solid waste combustors. The information assesses the capability of these systems to meet the 1990 Clean Air Act and 1991 EPA Emission Guidelines.

  18. Characterization of landfill gas composition at the Fresh Kills municipal solid-waste landfill

    SciTech Connect

    Eklund, B.; Anderson, E.P.; Walker, B.L.; Burrows, D.B.

    1998-08-01

    The most common disposal method in the US for municipal solid waste (MSW) is burial in landfills. Until recently, air emissions from these landfills were not regulated. Under the New Source Performance Standards and Emission Guidelines for MSW landfills, MSW operators are required to determine the nonmethane organic gas generation rate of their landfill through modeling and/or measurements. This paper summarizes speciated nonmethane organic compound (NMOC) measurement data collected during an intensive, short-term field program. Over 250 separate landfill gas samples were collected from emission sources at the Fresh Kills landfill in New York City and analyzed for approximately 150 different analytes. The average total NMOC value for the landfill was 438 ppmv (as hexane) versus the regulatory default value of 4,000 ppmv (as hexane). Over 70 individual volatile organic compounds (VOCs) were detected and quantified in the landfill gas samples. The typical gas composition for this landfill was determined as well as estimates of the spatial, temporal, and measurement variability in the gas composition. The data for NMOC show that the gas composition within the landfill is equivalent to the composition of the gas exiting the landfill through passive vents and through the soil cover.

  19. Measurement of Gas Velocities in the Presence of Solids in the Riser of a Cold Flow Circulating Fluidized Bed

    SciTech Connect

    Spenik, J.; Ludlow, J.C.; Compston, R.; Breault, R.W.

    2007-01-01

    The local gas velocity and the intensity of the gas turbulence in a gas/solid flow are a required measurement in validating the gas and solids flow structure predicted by computational fluid dynamic (CFD) models in fluid bed and transport reactors. The high concentration and velocities of solids, however, make the use of traditional gas velocity measurement devices such as pitot tubes, hot wire anemometers and other such devices difficult. A method of determining these velocities has been devised at the National Energy Technology Laboratory employing tracer gas. The technique developed measures the time average local axial velocity gas component of a gas/solid flow using an injected tracer gas which induces changes in the heat transfer characteristics of the gas mixture. A small amount of helium is injected upstream a known distance from a self-heated thermistor. The thermistor, protected from the solids by means of a filter, is exposed to gases that are continuously extracted from the flow. Changes in the convective heat transfer characteristics of the gas are indicated by voltage variations across a Wheatstone bridge. When pulsed injections of helium are introduced to the riser flow the change in convective heat transfer coefficient of the gas can be rapidly and accurately determined with this instrument. By knowing the separation distance between the helium injection point and the thermistor extraction location as well as the time delay between injection and detection, the gas velocity can easily be calculated. Variations in the measured gas velocities also allow the turbulence intensity of the gas to be estimated.

  20. Methanesulfonyl Azide: Molecular Structure and Photolysis in Solid Noble Gas Matrices.

    PubMed

    Deng, Guohai; Li, Dingqing; Wu, Zhuang; Li, Hongmin; Bernhardt, Eduard; Zeng, Xiaoqing

    2016-07-21

    The parent sulfonyl azide CH3SO2N3 has been characterized in a neat form by IR (gas, matrix-isolation) and Raman (solid) spectroscopy, and its structure has been established by X-ray crystallography. In both gas phase and solid state, the azide exhibits single conformation with the azido ligand being synperiplanar to one of the two S═O groups. In the crystal molecules of CH3SO2N3 are interconnected through three-dimensional O···H-C-H···O hydrogen bonds. Upon an ArF laser (193 nm) photolysis, the azide in solid noble gas matrices splits off N2 and yields the sulfonyl nitrene CH3SO2N in the triplet ground state. Subsequent photolysis with UV light (266 nm) causes the transformation from the nitrene to the pseudo-Curtius rearrangement product CH3NSO2. The identification of the photolysis intermediates by matrix-isolation IR spectroscopy is supported by quantum chemical calculations with DFT methods. PMID:27383463

  1. Research of the gas-solid flow character based on the DEM method

    NASA Astrophysics Data System (ADS)

    Wang, Xueyao; Xiao, Yunhan

    2011-12-01

    Numerical simulation of gas-solid flow behaviors in a rectangular fluidized bed is carried out three dimensionally by the discrete element method (DEM). Euler method and Lagrange method are employed to deal with the gas phase and solid phase respectively. The collided force among particles, striking force between particle and wall, drag force, gravity, Magnus lift force and Saffman lift force are considered when establishing the mathematic models. Soft-sphere model is used to describe the collision of particles. In addition, the Euler method is also used for modeling the solid phase to compare with the results of DEM. The flow patterns, particle mean velocities, particles' diffusion and pressure drop of the bed under typical operating conditions are obtained. The results show that the DEM method can describe the detailed information among particles, while the Euler-Euler method cannot capture the micro-scale character. No matter which method is used, the diffusion of particles increases with the increase of gas velocity. But the gathering and crushing of particles cannot be simulated, so the energy loss of particles' collision cannot be calculated and the diffusion by using the Euler-Euler method is larger. In addition, it is shown by DEM method, with strengthening of the carrying capacity, more and more particles can be schlepped upward and the dense suspension upflow pattern can be formed. However, the results given by the Euler-Euler method are not consistent with the real situation.

  2. Coupling between geochemical reactions and multicomponent gas and solute transport in unsaturated media: A reactive transport modeling study

    NASA Astrophysics Data System (ADS)

    Molins, S.; Mayer, K. U.

    2007-05-01

    The two-way coupling that exists between biogeochemical reactions and vadose zone transport processes, in particular gas phase transport, determines the composition of soil gas. To explore these feedback processes quantitatively, multicomponent gas diffusion and advection are implemented into an existing reactive transport model that includes a full suite of geochemical reactions. Multicomponent gas diffusion is described on the basis of the dusty gas model, which accounts for all relevant gas diffusion mechanisms. The simulation of gas attenuation in partially saturated landfill soil covers, methane production, and oxidation in aquifers contaminated by organic compounds (e.g., an oil spill site) and pyrite oxidation in mine tailings demonstrate that both diffusive and advective gas transport can be affected by geochemical reactions. Methane oxidation in landfill covers reduces the existing upward pressure gradient, thereby decreasing the contribution of advective methane emissions to the atmosphere and enhancing the net flux of atmospheric oxygen into the soil column. At an oil spill site, methane oxidation causes a reversal in the direction of gas advection, which results in advective transport toward the zone of oxidation both from the ground surface and the deeper zone of methane production. Both diffusion and advection contribute to supply atmospheric oxygen into the subsurface, and methane emissions to the atmosphere are averted. During pyrite oxidation in mine tailings, pressure reduction in the reaction zone drives advective gas flow into the sediment column, enhancing the oxidation process. In carbonate-rich mine tailings, calcite dissolution releases carbon dioxide, which partly offsets the pressure reduction caused by O2 consumption.

  3. Possibilities of mercury removal in the dry flue gas cleaning lines of solid waste incineration units.

    PubMed

    Svoboda, Karel; Hartman, Miloslav; Šyc, Michal; Pohořelý, Michael; Kameníková, Petra; Jeremiáš, Michal; Durda, Tomáš

    2016-01-15

    Dry methods of the flue gas cleaning (for HCl and SO2 removal) are useful particularly in smaller solid waste incineration units. The amount and forms of mercury emissions depend on waste (fuel) composition, content of mercury and chlorine and on the entire process of the flue gas cleaning. In the case of high HCl/total Hg molar ratio in the flue gas, the majority (usually 70-90%) of mercury is present in the form of HgCl2 and a smaller amount in the form of mercury vapors at higher temperatures. Removal of both main forms of mercury from the flue gas is dependent on chemical reactions and sorption processes at the temperatures below approx. 340 °C. Significant part of HgCl2 and a small part of elemental Hg vapors can be adsorbed on fly ash and solid particle in the air pollution control (APC) processes, which are removed in dust filters. Injection of non-impregnated active carbon (AC) or activated lignite coke particles is able to remove mainly the oxidized Hg(2+) compounds. Vapors of metallic Hg(o) are adsorbed relatively weakly. Much better chemisorption of Hg(o) together with higher sorbent capacity is achieved by AC-based sorbents impregnated with sulfur, alkali poly-sulfides, ferric chloride, etc. Inorganic sorbents with the same or similar chemical impregnation are also applicable for deeper Hg(o) removal (over 85%). SCR catalysts convert part of Hg(o) into oxidized compounds (HgO, HgCl2, etc.) contributing to more efficient Hg removal, but excess of NH3 has a negative effect. Both forms, elemental Hg(o) and HgCl2, can be converted into HgS particles by reacting with droplets/aerosol of poly-sulfides solutions/solids in flue gas. Mercury captured in the form of water insoluble HgS is more advantageous in the disposal of solid waste from APC processes. Four selected options of the dry flue gas cleaning with mercury removal are analyzed, assessed and compared (in terms of efficiency of Hg-emission reduction and costs) with wet methods and retrofits for more

  4. Modeling of fault reactivation and induced seismicity during hydraulic fracturing of shale-gas reservoirs

    SciTech Connect

    Rutqvist, Jonny; Rinaldi, Antonio P.; Cappa, Frédéric; Moridis, George J.

    2013-07-01

    We have conducted numerical simulation studies to assess the potential for injection-induced fault reactivation and notable seismic events associated with shale-gas hydraulic fracturing operations. The modeling is generally tuned towards conditions usually encountered in the Marcellus shale play in the Northeastern US at an approximate depth of 1500 m (~;;4,500 feet). Our modeling simulations indicate that when faults are present, micro-seismic events are possible, the magnitude of which is somewhat larger than the one associated with micro-seismic events originating from regular hydraulic fracturing because of the larger surface area that is available for rupture. The results of our simulations indicated fault rupture lengths of about 10 to 20 m, which, in rare cases can extend to over 100 m, depending on the fault permeability, the in situ stress field, and the fault strength properties. In addition to a single event rupture length of 10 to 20 m, repeated events and aseismic slip amounted to a total rupture length of 50 m, along with a shear offset displacement of less than 0.01 m. This indicates that the possibility of hydraulically induced fractures at great depth (thousands of meters) causing activation of faults and creation of a new flow path that can reach shallow groundwater resources (or even the surface) is remote. The expected low permeability of faults in producible shale is clearly a limiting factor for the possible rupture length and seismic magnitude. In fact, for a fault that is initially nearly-impermeable, the only possibility of larger fault slip event would be opening by hydraulic fracturing; this would allow pressure to penetrate the matrix along the fault and to reduce the frictional strength over a sufficiently large fault surface patch. However, our simulation results show that if the fault is initially impermeable, hydraulic fracturing along the fault results in numerous small micro-seismic events along with the propagation, effectively

  5. Role of fluctuations in instability generation in gas-solid suspensions

    NASA Astrophysics Data System (ADS)

    Subramaniam, Shankar; Mehrabadi, Mohammad; Kolakaluri, Ravi; Tenneti, Sudheer

    2013-11-01

    Stability analysis of gas-solid suspensions using kinetic theory (Koch, Phys. Fluids, 1990) relies on a number density function (NDF) that is based on the canonical (constant number) ensemble. Euler-Lagrange simulations of a model problem are used to show that this approach does not accurately represent the scale-dependent interphase coupling between different realizations of the gas velocity field and fluctuations in the number of particles naturally occurring in fluidized beds. The grand-canonical (or variable number) ensemble is better suited to representing this coupling, and it is shown how the NDF can be related to this ensemble. The evolution of the grand-canonical NDF then leads to instabilities and growth of spatial fluctuations in the number density of a homogeneous suspension. This analysis leads to a different explanation for the growth of instabilities in homogeneous gas-solid suspensions that does not require perturbations in the average number density. Rather it is shown that the interaction of different realizations of the gas velocity field with individual realizations of the particle field leads to the growth of instabilities due to the dependence of drag on local volume fraction in each realization, that is extracted from particle-resolved DNS data. This work is partially supported by NSF CBET 1134500.

  6. Greenhouse gas emissions from two-stage landfilling of municipal solid waste

    NASA Astrophysics Data System (ADS)

    Zhang, Yuanyuan; Yue, Dongbei; Nie, Yongfeng

    2012-08-01

    Simulations were conducted to investigate greenhouse gas emissions from aerobic pretreatment and subsequent landfilling. The flows in carbon balance, such as gas, leachate, and solid phases, were considered in the simulations. The total amount of CO2 eq. decreased as organic removal efficiency (ORE) increased. At ORE values of 0, 0.30, 0.41, and 0.54, the total amounts of CO2 eq. were 2614, 2326, 2075, and 1572 kg CO2 eq. per one ton dry matter, respectively; gas accounted for the main contribution to the total amount. The reduction in CO2 eq. from leachate was the primary positive contribution, accounting for 356%, 174%, and 100% of total reduction at ORE values of 0.30, 0.41, and 0.54, respectively. The CO2 eq. from energy consumption was the negative contribution to total reduction, but this contribution is considerably lower than that from gas. Aerobic pretreatment shortened the lag time of biogas production by 74.1-97.0%, and facilitated the transfer of organic carbon in solid waste from uncontrolled biogas and highly polluting leachate to aerobically generated CO2.

  7. Analysis of ammonium nitrate headspace by on-fiber solid phase microextraction derivatization with gas chromatography mass spectrometry.

    PubMed

    Lubrano, Adam L; Andrews, Benjamin; Hammond, Mark; Collins, Greg E; Rose-Pehrsson, Susan

    2016-01-15

    A novel analytical method has been developed for the quantitation of trace levels of ammonia in the headspace of ammonium nitrate (AN) using derivatized solid phase microextraction (SPME) fibers with gas chromatography mass spectrometry (GC-MS). Ammonia is difficult to detect via direct injection into a GC-MS because of its low molecular weight and extreme polarity. To circumvent this issue, ammonia was derivatized directly onto a SPME fiber by the reaction of butyl chloroformate coated fibers with the ammonia to form butyl carbamate. A derivatized externally sampled internal standard (dESIS) method based upon the reactivity of diethylamine with unreacted butyl chloroformate on the SPME fiber to form butyl diethylcarbamate was established for the reproducible quantification of ammonia concentration. Both of these compounds are easily detectable and separable via GC-MS. The optimized method was then used to quantitate the vapor concentration of ammonia in the headspace of two commonly used improvised explosive device (IED) materials, ammonium nitrate fuel oil (ANFO) and ammonium nitrate aluminum powder (Ammonal), as well as identify the presence of additional fuel components within the headspace. PMID:26718189

  8. Development of acoustic flow instruments for solid/gas pipe flows

    SciTech Connect

    Sheen, S.H.; Raptis, A.C.

    1986-05-01

    Two nonintrusive acoustic flow sensing techniques are reported. One technique, passive in nature, simply measures the bandpassed acoustic noise level produced by particle/particle and particle/wall collisions. The noise levels, given in true RMS voltages or in autocorrelations, show a linear relationship to particle velocity but increase with solid concentration. Therefore, the passive technique requires calibration and a separate measure of solid concentration before it can be used to monitor the particle velocity. The second technique is based on the active cross-correlation principle. It measures particle velocity directly by correlating flow-related signatures at two sensing stations. The velocity data obtained by this technique are compared with measurements by a radioactive-particle time-of-flight (TOF) method. A multiplier of 1.53 is required to bring the acoustic data into agreement with the radioactive TOF result. The difference may originate from the difference in flow fields where particles are detected. The radioactive method senses particles mainly in the turbulent region and essentially measures average particle velocity across the pipe, while the acoustic technique detects particles near the pipe wall, and so measures the particle velocity in the viscous sublayer. Both techniques were tested in flows of limestone and air and 1-mm glass beads and air at the Argonne National Laboratory Solid/Gas Test Facility (SGFTF). The test matrix covered solid velocities of 20 to 30 m/s in a 2-in. pipe and solid-to-gas loading ratios of 6 to 22. 37 refs., 19 figs., 4 tabs.

  9. Solid state precursor strategy for synthesizing hollow TiO2 boxes with a high percentage of reactive {001} facets exposed.

    PubMed

    Xie, Shuifen; Han, Xiguang; Kuang, Qin; Fu, Jie; Zhang, Lei; Xie, Zhaoxiong; Zheng, Lansun

    2011-06-21

    Three-dimensional, hollow, anatase TiO(2) boxes, each was enclosed by six single-crystalline TiO(2) plates exposed with highly reactive {001} facets, were facilely obtained by calcining a cubic TiOF(2) solid precursor at 500-600 °C. The formation of such particular nanostructures is attributed to the hard self-template restriction and the adsorption of F(-) ions from the TiOF(2). PMID:21559545

  10. Heterogeneous Chemistry of Lipopolysaccharides with Gas-Phase Nitric Acid: Reactive Sites and Reaction Pathways.

    PubMed

    Trueblood, Jonathan V; Estillore, Armando D; Lee, Christopher; Dowling, Jacqueline A; Prather, Kimberly A; Grassian, Vicki H

    2016-08-18

    Recent studies have shown that sea spray aerosol (SSA) has a size-dependent, complex composition consisting of biomolecules and biologically derived organic compounds in addition to salts. This additional chemical complexity most likely influences the heterogeneous reactivity of SSA, as these other components will have different reactive sites and reaction pathways. In this study, we focus on the reactivity of a class of particles derived from some of the biological components of sea spray aerosol including lipopolysaccharides (LPS) that undergo heterogeneous chemistry within the reactive sites of the biological molecule. Examples of these reactions and the relevant reactive sites are proposed as follows: R-COONa(s) + HNO3(g) → NaNO3 + R-COOH and R-HPO4Na(s) + HNO3(g) → NaNO3 + R-H2PO4. These reactions may be a heterogeneous pathway not only for sea spray aerosol but also for a variety of other types of atmospheric aerosol as well. PMID:27445084

  11. Instability phenomenon in an external-loop three-phase gas-liquid-solid airlift reactor

    SciTech Connect

    Douek, R.S.; Livingston, A.G.; Hewitt, G.F.

    1995-11-01

    Three-phase airlift (TPAL) reactors have applications ranging from biotechnology to catalytic hydrogenation. Circulation in a loop consisting of a riser and downcomer with top and bottom connections is induced by injecting gas at the bottom of the riser. The continuous liquid phase recirculates up the riser and down the downcomer, carrying the solid phase in suspension. A hydrodynamic model was developed for TPAL reactors which enables the prediction of main variables of a TPAL reactor (phase holdups and liquid recirculation velocity) as a function of the inlet gas superficial velocity and the solids loading. This model considers a TPAL reactor to comprise riser and downcomer sections alone; the difference in the effective densities between these regions gives rise to the recirculation. As part of a program of experimental work aimed at verifying this model, it was decided to carry out experiments on an external-loop reactor which would generate direct measurements of the required riser and downcomer hydrodynamic parameters. During the course of these experiments, however,a surprising and before now unreported instability phenomenon was observed. This behavior prevented the system from reaching a steady distribution of solids. In general, instabilities are undesirable since they could adversely affect the system control and performance. The objective of this article is to describe the observed phenomenon and attempt to explain why it occurs.

  12. Kerr-AdS analogue of triple point and solid/liquid/gas phase transition

    NASA Astrophysics Data System (ADS)

    Altamirano, Natacha; Kubizňák, David; Mann, Robert B.; Sherkatghanad, Zeinab

    2014-02-01

    We study the thermodynamic behavior of multi-spinning d = 6 Kerr-anti de Sitter black holes in the canonical ensemble of fixed angular momenta J1 and J2. We find, dependent on the ratio q = J2/J1, qualitatively different interesting phenomena known from the ‘every day thermodynamics’ of simple substances. For q = 0 the system exhibits recently observed reentrant large/small/large black hole phase transitions, but for 0 < q ≪ 1 we find an analogue of a ‘solid/liquid’ phase transition. Furthermore, for q ∈ (0.00905, 0.0985) the system displays the presence of a large/intermediate/small black hole phase transition with two critical and one triple (or tricritical) points. This behavior is reminiscent of the solid/liquid/gas phase transition except that the coexistence line of small and intermediate black holes does not continue for an arbitrary value of pressure (similar to the solid/liquid coexistence line) but rather terminates at one of the critical points. Finally, for q > 0.0985 we observe the ‘standard liquid/gas behavior’ of the Van der Waals fluid.

  13. Spectroscopic Characterization and Reactivity of Triplet and Quintet Iron(IV) Oxo Complexes in the Gas Phase

    PubMed Central

    Andris, Erik; Jašík, Juraj; Gómez, Laura

    2016-01-01

    Abstract Closely structurally related triplet and quintet iron(IV) oxo complexes with a tetradentate aminopyridine ligand were generated in the gas phase, spectroscopically characterized, and their reactivities in hydrogen‐transfer and oxygen‐transfer reactions were compared. The spin states were unambiguously assigned based on helium tagging infrared photodissociation (IRPD) spectra of the mass‐selected iron complexes. It is shown that the stretching vibrations of the nitrate counterion can be used as a spectral marker of the central iron spin state. PMID:26878833

  14. Spontaneous concentrations of solids through two-way drag forces between gas and sedimenting particles

    NASA Astrophysics Data System (ADS)

    Lambrechts, M.; Johansen, A.; Capelo, H. L.; Blum, J.; Bodenschatz, E.

    2016-06-01

    The behaviour of sedimenting particles depends on the dust-to-gas ratio of the fluid. Linear stability analysis shows that solids settling in the Epstein drag regime would remain homogeneously distributed in non-rotating incompressible fluids, even when dust-to-gas ratios reach unity. However, the nonlinear evolution has not been probed before. Here, we present numerical calculations indicating that, in a particle-dense mixture, solids spontaneously mix out of the fluid and form swarms that are overdense in particles by at least a factor 10. The instability is caused by mass-loaded regions locally breaking the equilibrium background stratification. The driving mechanism depends on nonlinear perturbations of the background flow and shares some similarity to the streaming instability in accretion discs. The resulting particle-rich swarms may stimulate particle growth by coagulation. In the context of protoplanetary discs, the instability could be relevant for aiding small particles to settle to the midplane in the outer disc. Inside the gas envelopes of protoplanets, enhanced settling may lead to a reduced dust opacity, which facilitates the contraction of the envelope. We show that the relevant physical set up can be recreated in a laboratory setting. This will allow our numerical calculations to be investigated experimentally in the future.

  15. Ozone uptake and formation of reactive oxygen intermediates on glassy, semi-solid and liquid organic matter

    NASA Astrophysics Data System (ADS)

    Berkemeier, Thomas; Steimer, Sarah S.; Krieger, Ulrich K.; Peter, Thomas; Pöschl, Ulrich; Ammann, Markus; Shiraiwa, Manabu

    2016-04-01

    Heterogeneous and multiphase reactions of ozone are important pathways for chemical ageing of atmospheric organic aerosols (Abbatt, Lee and Thornton, 2012). The effects of particle phase state on the reaction kinetics are still not fully elucidated and cannot be described by classical models assuming a homogeneous condensed phase (Berkemeier et al., 2013). We apply a kinetic multi-layer model, explicitly resolving gas adsorption, condensed phase diffusion and condensed phase chemistry (Shiraiwa et al., 2010), to systematic measurements of ozone uptake onto proxies for secondary organic aerosols (SOA). Our findings show how moisture-induced phase changes affect the gas uptake and chemical transformation of organic matter through change in the physicochemical properties of the substrate: the diffusion coefficients are found to be low under dry conditions, but increase by several orders of magnitude toward higher relative humidity (RH). The solubility of ozone in the dry organic matrix is found to be one order of magnitude higher than in the dilute aqueous solution. The model simulations reveal that at high RH, ozone uptake is mainly controlled by reaction throughout the particle bulk, whereas at low RH, bulk diffusion is retarded severely and reaction at the surface becomes the dominant pathway, with ozone uptake being limited by replenishment of unreacted organic molecules from the bulk phase. The experimental results can only be reconciled including a pathway for ozone self-reaction, which becomes especially important under dry and polluted conditions. Ozone self-reaction can be interpreted as formation and recombination of long-lived reactive oxygen intermediates at the aerosol surface, which could also explain several kinetic parameters and has implications for the health effects of organic aerosol particles. This study hence outlines how kinetic modelling can be used to gain mechanistic insight into the coupling of mass transport, phase changes, and chemical

  16. Conversion of tomato, peach and honeydew solid waste into methane gas

    SciTech Connect

    Hills, D.J.; Roberts, D.W.

    1982-01-01

    Results from a laboratory investigation on the title conversion and seasonal operation of a pilot-plant size digester are presented. For 4-L laboratory digesters operating at 35 degrees, the respective optimal loading rates and retention times for tomato, honeydew, and peach residues, were 5, 3, and 1 kg volatile solids (VS)/cubic meter-day and 25, 20, and 15 days. Under these operating conditions 33, 83, and 86% of VS were destroyed for tomato, honeydew and peach residues, respectively, and the corresponding gas productions at 0 degrees and 1 atm. were 0.43, 2.45, and 1.15 vol./digester vol-day. Operation of the 22-cubic meter pilot plant generally confirmed the laboratory data for tomato solid waste.

  17. Comparative modeling of fault reactivation and seismicity in geologic carbon storage and shale-gas reservoir stimulation

    NASA Astrophysics Data System (ADS)

    Rutqvist, Jonny; Rinaldi, Antonio; Cappa, Frederic

    2016-04-01

    The potential for fault reactivation and induced seismicity are issues of concern related to both geologic CO2 sequestration and stimulation of shale-gas reservoirs. It is well known that underground injection may cause induced seismicity depending on site-specific conditions, such a stress and rock properties and injection parameters. To date no sizeable seismic event that could be felt by the local population has been documented associated with CO2 sequestration activities. In the case of shale-gas fracturing, only a few cases of felt seismicity have been documented out of hundreds of thousands of hydraulic fracturing stimulation stages. In this paper we summarize and review numerical simulations of injection-induced fault reactivation and induced seismicity associated with both underground CO2 injection and hydraulic fracturing of shale-gas reservoirs. The simulations were conducted with TOUGH-FLAC, a simulator for coupled multiphase flow and geomechanical modeling. In this case we employed both 2D and 3D models with an explicit representation of a fault. A strain softening Mohr-Coulomb model was used to model a slip-weakening fault slip behavior, enabling modeling of sudden slip that was interpreted as a seismic event, with a moment magnitude evaluated using formulas from seismology. In the case of CO2 sequestration, injection rates corresponding to expected industrial scale CO2 storage operations were used, raising the reservoir pressure until the fault was reactivated. For the assumed model settings, it took a few months of continuous injection to increase the reservoir pressure sufficiently to cause the fault to reactivate. In the case of shale-gas fracturing we considered that the injection fluid during one typical 3-hour fracturing stage was channelized into a fault along with the hydraulic fracturing process. Overall, the analysis shows that while the CO2 geologic sequestration in deep sedimentary formations are capable of producing notable events (e

  18. The Penetration Behavior of an Annular Gas-Solid Jet Impinging on a Liquid Bath: The Effects of the Density and Size of Solid Particles

    NASA Astrophysics Data System (ADS)

    Chang, J. S.; Sohn, H. Y.

    2012-08-01

    Top-blow injection of a gas-solid jet through a circular lance is used in the Mitsubishi Continuous Smelting Process. One problem associated with this injection is the severe erosion of the hearth refractory below the lances. A new configuration of the lance to form an annular gas-solid jet rather than the circular jet was designed in this laboratory. With this new configuration, the solid particles fed through the center tube leave the lance at a much lower velocity than the gas, and the penetration behavior of the jet is significantly different from that with a circular lance where the solid particles leave the lance at the same high velocity as the gas. In previous cold-model investigations in this laboratory, the effects of the gas velocity, particle feed rate, lance height of the annular lance, and the cross-sectional area of the gas jet were studied and compared with the circular lance. This study examined the effect of the density and size of the solid particles on the penetration behavior of the annular gas-solid jet, which yielded some unexpected results. The variation in the penetration depth with the density of the solid particles at the same mass feed rate was opposite for the circular lance and the annular lance. In the case of the circular lance, the penetration depth became shallower as the density of the solid particles increased; on the contrary, for the annular lance, the penetration depth became deeper with the increasing density of particles. However, at the same volumetric feed rate of the particles, the density effect was small for the circular lance, but for the annular lance, the jets with higher density particles penetrated more deeply. The variation in the penetration depth with the particle diameter was also different for the circular and the annular lances. With the circular lance, the penetration depth became deeper as the particle size decreased for all the feed rates, but with the annular lance, the effect of the particle size was

  19. Feed gas contaminant removal in ion transport membrane systems

    DOEpatents

    Underwood, Richard Paul; Makitka, III, Alexander; Carolan, Michael Francis

    2012-04-03

    An oxygen ion transport membrane process wherein a heated oxygen-containing gas having one or more contaminants is contacted with a reactive solid material to remove the one or more contaminants. The reactive solid material is provided as a deposit on a support. The one or more contaminant compounds in the heated oxygen-containing gas react with the reactive solid material. The contaminant-depleted oxygen-containing gas is contacted with a membrane, and oxygen is transported through the membrane to provide transported oxygen.

  20. Revisiting low-fidelity two-fluid models for gas-solids transport

    NASA Astrophysics Data System (ADS)

    Adeleke, Najeem; Adewumi, Michael; Ityokumbul, Thaddeus

    2016-08-01

    Two-phase gas-solids transport models are widely utilized for process design and automation in a broad range of industrial applications. Some of these applications include proppant transport in gaseous fracking fluids, air/gas drilling hydraulics, coal-gasification reactors and food processing units. Systems automation and real time process optimization stand to benefit a great deal from availability of efficient and accurate theoretical models for operations data processing. However, modeling two-phase pneumatic transport systems accurately requires a comprehensive understanding of gas-solids flow behavior. In this study we discuss the prevailing flow conditions and present a low-fidelity two-fluid model equation for particulate transport. The model equations are formulated in a manner that ensures the physical flux term remains conservative despite the inclusion of solids normal stress through the empirical formula for modulus of elasticity. A new set of Roe-Pike averages are presented for the resulting strictly hyperbolic flux term in the system of equations, which was used to develop a Roe-type approximate Riemann solver. The resulting scheme is stable regardless of the choice of flux-limiter. The model is evaluated by the prediction of experimental results from both pneumatic riser and air-drilling hydraulics systems. We demonstrate the effect and impact of numerical formulation and choice of numerical scheme on model predictions. We illustrate the capability of a low-fidelity one-dimensional two-fluid model in predicting relevant flow parameters in two-phase particulate systems accurately even under flow regimes involving counter-current flow.

  1. Particle velocity and solid volume fraction measurements with a new capacitive flowmeter at the Solid/Gas Flow Test Facility. [Glass beads

    SciTech Connect

    Bobis, J.P.; Porges, K.G.A.; Raptis, A.C.; Brewer, W.E.; Bernovich, L.T.

    1986-08-01

    The performance of a new capacitive flowmeter has been assessed experimentally in a gas-entrained solid flow stream at the Argonne National Laboratory (ANL) Solid/Gas Flow Test Facility (S/GFTF) for solid feedrates in the range of 0.5 to 2 kg/s and solid-gas loadings up to 22, corresponding to a range of solid volume fractions extending from 0.004 to 0.016. Two types of nonintrusive instruments using the capacitive principle were fabricated at ANL and installed in the horizontal leg of a 12.3 m test section to sense the solids. An improved electrode geometry designed to maximize the coverage of the duct interior while minimizing the readout error due to a nonuniform electric field, was incorporated for one spoolpiece with the sensing electrodes on the outside surface of a ceramic liner and for another spoolpiece with the sensing electrodes mounted flush with the duct inside surface. The capacitive instruments measured the solid volume fraction and the average particle velocity. The results are compared with time-of-flight measurements of short-lived radioactive particles that duplicate closely the size and density of the 1000..mu.. glass beads used in these flow tests. Results show that the solid volume fraction measurements agree with the theoretical models presented and that the particle velocity deduced from the cross-correlation scheme agreed to within 5% of the irradiated particle velocity technique for the 21 to 31 m/s range generated with the S/GFTF. 43 refs., 36 figs., 19 tabs.

  2. An extended soft-cube model for the thermal accommodation of gas atoms on solid surfaces

    NASA Technical Reports Server (NTRS)

    Burke, J. R.; Hollenbach, D. J.

    1980-01-01

    A numerical soft cube model was developed for calculating thermal accommodation coefficients alpha and trapping fractions f sub t for the interaction of gases incident upon solid surfaces. A semiempirical correction factor c which allows the calculation of alpha and f sub t when the collision times are long compared to the surface oscillator period were introduced. The processes of trapping, evaporation, and detailed balancing were discussed. The numerical method was designed to treat economically and with moderate (+ or - 20 percent) accuracy the dependence of alpha and f sub t on finite and different surface and gas temperatures for a large number of gas/surface combinations. Comparison was made with experiments of rare gases on tungsten and on alkalis, as well as one astrophysical case of H2 on graphite. The dependence of alpha on the soft cube dimensionless parameters is presented graphically.

  3. THEORY OF A QUODON GAS WITH APPLICATION TO PRECIPITATION KINETICS IN SOLIDS UNDER IRRADIATION

    SciTech Connect

    Dubinko, Volodymyr; Shapovalov, Roman V.

    2014-06-17

    Rate theory of the radiation-induced precipitation in solids is modified with account of non-equilibrium fluctuations driven by the “gas” of lattice solitons (a.k.a. “quodons”) produced by irradiation. According to quantitative estimations, a steady-state density of the quodon gas under sufficiently intense irradiation can be comparable to the density of classical phonon gas. The modified rate theory is applied to modelling of copper precipitation in FeCu binary alloys under electron irradiation. In contrast to the classical rate theory, which disagrees strongly with experimental data on all precipitation parameters, the modified rate theory describes quite well both the evolution of precipitates and the matrix concentration of copper measured by different methods.

  4. Effect Of Process Gas Mixture On Reactively DC Magnetron Sputtered (Al1_xSix)OyNz Thin Films

    NASA Astrophysics Data System (ADS)

    Bjornard, Erik

    1989-02-01

    (A1 1-x Si x )0yNz films have properties which make them desirable as durable overcoats and corrosion barriers in optical thin film structures. (Al, Si )O N films were reactively DC sputtered from Al, Si targets (x = 0.0, 0.117, 0.30) in Ar/N2/O2 atmospheres. Nitride films had sputter efficiencies three times that of the oxides and ESCA analysis of the films showed that the film composition varied non-linearly with reactive gas ratio and sputter rate, incorporating more oxygen than nitrogen for a given gas flow. This behavior is correlated with the hysteresis curves for the oxide and nitride states. Optical properties of the films were also found to vary with index dropping disproportionately to the 0/(0+N) flow ratio, but linearly with the ratio of atomic percent of 0 and N in the films. Durability properties of (A1 1_x Si x)0 NZ films were tested at several compositions. It was found that with high nitrogen context the wear resistance increased with Si content and the oxides were generally less wear resistant than the nitrides. The corrosion resistance also increased with Si content, but in this case, the oxides were generally more stable. Film stress became more compressive with 0 and Si content. Analysis of ESCA binding energy data indicates that the Si forms alumino-silicate bonds in the film, which apparently contributes to the durability properties.

  5. Investigation of Gas Solid Fluidized Bed Dynamics with Non-Spherical Particles

    SciTech Connect

    Choudhuri, Ahsan

    2013-06-30

    One of the largest challenges for 21st century is to fulfill global energy demand while also reducing detrimental impacts of energy generation and use on the environment. Gasification is a promising technology to meet the requirement of reduced emissions without compromising performance. Coal gasification is not an incinerating process; rather than burning coal completely a partial combustion takes place in the presence of steam and limited amounts of oxygen. In this controlled environment, a chemical reaction takes place to produce a mixture of clean synthetic gas. Gas-solid fluidized bed is one such type of gasification technology. During gasification, the mixing behavior of solid (coal) and gas and their flow patterns can be very complicated to understand. Many attempts have taken place in laboratory scale to understand bed hydrodynamics with spherical particles though in actual applications with coal, the particles are non-spherical. This issue drove the documented attempt presented here to investigate fluidized bed behavior using different ranges of non-spherical particles, as well as spherical. For this investigation, various parameters are controlled that included particle size, bed height, bed diameter and particle shape. Particles ranged from 355 µm to 1180 µm, bed diameter varied from 2 cm to 7 cm, two fluidized beds with diameters of 3.4 cm and 12.4 cm, for the spherical and non-spherical shaped particles that were taken into consideration. Pressure drop was measured with increasing superficial gas velocity. The velocity required in order to start to fluidize the particle is called the minimum fluidization velocity, which is one of the most important parameters to design and optimize within a gas-solid fluidized bed. This minimum fluidization velocity was monitored during investigation while observing variables factors and their effect on this velocity. From our investigation, it has been found that minimum fluidization velocity is independent of bed

  6. Reaction of chlorine radical with tetrahydrofuran: a theoretical investigation on mechanism and reactivity in gas phase.

    PubMed

    Begum, Samiyara; Subramanian, Ranga

    2014-06-01

    Reaction of chlorine (Cl) radical with heterocyclic saturated ether, tetrahydrofuran has been studied. The detailed reactivity and mechanism of this reaction is analyzed using hybrid density functional theory (DFT), B3LYP and BB1K methods, and aug-cc-pVTZ basis set. To explore the mechanism of the reaction of tetrahydrofuran with Cl radical, four possible sites of hydrogen atom (H) abstraction pathways in tetrahydrofuran were analyzed. The barrier height and rate constants are calculated for the four H-abstraction channels. The BB1K calculated rate constant for α-axial H-abstraction is comparable with the experimentally determined rate constant. It reflects that α-axial H-abstraction is the main degradation pathway of tetrahydrofuran with Cl radical. DFT-based reactivity descriptors are also calculated and these values describe α-axial H-abstraction as the main reaction channel. PMID:24867438

  7. Study of solid/gas phase photocatalytic reactions by electron ionization mass spectrometry.

    PubMed

    Nuño, Manuel; Ball, Richard J; Bowen, Chris R

    2014-08-01

    This paper describes a novel methodology for the real-time study of solid-gas phase photocatalytic reactions in situ. A novel reaction chamber has been designed and developed to facilitate the investigation of photoactive materials under different gas compositions. UV irradiation in the wavelength of ranges 376-387 and 381-392 nm was provided using specially designed high efficiency light emitting diode arrays. The experiments used air containing 190 ppm NO2 in a moist environment with a relative humidity of 0.1%. Photocatalytic samples consisting of pressed pellets of rutile and anatase crystalline forms of TiO2 were monitored over a period of 150 min. An ultra-high vacuum right angled bleed valve allowed a controlled flow of gas from the main reaction chamber at atmospheric pressure to a residual gas analyser operating at a vacuum of 10(-5)  mbar. The apparatus and methodology have been demonstrated to provide high sensitivity (ppb). The rate of degradation of NO2 attributed to reaction at the TiO2 surface was sensitive to both crystal structures (anatase or rutile) and wavelength of irradiation. PMID:25044899

  8. Variable temperature infrared spectroscopy: a convenient tool for studying the thermodynamics of weak solid-gas interactions.

    PubMed

    Garrone, Edoardo; Otero Areán, Carlos

    2005-10-01

    This tutorial review describes the use of variable temperature infrared spectroscopy of adsorbed species (VTIR), a recent method for studying the thermodynamics of weak solid-gas interactions. Examples show how a fundamental relationship of thermodynamics (the van't Hoff equation, used long since in several fields of physical chemistry) can describe equilibrium processes at the solid-gas interface. The VTIR method is fully exploited by measuring absorbance of an IR band, temperature and pressure over a wide temperature range: an estimation of the interaction energy is, however, possible even ignoring the equilibrium pressure. Precise thermodynamic characterization of solid-gas interactions is required in several fields: on the applied side, gas sensing, separation and storage, which involve such areas as work-place security, air pollution control and the energy sector; regarding fundamental knowledge, weak solid-gas interactions are relevant to a number of fields, including hydrogen bonding, coordination chemistry and surface phenomena in a broad sense. Infrared (IR) spectroscopy of (gas) molecules adsorbed on a solid is frequently used to characterize both, the adsorbed species and the adsorbing centres at the solid surface. The potential of the technique can be greatly enhanced by obtaining IR spectra over a temperature range, and simultaneously measuring IR absorbance, temperature and equilibrium pressure. When this is done, variable temperature infrared (VTIR) spectroscopy can be used not only for a more detailed surface characterization, but also for precise studies on the thermodynamics of solid-gas interactions. Furthermore, when weak interactions are concerned, the technique shows favourable features compared to adsorption calorimetry, or to other classical methods. The potential of the VTIR method is highlighted by reviewing recently reported studies on dihydrogen, dinitrogen and carbon monoxide adsorption on zeolites. To facilitate understanding, an

  9. Formation Of the Giant Planets By Concurrent Accretion Of Solids And Gas

    NASA Technical Reports Server (NTRS)

    Pollack, James B.; Hubickyj, Olenka; Bodenheimer, Peter; Lissauer, Jack J.; Podolak, Morris; Greenzweig, Yuval; Cuzzi, Jeffery N. (Technical Monitor)

    1995-01-01

    New numerical simulations of the formation of the giant planets are presented, in which for the first time both the gas and planetesimal accretion rates are calculated in a self-consistent, interactive fashion. The simulations combine three elements: 1) three-body accretion cross-sections of solids onto an isolated planetary embryo, 2) a stellar evolution code for the planet's gaseous envelope, and 3) a planetesimal dissolution code within the envelope, used to evaluate the planet's effective capture radius and the energy deposition profile of accreted material. Major assumptions include: The planet is embedded in a disk of gas and small planetesimals with locally uniform initial surface mass density, and planetesimals are not allowed to migrate into or out of the planet's feeding zone. All simulations are characterized by three major phases. During the first phase, the planet's mass consists primarily of solid material. The planetesimal accretion rate, which dominates that of gas, rapidly increases owing to runaway accretion, then decreases as the planet's feeding zone is depleted. During the second phase, both solid and gas accretion rates are small and nearly independent of time. The third phase, marked by runaway gas accretion, starts when the solid and gas masses are about equal. It is engendered by a strong positive feedback on the gas accretion rates, driven by the rapid contraction of the gaseous envelope and the rapid expansion of the outer boundary, which depends on the planet's total mass. The overall evolutionary time scale is generally determined by the length of the second phase. The actual rates at which the giant planets accreted small planetesimals is probably intermediate between the constant rates assumed in most previous studies and the highly variable rates that we have used. Within the context, of the adopted model of planetesimal accretion, the joint constraints of the time scale for dissipation of the solar nebula and the current high

  10. High pressure operation of tubular solid oxide fuel cells and their intergration with gas turbines

    SciTech Connect

    Haynes, C.; Wepfer, W.J.

    1996-12-31

    Fossil fuels continue to be used at a rate greater than that of their natural formation, and the current byproducts from their use are believed to have a detrimental effect on the environment (e.g. global warming). There is thus a significant impetus to have cleaner, more efficient fuel consumption alternatives. Recent progress has led to renewed vigor in the development of fuel cell technology, which has been shown to be capable of producing high efficiencies with relatively benign exhaust products. The tubular solid oxide fuel cell developed by Westinghouse Electric Corporation has shown significant promise. Modeling efforts have been and are underway to optimize and better understand this fuel cell technology. Thus far, the bulk of modeling efforts has been for operation at atmospheric pressure. There is now interest in developing high-efficiency integrated gas turbine/solid oxide fuel cell systems. Such operation of fuel cells would obviously occur at higher pressures. The fuel cells have been successfully modeled under high pressure operation and further investigated as integrated components of an open loop gas turbine cycle.

  11. Effect of solids concentration distribution on the flue gas desulfurization process

    SciTech Connect

    Jie Zhang; Changfu You; Haiying Qi; Changhe Chen; Xuchang Xu

    2006-06-15

    A dry flue gas desulfurization (FGD) process at 600-800{sup o}C was studied in a pilot-scale circulating fluidized bed (CFB) experimental facility. Various fresh sorbent distribution types and internal structures were modeled numerically to investigate their effect on the gas-solid flow and sulfate reaction characteristics. Experimental results show that, after the fresh sorbent supply was stopped, the desulfurization efficiency declined rapidly even though the sorbent recirculation was maintained. Therefore, the fresh sorbent is the main contributor to the desulfurization process and the primary effect of the recirculated sorbent was to evenly distribute the fresh sorbent and to prolong the sorbent particle residence time. The numerical results demonstrate that the desulfurization efficiency varied greatly for the various fresh sorbent bottom injection methods. The desulfurization efficiency of the bottom-even injection method was 1.5 times that of the bottom two-sided injection method. Internal structures effectively improved the fresh sorbent solids concentration distribution and the desulfurization efficiency. Optimized internal structures increased the desulfurization efficiency of the bottom two-sided injection method by 46%, so that it was very close to that of the bottom-even injection method with only a 4.6% difference. 16 refs., 6 figs., 2 tabs.

  12. Unified phonon-based approach to the thermodynamics of solid, liquid and gas states

    NASA Astrophysics Data System (ADS)

    Bolmatov, Dima; Zav'yalov, Dmitry; Zhernenkov, Mikhail; Musaev, Edvard T.; Cai, Yong Q.

    2015-12-01

    We introduce a unified approach to states of matter (solid, liquid and gas) and describe the thermodynamics of the pressure-temperature phase diagram in terms of phonon excitations. We derive the effective Hamiltonian with low-energy cutoff in two transverse phonon polarizations (phononic band gaps) by breaking the symmetry in phonon interactions. Further, we construct the statistical mechanics of states of aggregation employing the Debye approximation. The introduced formalism covers the Debye theory of solids, the phonon theory of liquids, and thermodynamic limits such as the Dulong-Petit thermodynamic limit (cV = 3kB), the ideal gas limit (cV =3/2 kB) and the new thermodynamic limit (cV = 2kB), dubbed here the Frenkel line thermodynamic limit. We discuss the phonon propagation and localization effects in liquids above and below the Frenkel line, and explain the "fast sound" phenomenon. As a test for our theory we calculate velocity-velocity autocorrelation and pair distribution functions within the Green-Kubo formalism. We show the consistency between dynamics of phonons and pair correlations in the framework of the unified approach. New directions towards advancements in phononic band gaps engineering, hypersound manipulation technologies and exploration of exotic behaviour of fluids relevant to geo- and planetary sciences are discussed. The presented results are equally important both for practical implications and for fundamental research.

  13. Effect of solids concentration distribution on the flue gas desulfurization process.

    PubMed

    Zhang, Jie; You, Changfu; Qi, Haiying; Chen, Changhe; Xu, Xuchang

    2006-06-15

    A dry flue gas desulfurization (FGD) process at 600-800 degrees C was studied in a pilot-scale circulating fluidized bed (CFB) experimental facility. Various fresh sorbent distribution types and internal structures were modeled numerically to investigate their effect on the gas-solid flow and sulfate reaction characteristics. Experimental results show that, after the fresh sorbent supply was stopped, the desulfurization efficiency declined rapidly even though the sorbent recirculation was maintained. Therefore, the fresh sorbent is the main contributor to the desulfurization process and the primary effect of the recirculated sorbent was to evenly distribute the fresh sorbent and to prolong the sorbent particle residence time. The numerical results demonstrate thatthe desulfurization efficiency varied greatly for the various fresh sorbent bottom injection methods. The desulfurization efficiency of the bottom-even injection method was 1.5 times that of the bottom two-sided injection method. Internal structures effectively improved the fresh sorbent solids concentration distribution and the desulfurization efficiency. Optimized internal structures increased the desulfurization efficiency of the bottom two-sided injection method by 46%, so that it was very close to that of the bottom-even injection method with only a 4.6% difference. PMID:16830575

  14. The Conformation of Pentanoates in the Solid and in the Gas Phase

    NASA Astrophysics Data System (ADS)

    Merkens, Carina; Stadtmüller, Tom; Englert, Ulli; Mouhib, Halima; Stahl, Wolfgang

    2014-07-01

    Suitable derivatives of the four isomeric pentanoates have been structurally characterized in the solid and the gas phase. For the latter, the volatile ethyl esters of valeric, isovaleric, methylbutyric, and pivalic acid were investigated by a combination of molecular beam Fourier transform microwave (MB-FTMW) spectroscopy and theoretical calculations. Crystalline salts rather than esters were formed by reaction between the carboxylic acids and trans-1,2-diaminocyclohexane. For both gaseous and crystalline methylbutyrates, an essentially perpendicular arrangement of carboxylate and methyl group was observed; earlier structure determinations documented in the data base agree with this result. Two competing conformers of favourable energy were relevant for the corresponding isovalerates: They were associated with torsion angles around 20° and 50° between the carboxylate and the alkyl chain. Good agreements in conformation have also been achieved for our experimentally observed unbranched valerate derivatives and fully branched pivalates in solid and gas phase. Despite the apparent simplicity of the pentanoates, the identification of their lowest energy conformers represents a challenge for different methods and levels of theory.

  15. A New Paradigm of Computer Graphics by Universal Solver for Solid, Liquid and Gas

    NASA Astrophysics Data System (ADS)

    Yabe, Takashi; Takizawa, Kenji; Xiao, Feng; Aoki, Takayuki; Himeno, Takehiro; Takahashi, Tsunemi; Kunimatsu, Atsushi

    We propose a new algorithm for producing computer graphics of melting and evaporation process of matter. Such a computation becomes possible by a universal solver for solid, liquid and gas based on the CIP (Cubic-Interpolated Propagation / Constrained Interpolation Profile) method proposed by one of the authors. This method can also be applied to the movement, deformation and even break up of solid, liquid and gas in one simple algorithm. Therefore seamless computation of all the phases of matter becomes possible. This enables us to reproduce natural phenomena in some instances by computation. In order to demonstrate this reality, we show how precisely the computational result replicates the movies of real phenomena. The flattering motions of metal disk in water and thin name card in air are treated showing accuracy of force calculation on the surface of sub-grid scale. Although the CIP uses semi-Lagrangian form algorithm, the exact mass conservation is guaranteed by additional tool. By using this scheme, separation of a bubble in bifurcation tube and splashing of water surface are successfully simulated.

  16. Open-source MFIX-DEM software for gas-solids flows: Part II Validation studies

    SciTech Connect

    Li, Tingwen; Garg, Rahul; Galvin, Janine; Pannala, Sreekanth

    2012-01-01

    With rapid advancements in computer hardware and numerical algorithms, computational fluid dynamics (CFD) has been increasingly employed as a useful tool for investigating the complex hydrodynamics inherent in multiphase flows. An important step during the development of a CFD model and prior to its application is conducting careful and comprehensive verification and validation studies. Accordingly, efforts to verify and validate the open-source MFIX-DEM software, which can be used for simulating the gas solids flow using an Eulerian reference frame for the continuum fluid and a Lagrangian discrete framework (Discrete Element Method) for the particles, have been made at the National Energy Technology Laboratory (NETL). In part I of this paper, extensive verification studies were presented and in this part, detailed validation studies of MFIX-DEM are presented. A series of test cases covering a range of gas solids flow applications were conducted. In particular the numerical results for the random packing of a binary particle mixture, the repose angle of a sandpile formed during a side charge process, velocity, granular temperature, and voidage profiles from a bounded granular shear flow, lateral voidage and velocity profiles from a monodisperse bubbling fluidized bed, lateral velocity profiles from a spouted bed, and the dynamics of segregation of a binary mixture in a bubbling bed were compared with available experimental data, and in some instances with empirical correlations. In addition, sensitivity studies were conducted for various parameters to quantify the error in the numerical simulation.

  17. Quantitative prediction of clustering instabilities in gas-solid homogeneous cooling systems

    NASA Astrophysics Data System (ADS)

    Hrenya, Christine; Mitrano, Peter; Li, Xiaoqi; Yin, Xiaolong

    2014-11-01

    Dynamic particle clusters are widely documented in gas-solid flow systems, including gasification units for coal or biomass, gravity-driven flow over an array of tubes, pneumatic transport lines, etc. Continuum descriptions based on kinetic theory have been known for over a decade to qualitatively predict the presence of such clustering instabilities. The quantitative ability of such continuum descriptions is relatively unexplored, however, and remains unclear given the low-Knudsen assumption upon which the descriptions are based. In particular, the concentration gradient is relatively large across the boundary between the cluster and the surrounding dilute region, which is counter to the small-gradient assumption inherent in the low-Knudsen-number expansion. In this work, we use direct numerical simulations (DNS) of a gas-solid homogeneous cooling system to determine the critical system size needed for the clustering instability to develop. We then compare the results to the same quantity predicted by a continuum description based on kinetic theory. The agreement is quite good over a wide range of parameters. This finding is reminiscent of molecular fluids, namely the ability of the Navier-Stokes equations to predict well outside the expected range of Knudsen numbers.

  18. Solids precipitation in crude oils, gas-to-liquids and their blends

    NASA Astrophysics Data System (ADS)

    Ramanathan, Karthik

    Gas-to-liquids (GTL) liquids are obtained from syngas by the Fischer-Tropsch synthesis. The blending of GTL liquids produced from natural gas/coal reserves and crude oils is a possibility in the near future for multiple reasons. Solids precipitation is a major problem in pipelines and refineries leading to significant additional operating costs. The effect of the addition of a paraffinic GTL liquid to crude oils on solids precipitation was investigated in this study. A Fourier transform infrared (FT-IR) spectroscopic technique was used to obtain solid-liquid equilibria (SLE) data for the various samples. The SLE of multiple systems of model oils composed of n-alkanes was investigated preliminarily. Blends of a model oil simulating a GTL liquid composition and a crude oil showed that the wax precipitation temperature (WPT) decreased upon blending. Three crude oils from different geographic regions (Alaskan North Slope, Colorado and Venezuela) and a laboratory-produced GTL liquid were used in the preparation of blends with five different concentrations of the GTL liquid. The wax precipitation temperatures of the blends were found to decrease with the increasing addition of the GTL liquid for all the oils. This effect was attributed to the solvent effect of the low molecular weight-paraffinic GTL liquid on the crude oils. The weight percent solid precipitated that was estimated as a function of temperature did not show a uniform trend for the set of crude oils. The asphaltene onset studies done on the blends with near-infrared spectroscopy indicated that the addition of GTL liquid could have a stabilizing effect on the asphaltenes in some oils. Analytical techniques such as distillation, solvent separation, HPLC, GC, and GPC were used to obtain detailed composition data on the samples. Two sets of compositional data with 49 and 86 pseudo-components were used to describe the three crude oils used in the blending work. The wax precipitation was calculated using a

  19. Microphase formation at a 2D solid-gas phase transition.

    PubMed

    Schuman, Adam W; Bsaibes, Thomas S; Schlossman, Mark L

    2014-10-01

    Density modulated micro-separated phases (microphases) occur at 2D liquid interfaces in the form of alternating regions of high and low density domains. Brewster angle microscopy (BAM) images demonstrate the existence of microphases in cluster, stripe, and mosaic morphologies at the buried interface between hexane and water with fluoro-alkanol surfactant dissolved in the bulk hexane. At high temperature, the surfactant assembles at the interface in a 2D gaseous state. As the system is cooled additional surfactants condense onto the interface, which undergoes a 2D gas-solid phase transition. Microphase structure is observed within a few degrees of this transition in the form of clusters and labyrinthine stripes. Microphases have been observed previously in a number of other systems; nevertheless, we demonstrate that adsorption transitions at the liquid-liquid interface provide a convenient way to observe a full sequence of temperature-dependent 2D phases, from gas to cluster to stripe to mosaic to inverted stripe phases, as well as coexistence between some of these microphases. Cracking and fracture of the clusters reveal that they are a solid microphase. Theories of microphases often predict a single length scale for cluster and stripe phases as a result of the competition between an attractive and a repulsive interaction. Our observation that two characteristic length scales are required to describe clusters whose diameter is much larger than the stripe period, combined with the solid nature of the clusters, suggests that a long-range elastic interaction is relevant. These results complement earlier X-ray measurements on the same system. PMID:25088351

  20. Thermal-Flow Code for Modeling Gas Dynamics and Heat Transfer in Space Shuttle Solid Rocket Motor Joints

    NASA Technical Reports Server (NTRS)

    Wang, Qunzhen; Mathias, Edward C.; Heman, Joe R.; Smith, Cory W.

    2000-01-01

    A new, thermal-flow simulation code, called SFLOW. has been developed to model the gas dynamics, heat transfer, as well as O-ring and flow path erosion inside the space shuttle solid rocket motor joints by combining SINDA/Glo, a commercial thermal analyzer. and SHARPO, a general-purpose CFD code developed at Thiokol Propulsion. SHARP was modified so that friction, heat transfer, mass addition, as well as minor losses in one-dimensional flow can be taken into account. The pressure, temperature and velocity of the combustion gas in the leak paths are calculated in SHARP by solving the time-dependent Navier-Stokes equations while the heat conduction in the solid is modeled by SINDA/G. The two codes are coupled by the heat flux at the solid-gas interface. A few test cases are presented and the results from SFLOW agree very well with the exact solutions or experimental data. These cases include Fanno flow where friction is important, Rayleigh flow where heat transfer between gas and solid is important, flow with mass addition due to the erosion of the solid wall, a transient volume venting process, as well as some transient one-dimensional flows with analytical solutions. In addition, SFLOW is applied to model the RSRM nozzle joint 4 subscale hot-flow tests and the predicted pressures, temperatures (both gas and solid), and O-ring erosions agree well with the experimental data. It was also found that the heat transfer between gas and solid has a major effect on the pressures and temperatures of the fill bottles in the RSRM nozzle joint 4 configuration No. 8 test.

  1. Numeric Design and Performance Analysis of Solid Oxide Fuel Cell -- Gas Turbine Hybrids on Aircraft

    NASA Astrophysics Data System (ADS)

    Hovakimyan, Gevorg

    The aircraft industry benefits greatly from small improvements in aircraft component design. One possible area of improvement is in the Auxiliary Power Unit (APU). Modern aircraft APUs are gas turbines located in the tail section of the aircraft that generate additional power when needed. Unfortunately the efficiency of modern aircraft APUs is low. Solid Oxide Fuel Cell/Gas Turbine (SOFC/GT) hybrids are one possible alternative for replacing modern gas turbine APUs. This thesis investigates the feasibility of replacing conventional gas turbine APUs with SOFC/GT APUs on aircraft. An SOFC/GT design algorithm was created in order to determine the specifications of an SOFC/GT APU. The design algorithm is comprised of several integrated modules which together model the characteristics of each component of the SOFC/GT system. Given certain overall inputs, through numerical analysis, the algorithm produces an SOFC/GT APU, optimized for specific power and efficiency, capable of performing to the required specifications. The SOFC/GT design is then input into a previously developed quasi-dynamic SOFC/GT model to determine its load following capabilities over an aircraft flight cycle. Finally an aircraft range study is conducted to determine the feasibility of the SOFC/GT APU as a replacement for the conventional gas turbine APU. The design results show that SOFC/GT APUs have lower specific power than GT systems, but have much higher efficiencies. Moreover, the dynamic simulation results show that SOFC/GT APUs are capable of following modern flight loads. Finally, the range study determined that SOFC/GT APUs are more attractive over conventional APUs for longer range aircraft.

  2. The effects of gas-fluid-rock interactions on CO2 injection and storage: Insights from reactive transport modeling

    SciTech Connect

    Xiao, Y.; Xu, T.; Pruess, K.

    2008-10-15

    Possible means of reducing atmospheric CO{sub 2} emissions include injecting CO{sub 2} in petroleum reservoirs for Enhanced Oil Recovery or storing CO{sub 2} in deep saline aquifers. Large-scale injection of CO{sub 2} into subsurface reservoirs would induce a complex interplay of multiphase flow, capillary trapping, dissolution, diffusion, convection, and chemical reactions that may have significant impacts on both short-term injection performance and long-term fate of CO{sub 2} storage. Reactive Transport Modeling is a promising approach that can be used to predict the spatial and temporal evolution of injected CO{sub 2} and associated gas-fluid-rock interactions. This presentation will summarize recent advances in reactive transport modeling of CO{sub 2} storage and review key technical issues on (1) the short- and long-term behavior of injected CO{sub 2} in geological formations; (2) the role of reservoir mineral heterogeneity on injection performance and storage security; (3) the effect of gas mixtures (e.g., H{sub 2}S and SO{sub 2}) on CO{sub 2} storage; and (4) the physical and chemical processes during potential leakage of CO{sub 2} from the primary storage reservoir. Simulation results suggest that CO{sub 2} trapping capacity, rate, and impact on reservoir rocks depend on primary mineral composition and injecting gas mixtures. For example, models predict that the injection of CO{sub 2} alone or co-injection with H{sub 2}S in both sandstone and carbonate reservoirs lead to acidified zones and mineral dissolution adjacent to the injection well, and carbonate precipitation and mineral trapping away from the well. Co-injection of CO{sub 2} with H{sub 2}S and in particular with SO{sub 2} causes greater formation alteration and complex sulfur mineral (alunite, anhydrite, and pyrite) trapping, sometimes at a much faster rate than previously thought. The results from Reactive Transport Modeling provide valuable insights for analyzing and assessing the dynamic

  3. Multilayer Resist Profile Control in Oxygen Reactive Ion Etching Using Ethanol Gas Mixture

    NASA Astrophysics Data System (ADS)

    Kimura, Yasuki; Aoyama, Ryouichi; Suzuki, Seki

    1994-07-01

    By adding ethanol gas to oxygen-based chemistry, the controllability of resist profile and the overetch characteristic, under the condition with nearly no areas of material to be etched (etchable area), are improved. A model for resist profile control in which the resist profile is determined by the ratio of the sum of the isotropic etching component and the isotropic deposition component to the anisotropic etching component, is examined by evaluating the dependence of the resist profile and the etching rate on gas composition, the product of ion energy and ion current density (ion impact), and line and space (L & S) width. Both the gas composition and L & S width affect the sum of isotropic components. Ion impact affects the anisotropic etching component. When the isotropic components are balanced, resist profile is independent of ion impact and L & S width.

  4. Effects of Ti addiction in WO 3 thin film ammonia gas sensor prepared by dc reactive magnetron sputtering

    NASA Astrophysics Data System (ADS)

    Hu, Ming; Yong, Cholyun; Feng, Youcai; Lv, Yuqiang; Han, Lei; Liang, Jiran; Wang, Haopeng

    2006-11-01

    WO 3 sensing films (1500 Å) were deposited using dc reactive magnetron sputtering method on alumina substrate on which patterned interdigital Pt electrodes were previously formed. The additive Ti was sputtered with different thickness (100-500 Å) onto WO 3 thin films and then the films as-deposited were annealed at 400°C in air for 3h. The crystal structure and chemical composition of the films were characterized by XRD and XPS analysis. The effect of Ti addition on sensitive properties of WO 3 thin film to the NH 3 gas was then discussed. WO 3 thin films added Ti revealed excellent sensitivity and response characteristics in the presence of low concentration of NH 3 (5-400 ppm) gas in air at 200°C operating temperature. Especially,in case 300 Å thickness of additive Ti, WO 3 thin films have a promotional effect on the response speed to NH 3 and selectivity enhanced with respect to other gases (CO, C IIH 5OH, CH 4). The influence of different substrates, including alumina, silicon and glass, on sensitivity to NH 3 gas has also been investigated.

  5. Early stage oxynitridation process of Si(001) surface by NO gas: Reactive molecular dynamics simulation study

    NASA Astrophysics Data System (ADS)

    Cao, Haining; Srivastava, Pooja; Choi, Keunsu; Kim, Seungchul; Lee, Kwang-Ryeol

    2016-03-01

    Initial stage of oxynitridation process of Si substrate is of crucial importance in fabricating the ultrathin gate dielectric layer of high quality in advanced MOSFET devices. The oxynitridation reaction on a relaxed Si(001) surface is investigated via reactive molecular dynamics (MD) simulation. A total of 1120 events of a single nitric oxide (NO) molecule reaction at temperatures ranging from 300 to 1000 K are statistically analyzed. The observed reaction kinetics are consistent with the previous experimental or calculation results, which show the viability of the reactive MD technique to study the NO dissociation reaction on Si. We suggest the reaction pathway for NO dissociation that is characterized by the inter-dimer bridge of a NO molecule as the intermediate state prior to NO dissociation. Although the energy of the inter-dimer bridge is higher than that of the intra-dimer one, our suggestion is supported by the ab initio nudged elastic band calculations showing that the energy barrier for the inter-dimer bridge formation is much lower. The growth mechanism of an ultrathin Si oxynitride layer is also investigated via consecutive NO reactions simulation. The simulation reveals the mechanism of self-limiting reaction at low temperature and the time evolution of the depth profile of N and O atoms depending on the process temperature, which would guide to optimize the oxynitridation process condition.

  6. Combined solid oxide fuel cell and gas turbine systems for efficient power and heat generation

    NASA Astrophysics Data System (ADS)

    Palsson, Jens; Selimovic, Azra; Sjunnesson, Lars

    The Department of Heat and Power Engineering at Lund University in Sweden has been conducting theoretical studies of combined SOFC and gas turbine (SOFC/GT) cycles. The overall goal is an unbiased evaluation of performance prospects and operational behaviour of such systems. The project is part of a Swedish national program on high-temperature fuel cells. Results of continuous studies started earlier by authors are presented. Recent developments in modelling techniques has resulted in a more accurate fuel cell model giving an advantage over previous system studies based on simplified SOFC models. The fuel cell model has been improved by detailed representation of resistive cell losses, reaction kinetics for the reforming reaction and heat conduction through the solid part of the cell. This SOFC model has further been confirmed against the literature and integrated into simulation software, Aspen Plus™. Recent calculations have focused on a system with external pre-reforming and anode gas recirculation for the internal supply of steam. A reference system, sized at 500 kW, has also been analyzed in variants with gas turbine reheat and air compression intercooling. In addition, knowledge of stack and system behaviour has been gained from sensitivity studies. It is shown that the pressure ratio has a large impact on performance and that electrical efficiencies of more than 65% are possible at low pressure ratios.

  7. Feed gas contaminant removal in ion transport membrane systems

    DOEpatents

    Carolan, Michael Francis; Miller, Christopher Francis

    2008-09-16

    Method for gas purification comprising (a) obtaining a feed gas stream containing one or more contaminants selected from the group consisting of volatile metal oxy-hydroxides, volatile metal oxides, and volatile silicon hydroxide; (b) contacting the feed gas stream with a reactive solid material in a guard bed and reacting at least a portion of the contaminants with the reactive solid material to form a solid reaction product in the guard bed; and (c) withdrawing from the guard bed a purified gas stream.

  8. Reversible Poisoning of the Nickel/Zirconia Solid Oxide Fuel Cell Anodes by Hydrogen Chloride in Coal Gas

    SciTech Connect

    Marina, Olga A.; Pederson, Larry R.; Thomsen, Edwin C.; Coyle, Christopher A.; Yoon, Kyung J.

    2010-10-15

    The performance of anode-supported solid oxide fuel cells (SOFC) was evaluated in synthetic coal gas containing HCl in the temperature range 650 to 850oC. Exposure to up to 800 ppm HCl resulted in reversible poisoning of the Ni/zirconia anode by chlorine species adsorption, the magnitude of which decreased with increased temperature. Performance losses increased with the concentration of HCl to ~100 ppm, above which losses were insensitive to HCl concentration. Cell voltage had no effect on poisoning. No evidence was found for long-term degradation that can be attributed to HCl exposure. Similarly, no evidence of microstructural changes or formation of new solid phases as a result of HCl exposure was found. From thermodynamic calculations, solid nickel chloride phase formation was shown to be highly unlikely in coal gas. Further, the presence of HCl at even the highest anticipated concentrations in coal gas would minimally increase the volatility of nickel.

  9. Corrosion Resistance of High Hardness TiN Coatings Prepared by Gas Tunnel Type Plasma Reactive Spraying

    NASA Astrophysics Data System (ADS)

    Kobayashi, Akira; Jiang, Wei

    2006-10-01

    Thick titanium nitride coatings, which have high hardness, were obtained by gas tunnel type plasma reactive spraying. In this study, the corrosion behavior of the thick TiN coatings was investigated using the electrochemical polarization measurement in 1 M hydrochloric (HCl) solution at room temperature of 295 K. The polarization curve of stainless steel (SUS304) was also measured in order to clarify the effect of corrosion resistance of TiN coatings on the substrates as protective layer. The results showed that the TiN coating could protect the substrate surface from corrosion. It also revealed that the corrosion resistance of TiN coatings was improved as the thickness of TiN coatings was increased.

  10. Investigation on Dynamic Calibration for an Optical-Fiber Solids Concentration Probe in Gas-Solid Two-Phase Flows

    PubMed Central

    Xu, Guiling; Liang, Cai; Chen, Xiaoping; Liu, Daoyin; Xu, Pan; Shen, Liu; Zhao, Changsui

    2013-01-01

    This paper presents a review and analysis of the research that has been carried out on dynamic calibration for optical-fiber solids concentration probes. An introduction to the optical-fiber solids concentration probe was given. Different calibration methods of optical-fiber solids concentration probes reported in the literature were reviewed. In addition, a reflection-type optical-fiber solids concentration probe was uniquely calibrated at nearly full range of the solids concentration from 0 to packed bed concentration. The effects of particle properties (particle size, sphericity and color) on the calibration results were comprehensively investigated. The results show that the output voltage has a tendency to increase with the decreasing particle size, and the effect of particle color on calibration result is more predominant than that of sphericity. PMID:23867745

  11. Gas-Phase Reactions of Doubly Charged Lanthanide Cations with Alkanes and Alkenes. Trends in Metal(2+) Reactivity

    SciTech Connect

    Gibson, John K.; Marcalo, Joaquim; Santos, Marta; Pires de Matos, Antonio; Haire, Richard G.

    2008-12-08

    The gas-phase reactivity of doubly-charged lanthanide cations, Ln2+ (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu), with alkanes (methane, ethane, propane, n-butane) and alkenes (ethene, propene, 1-butene) was studied by Fourier transform ion cyclotron resonance mass spectrometry. The reaction products consisted of different combinations of doubly-charged organometallic ions?adducts or species formed via metal-ion-induced hydrogen, dihydrogen, alkyl, or alkane eliminations from the hydrocarbons?and singly-charged ions that resulted from electron, hydride, or methide transfers from the hydrocarbons to the metal ions. The only lanthanide cations capable of activating the hydrocarbons to form doubly-charged organometallic ions were La2+, Ce2+, Gd2+, and Tb2+, which have ground-state or low-lying d1 electronic configurations. Lu2+, with an accessible d1 electronic configuration but a rather high electron affinity, reacted only through transfer channels. The remaining Ln2+ reacted via transfer channels or adduct formation. The different accessibilities of d1 electronic configurations and the range of electron affinities of the Ln2+ cations allowed for a detailed analysis of the trends for metal(2+) reactivity and the conditions for occurrence of bond activation, adduct formation, and electron, hydride, and methide transfers.

  12. Reduce the matrix effect in biological tissue imaging using dynamic reactive ionization and gas cluster ion beams.

    PubMed

    Tian, Hua; Wucher, Andreas; Winograd, Nicholas

    2016-06-01

    In the context of a secondary ion mass spectrometry (SIMS) experiment, dynamic reactive ionization (DRI) involves introducing a reactive dopant, HCl, into an Ar gas cluster primary ion beam along with a source of water to enable dissociation of HCl to free protons. This concerted effect, precisely occurring at the impact site of the cluster beam, enhances the protonation of molecular species. Here, the authors apply this methodology to study the hippocampus and cerebellum region of a frozen-hydrated mouse brain section. To determine the degree of enhancement associated with DRI conditions, sequential tissue slices were arranged in a mirrored configuration so that comparable regions of the tissue could be explored. The results show that the protonated lipid species are increased by ∼10-fold, but that the normally prevalent salt adducts are virtually unaffected. This observation is discussed as a novel approach to minimizing SIMS matrix effects in complex materials. Moreover, the chemical images of protonated lipid ions exhibit clearer features in the cerebellum region as compared to images acquired with the pure Ar cluster beam. PMID:26856333

  13. Simultaneous removal of SO{sub 2} and NO from flue gas using 'oxygen-enriched' highly reactive absorbent

    SciTech Connect

    Zhao, Y.; Sun, X.J.; Fang, H.; Liu, F.

    2007-04-15

    Fly ash, industry-grade lime, and an additive, MnO{sub 2} (M), were used to prepare an 'oxygen-enriched' highly reactive absorbent. Experiments of simultaneous desulfurization and denitrification were carried in a flue gas circulating fluidized bed (CFB). The effects of influencing factors were also investigated on the removal efficiencies of desulfurization and denitrification. Removal efficiencies of 95.5% for SO{sub 2} and 64.8% for NO were obtained respectively under the optimal experimental conditions. The component of the spent absorbent was analyzed with chemical analysis methods. The results indicated that more nitrogen species appeared in the spent absorbent except sulfur species. A scanning electron microscope (SEM) and an accessory X-ray energy spectrometer (EDS) were used to observe microproperties of the samples, including fly ash, oxidizing highly reactive absorbent, and spent absorbent. The simultaneous removal mechanism of SO{sub 2} and NO based on this absorbent was proposed according to the experimental results.

  14. A conservative multi-group approach to the Boltzmann equations for reactive gas mixtures

    NASA Astrophysics Data System (ADS)

    Bisi, M.; Rossani, A.; Spiga, G.

    2015-11-01

    Starting from a simple kinetic model for a quaternary mixture of gases undergoing a bimolecular chemical reaction, multi-group integro-differential equations are derived for the particle distribution functions of all species. The procedure takes advantage of a suitable probabilistic formulation, based on the underlying collision frequencies and transition probabilities, of the relevant reactive kinetic equations of Boltzmann type. Owing to an appropriate choice of a sufficiently large number of weight functions, it is shown that the proposed multi-group equations are able to fulfil exactly, at any order of approximation, the correct conservation laws that must be inherited from the original kinetic equations, where speed was a continuous variable. Future developments are also discussed.

  15. Interfacial strain effect on gas transport in nanostructured electrodes of solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Wen, Kechun; Han, Yupei; Zou, Minda; Lv, Weiqiang; He, Weidong

    2015-09-01

    Most efforts regarding strain effect at the interfaces between electrolytes and electrodes are mainly focused on enhancing the ionic conductivity in electrolytes. However, fundamental insights into the strain effect on gas transport properties in electrodes of fuel cells are still lacking. In this report, quantitative analysis is performed to evaluate the correlation between interfacial strain and the important fuel cells parameters, including limiting current density and concentration polarization. We demonstrate that the strain effect plays an important role in the performance of solid oxide fuel cells with nanostructured electrodes. Our studies provide a powerful platform for reducing concentration polarization by engineering quantitatively the interfacial strain, and facilitating the development of high-efficiency nanostructured fuel cells.

  16. Non-invasive medical diagnostics by nanoparticle-based solid-state gas sensors

    NASA Astrophysics Data System (ADS)

    Tricoli, Antonio

    2013-08-01

    Chemical sensors made of tailored nanoparticles offer excellent miniaturization capability and are able to rapidly and continuously detect trace amounts of important analytes down to trace concentrations. Application of these sensing materials to non-invasive medical diagnostics by breath analysis has the potential to drastically reduce diagnostics costs while offering better service quality to the patients and enabling very early-stage detection of severe illnesses such as lung cancer. Here, we present a flexible approach to synthesize advanced solid-state gas sensor materials that have demonstrated reliable detection of important breath markers. In particular, the feasibility of capturing highly performing, meta-stable sensing nanoparticles by flame-synthesis of multi component metal-oxides is critically discussed.

  17. Harsh-Environment Solid-State Gamma Detector for Down-hole Gas and Oil Exploration

    SciTech Connect

    Peter Sandvik; Stanislav Soloviev; Emad Andarawis; Ho-Young Cha; Jim Rose; Kevin Durocher; Robert Lyons; Bob Pieciuk; Jim Williams; David O'Connor

    2007-08-10

    The goal of this program was to develop a revolutionary solid-state gamma-ray detector suitable for use in down-hole gas and oil exploration. This advanced detector would employ wide-bandgap semiconductor technology to extend the gamma sensor's temperature capability up to 200 C as well as extended reliability, which significantly exceeds current designs based on photomultiplier tubes. In Phase II, project tasks were focused on optimization of the final APD design, growing and characterizing the full scintillator crystals of the selected composition, arranging the APD device packaging, developing the needed optical coupling between scintillator and APD, and characterizing the combined elements as a full detector system preparing for commercialization. What follows is a summary report from the second 18-month phase of this program.

  18. Role of distortion in the hcp vs fcc competition in rare-gas solids

    NASA Astrophysics Data System (ADS)

    Krainyukova, N. V.

    2011-05-01

    As a prototype of an initial or intermediate structure between hcp and fcc lattices we consider a distorted bcc crystal. We calculate the temperature and pressure dependences of the lattice parameters for the heavier rare gas solids Ar, Kr, Xe in a quasiharmonic approximation with Aziz potentials, and confirm earlier predictions that the hcp structure predominates over fcc in the bulk within wide ranges of P and T. The situation is different for confined clusters with up to 105 atoms, where, owing to the specific surface energetics and terminations, structures with five-fold symmetry made up of fcc fragments are dominant. As a next step we consider the free relaxation of differently distorted bcc clusters, and show that two types (monoclinic and orthorhombic) of initial distortion are a driving force for the final hcp vs fcc configurations. Possible energy relationships between the initial and final structures are obtained and analyzed.

  19. Open source development experience with a computational gas-solids flow code

    SciTech Connect

    Syamlal, M; O'Brien, T. J.; Benyahia, Sofiane; Gel, Aytekin; Pannala, Sreekanth

    2008-01-01

    A case study on the use of open source (OS) software development in chemical engineering research and education is presented here. The multiphase computational fluid dynamics software MFIX is the object of the case study. The verification and validation steps required for constructing modern computational software and the advantages of OS development in those steps are discussed. The infrastructure used for enabling the OS development of MFIX is described. The impact of OS development on computational research and education in gas-solids flow and the dissemination of information to other areas such as geotechnical and volcanology research are demonstrated. It is shown that the advantages of OS development methodology were realized: verification by many users, which enhances software quality; the use of software as a means for accumulating and exchanging information; and the facilitation of peer review of the results of computational research.

  20. Abnormal heat liberation triggered by current in a D/Pd gas-solid system

    NASA Astrophysics Data System (ADS)

    Lu, Xin; Tian, Jian

    2015-08-01

    A relationship was studied among D/Pd gas-solid system current, pressure and producing excess heating in this paper. The results indicated that when the pressure of deuterium is at 9 × 104 Pa, electric current is 8 A and lasting heat is 40 days, the superheating energy is 280 MJ, the maximum superheating power is 80 W and averaging to each palladium atom energy for the superheating energy is 1.7 × 104 eV. Analysis of the sample by SEM (scanning electron microscopy) and EDS (energy dispersive spectrometry) found that after the current triggering the surface of sample was changed and new elements such as Pb, Sn, Ca, and Ag appeared. The results suggested that the superheating appeared come from a nuclear transmutation.

  1. Emergence of a Metallic Quantum Solid Phase in a Rydberg-Dressed Fermi Gas

    NASA Astrophysics Data System (ADS)

    Li, Wei-Han; Hsieh, Tzu-Chi; Mou, Chung-Yu; Wang, Daw-Wei

    2016-07-01

    We examine possible low-temperature phases of a repulsively Rydberg-dressed Fermi gas in a three-dimensional free space. It is shown that the collective density excitations develop a roton minimum, which is softened at a wave vector smaller than the Fermi wave vector when the particle density is above a critical value. The mean field calculation shows that, unlike the insulating density wave states often observed in conventional condensed matters, a self-assembled metallic density wave state emerges at low temperatures. In particular, the density wave state supports a Fermi surface and a body-centered-cubic crystal order at the same time with the estimated critical temperature being about one tenth of the noninteracting Fermi energy. Our results suggest the emergence of a fermionic quantum solid that should be observable in the current experimental setup.

  2. Emergence of a Metallic Quantum Solid Phase in a Rydberg-Dressed Fermi Gas.

    PubMed

    Li, Wei-Han; Hsieh, Tzu-Chi; Mou, Chung-Yu; Wang, Daw-Wei

    2016-07-15

    We examine possible low-temperature phases of a repulsively Rydberg-dressed Fermi gas in a three-dimensional free space. It is shown that the collective density excitations develop a roton minimum, which is softened at a wave vector smaller than the Fermi wave vector when the particle density is above a critical value. The mean field calculation shows that, unlike the insulating density wave states often observed in conventional condensed matters, a self-assembled metallic density wave state emerges at low temperatures. In particular, the density wave state supports a Fermi surface and a body-centered-cubic crystal order at the same time with the estimated critical temperature being about one tenth of the noninteracting Fermi energy. Our results suggest the emergence of a fermionic quantum solid that should be observable in the current experimental setup. PMID:27472121

  3. Nonlocal van der Waals functionals: the case of rare-gas dimers and solids.

    PubMed

    Tran, Fabien; Hutter, Jürg

    2013-05-28

    Recently, the nonlocal van der Waals (vdW) density functionals [M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)] have attracted considerable attention due to their good performance for systems where weak interactions are important. Since the physics of dispersion is included in these functionals, they are usually more accurate and show less erratic behavior than the semilocal and hybrid methods. In this work, several variants of the vdW functionals have been tested on rare-gas dimers (from He2 to Kr2) and solids (Ne, Ar, and Kr) and their accuracy compared to standard semilocal approximations, supplemented or not by an atom-pairwise dispersion correction [S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010)]. An analysis of the results in terms of energy decomposition is also provided. PMID:23742450

  4. Analytical flow/thermal modeling of combustion gas flows in Redesigned Solid Rocket Motor test joints

    NASA Technical Reports Server (NTRS)

    Woods, G. H.; Knox, E. C.; Pond, J. E.; Bacchus, D. L.; Hengel, J. E.

    1992-01-01

    A one-dimensional analytical tool, TOPAZ (Transient One-dimensional Pipe flow AnalyZer), was used to model the flow characteristics of hot combustion gases through Redesigned Solid Rocket Motor (RSRM) joints and to compute the resultant material surface temperatures and o-ring seal erosion of the joints. The capabilities of the analytical tool were validated with test data during the Seventy Pound Charge (SPC) motor test program. The predicted RSRM joint thermal response to ignition transients was compared with test data for full-scale motor tests. The one-dimensional analyzer is found to be an effective tool for simulating combustion gas flows in RSRM joints and for predicting flow and thermal properties.

  5. Intramolecular Gas Phase Reactions of Synthetic Non-heme Oxoiron(IV) Ions: Proximity and Spin-State Reactivity Rules

    PubMed Central

    Mas-Ballesté, Rubén; McDonald, Aidan R.; Reed, Dana; Usharani, Dandamudi; Schyman, Patric; Milko, Petr

    2012-01-01

    The intramolecular gas phase reactivity of four oxoiron(IV) complexes supported by tetradentate N4 ligands (L) has been studied by means of tandem mass spectrometry measurements where the gas-phase ions [FeIV(O)(L)(OTf)]+ and [FeIV(O)(L)]2+ were isolated and then allowed to fragment by collision-induced decay (CID). CID fragmentation of cations derived from oxoiron(IV) complexes of TMC (1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane) and L8Py2 (N,N’-bis(2-pyridylmethyl)-1,5-diazacyclooctane) afforded the same predominant products irrespective of whether they were hexacoordinate or pentacoordinate. These products resulted from the loss of water by dehydrogenation of ethylene or propylene linkers on the tetradentate ligand. In contrast, CID fragmentation of ions derived from oxoiron(IV) complexes of linear tetradentate ligands BPMEN (N,N’-bis(2-pyridylmethyl)-1,2-diaminoethane) and BPMPN (N,N’-bis(2-pyridylmethyl)-1,3-diaminopropane) showed predominant oxidative N-dealkylation for the hexacoordinate [FeIV(O)(L)(OTf)]+ cations and predominant dehydrogenation of the diaminoethane/propane backbone for the pentacoordinate [FeIV(O)(L)]2+ cations. DFT calculations on [FeIV(O)(BPMEN)] ions showed that the experimentally observed preference for oxidative N-dealkylation versus dehydrogenation of the diaminoethane linker for the hexa- and pentacoordinate ions, respectively, is dictated by the proximity of the target C–H bond to the oxoiron(IV) moiety and the reactive spin state. Therefore, there must be a difference in ligand topology between the two ions. More importantly, despite the constraints on the geometries of the TSs that prohibit the usual upright σ-trajectory and prevent optimal σCH-σ*z2 overlap, all the reactions still proceed preferentially on the quintet (S = 2) state surface, which increases the number of exchange interactions in the d-block of iron and leads thereby to exchange enhanced reactivity (EER). As such, EER is responsible for the

  6. Intramolecular gas-phase reactions of synthetic nonheme oxoiron(IV) ions: proximity and spin-state reactivity rules.

    PubMed

    Mas-Ballesté, Rubén; McDonald, Aidan R; Reed, Dana; Usharani, Dandamudi; Schyman, Patric; Milko, Petr; Shaik, Sason; Que, Lawrence

    2012-09-10

    The intramolecular gas-phase reactivity of four oxoiron(IV) complexes supported by tetradentate N(4) ligands (L) has been studied by means of tandem mass spectrometry measurements in which the gas-phase ions [Fe(IV)(O)(L)(OTf)](+) (OTf = trifluoromethanesulfonate) and [Fe(IV) (O)(L)](2+) were isolated and then allowed to fragment by collision-induced decay (CID). CID fragmentation of cations derived from oxoiron(IV) complexes of 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane (tmc) and N,N'-bis(2-pyridylmethyl)-1,5-diazacyclooctane (L(8)Py(2)) afforded the same predominant products irrespective of whether they were hexacoordinate or pentacoordinate. These products resulted from the loss of water by dehydrogenation of ethylene or propylene linkers on the tetradentate ligand. In contrast, CID fragmentation of ions derived from oxoiron(IV) complexes of linear tetradentate ligands N,N'-bis(2-pyridylmethyl)-1,2-diaminoethane (bpmen) and N,N'-bis(2-pyridylmethyl)-1,3-diaminopropane (bpmpn) showed predominant oxidative N-dealkylation for the hexacoordinate [Fe(IV)(O)(L)(OTf)](+) cations and predominant dehydrogenation of the diaminoethane/propane backbone for the pentacoordinate [Fe(IV)(O)(L)](2+) cations. DFT calculations on [Fe(IV)(O)(bpmen)] ions showed that the experimentally observed preference for oxidative N-dealkylation versus dehydrogenation of the diaminoethane linker for the hexa- and pentacoordinate ions, respectively, is dictated by the proximity of the target C-H bond to the oxoiron(IV) moiety and the reactive spin state. Therefore, there must be a difference in ligand topology between the two ions. More importantly, despite the constraints on the geometries of the TS that prohibit the usual upright σ trajectory and prevent optimal σ(CH)-σ*(z2) overlap, all the reactions still proceed preferentially on the quintet (S = 2) state surface, which increases the number of exchange interactions in the d block of iron and leads thereby to exchange enhanced

  7. A planar anode-supported Solid Oxide Fuel Cell model with internal reforming of natural gas

    NASA Astrophysics Data System (ADS)

    Chinda, P.; Chanchaona, S.; Brault, P.; Wechsatol, W.

    2011-05-01

    Solid Oxide Fuel Cells (SOFCs) are of great interest due to their high energy efficiency, low emission level, and multiple fuel utilization. SOFC can operate with various kinds of fuels such as natural gas, carbon monoxide, methanol, ethanol, and hydrocarbon compounds, and they are becoming one of the main competitors among environmentally friendly energy sources for the future. In this study, a mathematical model of a co-flow planar anode-supported solid oxide fuel cell with internal reforming of natural gas has been developed. The model simultaneously solves mass, energy transport equations, and chemical as well as electrochemical reactions. The model can effectively predict the compound species distributions as well as the cell performance under specific operating conditions. The main result is a rather small temperature gradient obtained at 800 °C with S/C = 1 in classical operating conditions. The cell performance is reported for several operating temperatures and pressures. The cell performance is specified in terms of cell voltage and power density at any specific current density. The influence of electrode microstructure on cell performance was investigated. The simulation results show that the steady state performance is almost insensitive to microstructure of cells such as porosity and tortuosity unlike the operating pressure and temperature. However, for SOFC power output enhancement, the power output could be maximized by adjusting the pore size to an optimal value, similarly to porosity and tortuosity. At standard operating pressure (1 atm) and 800 °C with 48% fuel utilization, when an output cell voltage was 0.73 V, a current density of 0.38 A cm-2 with a power density of 0.28 W cm-2 was predicted. The accuracy of the model was validated by comparing with existing experimental results from the available literature.

  8. Direct gas-solid carbonation kinetics of steel slag and the contribution to in situ sequestration of flue gas CO(2) in steel-making plants.

    PubMed

    Tian, Sicong; Jiang, Jianguo; Chen, Xuejing; Yan, Feng; Li, Kaimin

    2013-12-01

    Direct gas-solid carbonation of steel slag under various operational conditions was investigated to determine the sequestration of the flue gas CO2 . X-ray diffraction analysis of steel slag revealed the existence of portlandite, which provided a maximum theoretical CO2 sequestration potential of 159.4 kg CO 2 tslag (-1) as calculated by the reference intensity ratio method. The carbonation reaction occurred through a fast kinetically controlled stage with an activation energy of 21.29 kJ mol(-1) , followed by 10(3) orders of magnitude slower diffusion-controlled stage with an activation energy of 49.54 kJ mol(-1) , which could be represented by a first-order reaction kinetic equation and the Ginstling equation, respectively. Temperature, CO2 concentration, and the presence of SO2 impacted on the carbonation conversion of steel slag through their direct and definite influence on the rate constants. Temperature was the most important factor influencing the direct gas-solid carbonation of steel slag in terms of both the carbonation conversion and reaction rate. CO2 concentration had a definite influence on the carbonation rate during the kinetically controlled stage, and the presence of SO2 at typical flue gas concentrations enhanced the direct gas-solid carbonation of steel slag. Carbonation conversions between 49.5 % and 55.5 % were achieved in a typical flue gas at 600 °C, with the maximum CO2 sequestration amount generating 88.5 kg CO 2 tslag (-1) . Direct gas-solid carbonation of steel slag showed a rapid CO2 sequestration rate, high CO2 sequestration amounts, low raw-material costs, and a large potential for waste heat utilization, which is promising for in situ carbon capture and sequestration in the steel industry. PMID:23913597

  9. Lattice Boltzmann simulation of the gas-solid adsorption process in reconstructed random porous media.

    PubMed

    Zhou, L; Qu, Z G; Ding, T; Miao, J Y

    2016-04-01

    The gas-solid adsorption process in reconstructed random porous media is numerically studied with the lattice Boltzmann (LB) method at the pore scale with consideration of interparticle, interfacial, and intraparticle mass transfer performances. Adsorbent structures are reconstructed in two dimensions by employing the quartet structure generation set approach. To implement boundary conditions accurately, all the porous interfacial nodes are recognized and classified into 14 types using a proposed universal program called the boundary recognition and classification program. The multiple-relaxation-time LB model and single-relaxation-time LB model are adopted to simulate flow and mass transport, respectively. The interparticle, interfacial, and intraparticle mass transfer capacities are evaluated with the permeability factor and interparticle transfer coefficient, Langmuir adsorption kinetics, and the solid diffusion model, respectively. Adsorption processes are performed in two groups of adsorbent media with different porosities and particle sizes. External and internal mass transfer resistances govern the adsorption system. A large porosity leads to an early time for adsorption equilibrium because of the controlling factor of external resistance. External and internal resistances are dominant at small and large particle sizes, respectively. Particle size, under which the total resistance is minimum, ranges from 3 to 7 μm with the preset parameters. Pore-scale simulation clearly explains the effect of both external and internal mass transfer resistances. The present paper provides both theoretical and practical guidance for the design and optimization of adsorption systems. PMID:27176384

  10. Origin of melting point depression for rare gas solids confined in carbon pores

    NASA Astrophysics Data System (ADS)

    Morishige, Kunimitsu; Kataoka, Takaaki

    2015-07-01

    To obtain insights into the mechanism of the melting-point depression of rare gas solids confined in crystalline carbon pores, we examined the freezing and melting behavior of Xe and Ar confined to the crystalline pores of ordered mesoporous carbons as well as compressed exfoliated graphite compared to the amorphous pores of ordered mesoporous silicas, by means of X-ray diffraction. For the Xe and Ar confined to the crystalline carbon pores, there was no appreciable thermal hysteresis between freezing and melting. Furthermore, the position of the main diffraction peak did not change appreciably on freezing and melting. This strongly suggests that the liquids confined in the carbon pores form a multilayered structure parallel to the smooth walls. For the Xe and Ar confined to the amorphous silica pores, on the other hand, the position of the main diffraction peak shifted into higher scattering angle on freezing suggested that the density of the confined solid is distinctly larger than for the confined liquid. Using compressed exfoliated graphite with carbon walls of higher crystallinity, we observed that three-dimensional (3D) microcrystals of Xe confined in the slit-shaped pores melted to leave the unmelted bilayers on the pore walls below the bulk triple point. The lattice spacing of the 3D microcrystals confined is larger by ˜0.7% than that of the bilayer next to the pore walls in the vicinity of the melting point.

  11. Probing Molecular Recognition at the Solid-Gas Interface by Sum-Frequency Vibrational Spectroscopy.

    PubMed

    Aprile, Arianna; Ciuchi, Federica; Pinalli, Roberta; Dalcanale, Enrico; Pagliusi, Pasquale

    2016-08-01

    Molecular recognition is among the most important chemical events in living systems and has been emulated in supramolecular chemistry, driven by chemical and biochemical sensing potential. Identifying host-guest association in situ at the interface, between the substrate-bound receptors and the analyte-containing media, is essential to predict complexation performances in term of the receptor conformation, orientation and organization. Herein, we report the first sum-frequency vibrational spectroscopy study of molecular recognition at the solid-gas interface. The binding capability of tetraquinoxaline cavitands toward volatile aromatic and aliphatic compounds, namely benzonitrile and acetonitrile, is investigated as test system. We prove the selective complexation of the receptors, organized in a solid-supported hybrid bilayer, toward aromatic compounds. Quantitative analysis allows to correlate the average orientations of the guest molecules and the host binding pockets, establishing "on-axis" complexation of benzonitrile within the cavitand cavity. The study is readily applicable to other receptors, molecular architectures, interfaces and analytes. PMID:27438350

  12. Origin of melting point depression for rare gas solids confined in carbon pores

    SciTech Connect

    Morishige, Kunimitsu Kataoka, Takaaki

    2015-07-21

    To obtain insights into the mechanism of the melting-point depression of rare gas solids confined in crystalline carbon pores, we examined the freezing and melting behavior of Xe and Ar confined to the crystalline pores of ordered mesoporous carbons as well as compressed exfoliated graphite compared to the amorphous pores of ordered mesoporous silicas, by means of X-ray diffraction. For the Xe and Ar confined to the crystalline carbon pores, there was no appreciable thermal hysteresis between freezing and melting. Furthermore, the position of the main diffraction peak did not change appreciably on freezing and melting. This strongly suggests that the liquids confined in the carbon pores form a multilayered structure parallel to the smooth walls. For the Xe and Ar confined to the amorphous silica pores, on the other hand, the position of the main diffraction peak shifted into higher scattering angle on freezing suggested that the density of the confined solid is distinctly larger than for the confined liquid. Using compressed exfoliated graphite with carbon walls of higher crystallinity, we observed that three-dimensional (3D) microcrystals of Xe confined in the slit-shaped pores melted to leave the unmelted bilayers on the pore walls below the bulk triple point. The lattice spacing of the 3D microcrystals confined is larger by ∼0.7% than that of the bilayer next to the pore walls in the vicinity of the melting point.

  13. Municipal solid waste management scenarios for Attica and their greenhouse gas emission impact.

    PubMed

    Papageorgiou, Asterios; Karagiannidis, Avraam; Barton, John R; Kalogirou, Efstratios

    2009-11-01

    Disposal of municipal solid waste in sanitary landfills is still the main waste management method in the Attica region, as in most regions of Greece. Nevertheless, diversion from landfilling is being promoted by regional plans, in which the perspectives of new waste treatment technologies are being evaluated. The present study aimed to assess the greenhouse gas (GHG) emissions impact of different municipal solid waste treatment technologies currently under assessment in the new regional plan for Attica. These technologies are mechanical-biological treatment, mass-burn incineration and mechanical treatment and have been assessed in the context of different scenarios. The present study utilized existing methodologies and emission factors for the quantification of GHG emissions from the waste management process and found that all technologies under assessment could provide GHG emission savings. However, the performance and ranking of these technologies is strongly dependent on the existence of end markets for the waste-derived fuels produced by the mechanical-biological treatment processes. In the absence of these markets the disposal of these fuels would be necessary and thus significant GHG savings would be lost. PMID:19837710

  14. Origin of melting point depression for rare gas solids confined in carbon pores.

    PubMed

    Morishige, Kunimitsu; Kataoka, Takaaki

    2015-07-21

    To obtain insights into the mechanism of the melting-point depression of rare gas solids confined in crystalline carbon pores, we examined the freezing and melting behavior of Xe and Ar confined to the crystalline pores of ordered mesoporous carbons as well as compressed exfoliated graphite compared to the amorphous pores of ordered mesoporous silicas, by means of X-ray diffraction. For the Xe and Ar confined to the crystalline carbon pores, there was no appreciable thermal hysteresis between freezing and melting. Furthermore, the position of the main diffraction peak did not change appreciably on freezing and melting. This strongly suggests that the liquids confined in the carbon pores form a multilayered structure parallel to the smooth walls. For the Xe and Ar confined to the amorphous silica pores, on the other hand, the position of the main diffraction peak shifted into higher scattering angle on freezing suggested that the density of the confined solid is distinctly larger than for the confined liquid. Using compressed exfoliated graphite with carbon walls of higher crystallinity, we observed that three-dimensional (3D) microcrystals of Xe confined in the slit-shaped pores melted to leave the unmelted bilayers on the pore walls below the bulk triple point. The lattice spacing of the 3D microcrystals confined is larger by ∼0.7% than that of the bilayer next to the pore walls in the vicinity of the melting point. PMID:26203042

  15. Lattice Boltzmann simulation of the gas-solid adsorption process in reconstructed random porous media

    NASA Astrophysics Data System (ADS)

    Zhou, L.; Qu, Z. G.; Ding, T.; Miao, J. Y.

    2016-04-01

    The gas-solid adsorption process in reconstructed random porous media is numerically studied with the lattice Boltzmann (LB) method at the pore scale with consideration of interparticle, interfacial, and intraparticle mass transfer performances. Adsorbent structures are reconstructed in two dimensions by employing the quartet structure generation set approach. To implement boundary conditions accurately, all the porous interfacial nodes are recognized and classified into 14 types using a proposed universal program called the boundary recognition and classification program. The multiple-relaxation-time LB model and single-relaxation-time LB model are adopted to simulate flow and mass transport, respectively. The interparticle, interfacial, and intraparticle mass transfer capacities are evaluated with the permeability factor and interparticle transfer coefficient, Langmuir adsorption kinetics, and the solid diffusion model, respectively. Adsorption processes are performed in two groups of adsorbent media with different porosities and particle sizes. External and internal mass transfer resistances govern the adsorption system. A large porosity leads to an early time for adsorption equilibrium because of the controlling factor of external resistance. External and internal resistances are dominant at small and large particle sizes, respectively. Particle size, under which the total resistance is minimum, ranges from 3 to 7 μm with the preset parameters. Pore-scale simulation clearly explains the effect of both external and internal mass transfer resistances. The present paper provides both theoretical and practical guidance for the design and optimization of adsorption systems.

  16. Lattice Boltzmann simulation of gas-solid adsorption processes at pore scale level

    NASA Astrophysics Data System (ADS)

    Zhou, L.; Qu, Z. G.; Chen, L.; Tao, W. Q.

    2015-11-01

    A two-dimensional lattice Boltzmann (LB) approach was established to implement kinetic concentration boundary conditions in interfacial mass-transfer processes and to simulate the adsorption process in porous media at pore scale and mesoscopic levels. A general treatment was applied to conduct three types of concentration boundary conditions effectively and accurately. Applicability for adsorption was verified by two benchmark examples, which were representative of the interparticle mass transport and intraparticle mass transport in the adsorption system, respectively. The gas-solid adsorption process in reconstructed porous media at the pore scale level was numerically investigated. Mass-transfer processes of the adsorption reaction were simulated by executing Langmuir adsorption kinetics on surfaces of adsorbent particles. Meanwhile, the homogeneous solid diffusion model (HSDM) was used for mass transport in interior particles. The transient adsorbed amount was obtained in detail, and the impact of flow condition, porosity, and adsorbent particle size on the entire dynamic adsorption performance was investigated. The time needed to approach steady state decreased with increased fluid velocity. Transient adsorption capability and time consumption to equilibrium were nearly independent of porosity, whereas increasing pore size led to a moderating adsorption rate and more time was consumed to approach the saturation adsorption. Benefiting from the advantages of the LB method, both bulk and intraparticle mass transfer performances during adsorption can be obtained using the present pore scale approach. Thus, interparticle mass transfer and intraparticle mass transfer are the two primary segments, and intraparticle diffusion has the dominant role.

  17. Vapor-liquid-solid epitaxial growth of Si1-xGex alloy nanowires. Composition dependence on precursor reactivity and morphology control for vertical forests

    SciTech Connect

    Choi, S. G.; Manandhar, P.; Picraux, S. T.

    2015-07-07

    The growth of high-density group IV alloy nanowire forests is critical for exploiting their unique functionalities in many applications. Here, the compositional dependence on precursor reactivity and optimized conditions for vertical growth are studied for Si1- x Ge x alloy nanowires grown by the vapor-liquid-solid method. The nanowire composition versus gas partial-pressure ratio for germane-silane and germane-disilane precursor combinations is obtained at 350°C over a wide composition range (0.05 ≤ x ≤ 0.98) and a generalized model to predict composition for alloy nanowires is developed based on the relative precursor partial pressures and reactivity ratio. In combination with germane, silane provides more precise compositional control at high Ge concentrations (x > 0.7), whereas disilane greatly increases the Si concentration for a given gas ratio and enables more precise alloy compositional control at small Ge concentrations (x < 0.3). Vertically oriented, non-kinking nanowire forest growth on Si (111) substrates is then discussed for silane/germane over a wide range of compositions, with temperature and precursor partial pressure optimized by monitoring the nanowire growth front using in-situ optical reflectance. For high Ge compositions (x ≈ 0.9), a “two-step” growth approach with nucleation at higher temperatures results in nanowires with high-density and uniform vertical orientation. Furthermore, increasing Si content (x ≈ 0.8), the optimal growth window is shifted to higher temperatures, which minimizes nanowire kinking morphologies. For Si-rich Si1- x Ge x alloys (x ≈ 0.25), vertical nanowire growth is enhanced by single-step, higher-temperature growth at reduced pressures.

  18. The influence of roughness of the surface on the interchange of momentum between gas flow and solid surface

    NASA Astrophysics Data System (ADS)

    Erofeev, A. I.; Friedlander, O. G.; Nikiforov, A. P.; Nesterov, S. B.; Nezhmetdinova, R. A.

    2012-11-01

    The interaction of high velocity free-molecular gas flow with the solid surface is studied. The influence of the surface structure on the momentum and scattering indicatrix of reflected molecular flow are investigated. The results of theoretical and experimental investigation of the gas flow scattered by a rough surface are given. Data about the surface structure, received by atomic force microscope are also reported.

  19. A reactive transport modelling approach to assess the leaching potential of hydraulic fracturing fluids associated with coal seam gas extraction

    NASA Astrophysics Data System (ADS)

    Mallants, Dirk; Simunek, Jirka; Gerke, Kirill

    2015-04-01

    Coal Seam Gas production generates large volumes of "produced" water that may contain compounds originating from the use of hydraulic fracturing fluids. Such produced water also contains elevated concentrations of naturally occurring inorganic and organic compounds, and usually has a high salinity. Leaching of produced water from storage ponds may occur as a result of flooding or containment failure. Some produced water is used for irrigation of specific crops tolerant to elevated salt levels. These chemicals may potentially contaminate soil, shallow groundwater, and groundwater, as well as receiving surface waters. This paper presents an application of scenario modelling using the reactive transport model for variably-saturated media HP1 (coupled HYDRUS-1D and PHREEQC). We evaluate the fate of hydraulic fracturing chemicals and naturally occurring chemicals in soil as a result of unintentional release from storage ponds or when produced water from Coal Seam Gas operations is used in irrigation practices. We present a review of exposure pathways and relevant hydro-bio-geo-chemical processes, a collation of physico-chemical properties of organic/inorganic contaminants as input to a set of generic simulations of transport and attenuation in variably saturated soil profiles. We demonstrate the ability to model the coupled processes of flow and transport in soil of contaminants associated with hydraulic fracturing fluids and naturally occurring contaminants.

  20. Inhaled hydrogen gas therapy for prevention of noise-induced hearing loss through reducing reactive oxygen species.

    PubMed

    Kurioka, Takaomi; Matsunobu, Takeshi; Satoh, Yasushi; Niwa, Katsuki; Shiotani, Akihiro

    2014-12-01

    Reactive oxygen species (ROS) that form in the inner ear play an important role in noise-induced hearing loss (NIHL). Recent studies have revealed that molecular hydrogen (H2) has great potential for reducing ROS. In this study, we examined the potential of hydrogen gas to protect against NIHL. We tested this hypothesis in guinea pigs with 0.5%, 1.0% and 1.5% H2 inhalation in air for 5h a day after noise exposure, for five consecutive days. All animals underwent measurements for auditory brainstem response after the noise exposure; the results revealed that there was a better improvement in the threshold shift for the 1.0% and 1.5% H2-treated groups than the non-treated group. Furthermore, outer hair cell (OHC) loss was examined 7 days after noise exposure. A significantly higher survival rate of OHCs was observed in the 1.0% and 1.5% H2-treated group as compared to that of the non-treated group in the basal turn. Immunohistochemical analyses for 8-hydroxy-2'-deoxyguanosine (8-OHdG) were performed to examine the amount of oxidative DNA damage. While strong immunoreactivities against 8-OHdG were observed of the non-treated group, the H2-treated group showed decreased immunoreactivity for 8-OHdG. These findings strongly suggest that inhaled hydrogen gas protects against NIHL. PMID:25196919

  1. Metal etching with reactive gas cluster ion beams using pickup cell

    SciTech Connect

    Toyoda, Noriaki; Yamada, Isao

    2012-11-06

    Mixed gas cluster ion beams were formed using pickup cell for metal etching. O{sub 2} neutral clusters pick up acetic acid and formed mixed cluster beam. By using O{sub 2}-GCIB with acetic acid, enhancement of Cu etching was observed. Because of dense energy deposition by GCIB, etching of Cu proceeds by CuO formation, enhancement of chemical reaction with acetic acid and desorption of etching products. Surface roughening was not observed on poly crystalline Cu because of the small dependence of etching rate on crystal orientation. Halogen free and low-temperature metal etching with GCIB using pickup cell is possible.

  2. Reactive Carbon from Life Support Wastes for Incinerator Flue Gas Cleanup

    NASA Technical Reports Server (NTRS)

    Fisher, J. W.; Pisharody, S.; Moran, M. J.; Wignarajah, K.; Shi, Y.

    2002-01-01

    This paper presents the results from a joint research initiative between NASA Ames Research Center and Lawrence Berkeley National lab. The objective of the research is to produce activated carbon from life support wastes and to use the activated carbon to adsorb and chemically reduce the NO(sub x) and SO(sub 2) contained in incinerator flue gas. Inedible biomass waste from food production is the primary waste considered for conversion to activated carbon. Results to date show adsorption of both NO(sub x) and SO(sub 2) in activated carbon made from biomass. Conversion of adsorbed NO(sub x) to nitrogen has also been observed.

  3. Reactive carbon from life support wastes for incinerator flue gas cleanup-System Testing

    SciTech Connect

    Fisher, John W.; Pisharody, Suresh; Moran, Mark J.; Wignarajah, Kanapathipillai; Xu, X.H.; Shi, Yao; Chang, Shih-Ger

    2002-05-14

    This paper presents the results from a joint research initiative between NASA Ames Research Center and Lawrence Berkeley National lab. The objective of the research is to produce activated carbon from life support wastes and to use the activated carbon to adsorb and chemically reduce the NO{sub x} and SO{sub 2} contained in incinerator flue gas. Inedible biomass waste from food production is the primary waste considered for conversion to activated carbon. Results to date show adsorption of both NO{sub x} and SO{sub 2} in activated carbon made from biomass. Conversion of adsorbed NO{sub x} to nitrogen has also been observed.

  4. Infrared-induced reactivity of N2O on small gas-phase rhodium clusters.

    PubMed

    Hamilton, Suzanne M; Hopkins, W Scott; Harding, Dan J; Walsh, Tiffany R; Haertelt, Marko; Kerpal, Christian; Gruene, Philipp; Meijer, Gerard; Fielicke, André; Mackenzie, Stuart R

    2011-03-31

    Far- and mid-infrared multiple photon dissociation spectroscopy has been employed to study both the structure and surface reactivity of isolated cationic rhodium clusters with surface-adsorbed nitrous oxide, Rh(n)N(2)O(+) (n = 4-8). Comparison of experimental spectra recorded using the argon atom tagging method with those calculated using density functional theory (DFT) reveals that the nitrous oxide is molecularly bound on the rhodium cluster via the terminal N-atom. Binding is thought to occur exclusively on atop sites with the rhodium clusters adopting close-packed structures. In related, but conceptually different experiments, infrared pumping of the vibrational modes corresponding with the normal modes of the adsorbed N(2)O has been observed to result in the decomposition of the N(2)O moiety and the production of oxide clusters. This cluster surface chemistry is observed for all cluster sizes studied except for n = 5. Plausible N(2)O decomposition mechanisms are given based on DFT calculations using exchange-correlation functionals. Similar experiments pumping the Rh-O stretch in Rh(n)ON(2)O(+) complexes, on which the same chemistry is observed, confirm the thermal nature of this reaction. PMID:21391545

  5. Kinetics of thermochemical gas-solid reactions important in the Venus sulfur cycle

    NASA Technical Reports Server (NTRS)

    Fegley, Bruce, Jr.

    1988-01-01

    The thermochemical net reaction CaCO3 + SO2 yields CaSO4 + CO is predicted to be an important sink for incorporation of SO2 into the Venus crust. The reaction rate law was established to understand the dependence of rate on experimental variables such as temperature and partial pressure of SO2, CO2, and O2. The experimental approach was a variant of the thermogravimetric method often employed to study the kinetics of thermochemical gas-solid reactions. Clear calcite crystals were heated at constant temperature in SO2-bearing gas streams for varying time periods. Reaction rate was determined by three independent methods. A weighted linear least squares fit to all rate data yielded a rate equation. Based on the Venera 13, 14 and Vega 2 observations of CaO content of the Venus atmosphere, SO2 at the calculated rate would be removed from the Venus atmosphere in about 1,900,00 years. The most plausible endogenic source of the sulfur needed to replenish atmospheric SO2 is volcanism. The annual amount of erupted material needed for the replenishment depends on sulfur content; three ratios are used to calculate rates ranging from 0.4 to 11 cu km/year. This geochemically derived volcanism rate can be used to test if geophysically derived rates are correct. The work also suggests that Venus is less volcanically active than the Earth.

  6. Networked solid oxide fuel cell stacks combined with a gas turbine cycle

    NASA Astrophysics Data System (ADS)

    Selimovic, Azra; Palsson, Jens

    An improved design of fuel cells stacks arrangement has been suggested before for MCFC where reactant streams are ducted such that they are fed and recycled among multiple MCFC stacks in series. By networking fuel cell stacks, increased efficiency, improved thermal balance, and higher total reactant utilisation can be achieved. In this study, a combination of networked solid oxide fuel cell (SOFC) stacks and a gas turbine (GT) has been modelled and analysed. In such a combination, the stacks are operating in series with respect to the fuel flow. In previous studies, conducted on hybrid SOFC/GT cycles by the authors, it was shown that the major part of the output of such cycles can be addressed to the fuel cell. In those studies, a single SOFC with parallel gas flows to individual cells were assumed. It can be expected that if the performance of the fuel cell is enhanced by networking, the overall system performance will improve. In the first part of this paper, the benefit of the networked stacks is demonstrated for a stand alone stack while the second part analyses and discusses the impact networking of the stacks has on the SOFC/GT system performance and design. For stacks with both reactant streams in series, a significant increase of system efficiency was found (almost 5% points), which, however, can be explained mainly by an improved thermal management.

  7. A one-dimensional model for gas-solid heat transfer in pneumatic conveying

    NASA Astrophysics Data System (ADS)

    Smajstrla, Kody Wayne

    A one-dimensional ODE model reduced from a two-fluid model of a higher dimensional order is developed to study dilute, two-phase (air and solid particles) flows with heat transfer in a horizontal pneumatic conveying pipe. Instead of using constant air properties (e.g., density, viscosity, thermal conductivity) evaluated at the initial flow temperature and pressure, this model uses an iteration approach to couple the air properties with flow pressure and temperature. Multiple studies comparing the use of constant or variable air density, viscosity, and thermal conductivity are conducted to study the impact of the changing properties to system performance. The results show that the fully constant property calculation will overestimate the results of the fully variable calculation by 11.4%, while the constant density with variable viscosity and thermal conductivity calculation resulted in an 8.7% overestimation, the constant viscosity with variable density and thermal conductivity overestimated by 2.7%, and the constant thermal conductivity with variable density and viscosity calculation resulted in a 1.2% underestimation. These results demonstrate that gas properties varying with gas temperature can have a significant impact on a conveying system and that the varying density accounts for the majority of that impact. The accuracy of the model is also validated by comparing the simulation results to the experimental values found in the literature.

  8. Solid Oxide Fuel Cell/Gas Turbine Hybrid Cycle Technology for Auxiliary Aerospace Power

    NASA Technical Reports Server (NTRS)

    Steffen, Christopher J., Jr.; Freeh, Joshua E.; Larosiliere, Louis M.

    2005-01-01

    A notional 440 kW auxiliary power unit has been developed for 300 passenger commercial transport aircraft in 2015AD. A hybrid engine using solid-oxide fuel cell stacks and a gas turbine bottoming cycle has been considered. Steady-state performance analysis during cruise operation has been presented. Trades between performance efficiency and system mass were conducted with system specific energy as the discriminator. Fuel cell performance was examined with an area specific resistance. The ratio of fuel cell versus turbine power was explored through variable fuel utilization. Area specific resistance, fuel utilization, and mission length had interacting effects upon system specific energy. During cruise operation, the simple cycle fuel cell/gas turbine hybrid was not able to outperform current turbine-driven generators for system specific energy, despite a significant improvement in system efficiency. This was due in part to the increased mass of the hybrid engine, and the increased water flow required for on-board fuel reformation. Two planar, anode-supported cell design concepts were considered. Designs that seek to minimize the metallic interconnect layer mass were seen to have a large effect upon the system mass estimates.

  9. Venus volcanism: Rate estimates from laboratory studies of sulfur gas-solid reactions

    NASA Technical Reports Server (NTRS)

    Ehlers, K.; Fegley, B., Jr.; Prinn, R. G.

    1989-01-01

    Thermochemical reactions between sulfur-bearing gases in the atmosphere of Venus and calcium-, iron-, magnesium-, and sulfur-bearing minerals on the surface of Venus are an integral part of a hypothesized cycle of thermochemical and photochemical reactions responsible for the maintenance of the global sulfuric acid cloud cover on Venus. SO2 is continually removed from the Venus atmosphere by reaction with calcium bearing minerals on the planet's surface. The rate of volcanism required to balance SO2 depletion by reactions with calcium bearing minerals on the Venus surface can therefore be deduced from a knowledge of the relevant gas-solid reaction rates combined with reasonable assumptions about the sulfur content of the erupted material (gas + magma). A laboratory program was carried out to measure the rates of reaction between SO2 and possible crustal minerals on Venus. The reaction of CaCO3(calcite) + SO2 yields CaSO4 (anhydrite) + CO was studied. Brief results are given.

  10. Coping with matrix effects in headspace solid phase microextraction gas chromatography using multivariate calibration strategies.

    PubMed

    Ferreira, Vicente; Herrero, Paula; Zapata, Julián; Escudero, Ana

    2015-08-14

    SPME is extremely sensitive to experimental parameters affecting liquid-gas and gas-solid distribution coefficients. Our aims were to measure the weights of these factors and to design a multivariate strategy based on the addition of a pool of internal standards, to minimize matrix effects. Synthetic but real-like wines containing selected analytes and variable amounts of ethanol, non-volatile constituents and major volatile compounds were prepared following a factorial design. The ANOVA study revealed that even using a strong matrix dilution, matrix effects are important and additive with non-significant interaction effects and that it is the presence of major volatile constituents the most dominant factor. A single internal standard provided a robust calibration for 15 out of 47 analytes. Then, two different multivariate calibration strategies based on Partial Least Square Regression were run in order to build calibration functions based on 13 different internal standards able to cope with matrix effects. The first one is based in the calculation of Multivariate Internal Standards (MIS), linear combinations of the normalized signals of the 13 internal standards, which provide the expected area of a given unit of analyte present in each sample. The second strategy is a direct calibration relating concentration to the 13 relative areas measured in each sample for each analyte. Overall, 47 different compounds can be reliably quantified in a single fully automated method with overall uncertainties better than 15%. PMID:26166296

  11. Nickel oxide nanowires: vapor liquid solid synthesis and integration into a gas sensing device.

    PubMed

    Kaur, N; Comini, E; Zappa, D; Poli, N; Sberveglieri, G

    2016-05-20

    In the field of advanced sensor technology, metal oxide nanostructures are promising materials due to their high charge carrier mobility, easy fabrication and excellent stability. Among all the metal oxide semiconductors, nickel oxide (NiO) is a p-type semiconductor with a wide band gap and excellent optical, electrical and magnetic properties, which has not been much investigated. Herein, we report the growth of NiO nanowires by using the vapor liquid solid (VLS) technique for gas sensing applications. Platinum, palladium and gold have been used as a catalyst for the growth of NiO nanowires. The surface morphology of the nanowires was investigated through scanning electron microscopy to find out which catalyst and growth conditions are best for the growth of nanowires. GI-XRD and Raman spectroscopies were used to confirm the crystalline structure of the material. Different batches of sensors have been prepared, and their sensing performances towards different gas species such as carbon monoxide, ethanol, acetone and hydrogen have been explored. NiO nanowire sensors show interesting and promising performances towards hydrogen. PMID:27053627

  12. Lattice model theory of the equation of state covering the gas, liquid, and solid phases

    NASA Technical Reports Server (NTRS)

    Bonavito, N. L.; Tanaka, T.; Chan, E. M.; Horiguchi, T.; Foreman, J. C.

    1975-01-01

    The three stable states of matter and the corresponding phase transitions were obtained with a single model. Patterned after Lennard-Jones and Devonshires's theory, a simple cubic lattice model containing two fcc sublattices (alpha and beta) is adopted. The interatomic potential is taken to be the Lennard-Jones (6-12) potential. Employing the cluster variation method, the Weiss and the pair approximations on the lattice gas failed to give the correct phase diagrams. Hybrid approximations were devised to describe the lattice term in the free energy. A lattice vibration term corresponding to a free volume correction is included semi-phenomenologically. The combinations of the lattice part and the free volume part yield the three states and the proper phase diagrams. To determine the coexistence regions, the equalities of the pressure and Gibbs free energy per molecule of the coexisting phases were utilized. The ordered branch of the free energy gives rise to the solid phase while the disordered branch yields the gas and liquid phases. It is observed that the triple point and the critical point quantities, the phase diagrams and the coexistence regions plotted are in good agreement with the experimental values and graphs for argon.

  13. Structural Analysis of Perfluoropropanoyl Fluoride in the Gas, Liquid, and Solid Phases.

    PubMed

    Berrueta Martínez, Yanina; Reuter, Christian G; Vishnevskiy, Yury V; Bava, Yanina B; Picone, A Lorena; Romano, Rosana M; Stammler, Hans-Georg; Neumann, Beate; Mitzel, Norbert W; Della Védova, Carlos O

    2016-04-21

    The coexistence of two conformers in perfluoropropanoyl fluoride, CF3CF2C(O)F, differing in the CC-CF dihedral angle (gauche 85(10)% and anti 15(10)%), has been determined by means of gas-phase electron diffraction (GED). Quantum-chemical calculations performed at the MP2 and B3LYP approximations and cc-pVTZ basis sets reproduce the experimental values with confidence. By contrast, FTIR spectra give no clear evidence for the anti-conformer in the gas phase. Information on this less abundant but stable rotamer is obtained from matrix-isolation/FTIR spectroscopy and liquid Raman spectroscopy. In situ crystallization and single-crystal X-ray diffraction (XRD) data reveal the presence of solely the gauche-conformation in the solid state. A set of intermolecular interactions including C═O···C═O, C-F···F-C, and F···C═O is detected. The nature of bonding and the relative stabilities of gauche- and anti-conformers are explored using natural bond orbitals. PMID:27023801

  14. Electrochemical gas-electricity cogeneration through direct carbon solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Xie, Yongmin; Cai, Weizi; Xiao, Jie; Tang, Yubao; Liu, Jiang; Liu, Meilin

    2015-03-01

    Solid oxide fuel cells (SOFCs), with yttrium stabilized zirconia (YSZ) as electrolyte, composite of strontium-doped lanthanum manganate (LSM) and YSZ as cathode, and cermet of silver and gadolinium-doped ceria (GDC) as anode, are prepared and tested with 5wt% Fe-loaded activated carbon as fuel and ambient air as oxidant. It is found that electricity and CO gas can be cogenerated in the direct carbon SOFCs through the electrochemical oxidation of CO and the Boudouard reaction. The gas-electricity cogeneration performances are investigated by taking the operating time of the DC-SOFCs as a measure of rate decrease of the Boudouard reaction. Three single cells and a two-cell-stack are tested and characterized in terms of electrical power output, CO production rate, electrical conversion efficiency, and overall conversion efficiency. It turns out that a rapid rate of the Boudouard reaction is necessary for getting high electrical power and CO production. Taking the emitted CO as part of the power output, an overall efficiency of 76.5% for the single cell, and of 72.5% for the stack, is obtained.

  15. The impact of municipal solid waste management on greenhouse gas emissions in the United States.

    PubMed

    Weitz, Keith A; Thorneloe, Susan A; Nishtala, Subba R; Yarkosky, Sherry; Zannes, Maria

    2002-09-01

    Technological advancements, environmental regulations, and emphasis on resource conservation and recovery have greatly reduced the environmental impacts of municipal solid waste (MSW) management, including emissions of greenhouse gases (GHGs). This study was conducted using a life-cycle methodology to track changes in GHG emissions during the past 25 years from the management of MSW in the United States. For the baseline year of 1974, MSW management consisted of limited recycling, combustion without energy recovery, and landfilling without gas collection or control. This was compared with data for 1980, 1990, and 1997, accounting for changes in MSW quantity, composition, management practices, and technology. Over time, the United States has moved toward increased recycling, composting, combustion (with energy recovery) and landfilling with gas recovery, control, and utilization. These changes were accounted for with historical data on MSW composition, quantities, management practices, and technological changes. Included in the analysis were the benefits of materials recycling and energy recovery to the extent that these displace virgin raw materials and fossil fuel electricity production, respectively. Carbon sinks associated with MSW management also were addressed. The results indicate that the MSW management actions taken by U.S. communities have significantly reduced potential GHG emissions despite an almost 2-fold increase in waste generation. GHG emissions from MSW management were estimated to be 36 million metric tons carbon equivalents (MMTCE) in 1974 and 8 MMTCE in 1997. If MSW were being managed today as it was in 1974, GHG emissions would be approximately 60 MMTCE. PMID:12269661

  16. Solid-phase microextraction may catalize hydrogenation when using hydrogen as carrier in gas chromatography.

    PubMed

    Fiorini, D; Boarelli, M C

    2016-07-01

    When hydrogen is used as carrier gas, carbon-carbon double bonds may be hydrogenated in the hot gas chromatograph (GC) injector if introduced by solid-phase microextraction (SPME). SPME fibers coated with polydimethylsiloxane (PDMS)/carboxen/divinylbenzene (DVB), PDMS/carboxen, polyacrylate, PDMS/DVB and PDMS on fused silica, stableflex or metal alloy core have been tested with fatty acid methyl esters (FAMEs) from olive oil. Using coatings containing DVB, hydrogenation took place with high conversion rates (82.0-92.9%) independently of the core material. With all fibers having a metal core, hydrogenation was observed to a certain extent (27.4-85.3%). PDMS, PDMS/carboxen and polyacrylate coated fibers with a fused silica or stableflex core resulted in negligible hydrogenation (0.2-2.5%). The occurrence of hydrogenation was confirmed also with other substances containing carbon-carbon double bonds (n-alkenes, alkenoic acids, mono- and polyunsaturated fatty acid methyl and ethyl esters). PMID:27236484

  17. The Case for Natural Gas Fueled Solid Oxide Fuel Cell Power Systems for Distributed Generation

    SciTech Connect

    Chick, Lawrence A.; Weimar, Mark R.; Whyatt, Greg A.; Powell, Michael R.

    2015-02-01

    Natural-gas-fueled solid oxide fuel cell (NGSOFC) power systems yield electrical conversion efficiencies exceeding 60% and may become a viable alternative for distributed generation (DG) if stack life and manufacturing economies of scale can be realized. Currently, stacks last approximately 2 years and few systems are produced each year because of the relatively high cost of electricity from the systems. If mass manufacturing (10,000 units per year) and a stack life of 15 years can be reached, the cost of electricity from an NGSOFC system is estimated to be about 7.7 ¢/kWh, well within the price of commercial and residential retail prices at the national level (9.9-10¢/kWh and 11-12 ¢/kWh, respectively). With an additional 5 ¢/kWh in estimated additional benefits from DG, NGSOFC could be well positioned to replace the forecasted 59-77 gigawatts of capacity loss resulting from coal plant closures due to stricter emissions regulations and low natural gas prices.

  18. Nickel oxide nanowires: vapor liquid solid synthesis and integration into a gas sensing device

    NASA Astrophysics Data System (ADS)

    Kaur, N.; Comini, E.; Zappa, D.; Poli, N.; Sberveglieri, G.

    2016-05-01

    In the field of advanced sensor technology, metal oxide nanostructures are promising materials due to their high charge carrier mobility, easy fabrication and excellent stability. Among all the metal oxide semiconductors, nickel oxide (NiO) is a p-type semiconductor with a wide band gap and excellent optical, electrical and magnetic properties, which has not been much investigated. Herein, we report the growth of NiO nanowires by using the vapor liquid solid (VLS) technique for gas sensing applications. Platinum, palladium and gold have been used as a catalyst for the growth of NiO nanowires. The surface morphology of the nanowires was investigated through scanning electron microscopy to find out which catalyst and growth conditions are best for the growth of nanowires. GI-XRD and Raman spectroscopies were used to confirm the crystalline structure of the material. Different batches of sensors have been prepared, and their sensing performances towards different gas species such as carbon monoxide, ethanol, acetone and hydrogen have been explored. NiO nanowire sensors show interesting and promising performances towards hydrogen.

  19. Estimates of solid waste disposal rates and reduction targets for landfill gas emissions

    NASA Astrophysics Data System (ADS)

    Powell, Jon T.; Townsend, Timothy G.; Zimmerman, Julie B.

    2016-02-01

    Landfill disposal of municipal solid waste represents one of the largest anthropogenic global methane emission sources, and recent policy approaches have targeted significant reductions of these emissions to combat climate change in the US (ref. ). The efficacy of active gas collection systems in the US was examined by analysing performance data, including fire occurrence, from more than 850 landfills. A generalized linear model showed that the operating status of a landfill--open and actively receiving waste or closed--was the most significant predictor of collection system performance. Gas collection systems at closed landfills were statistically significantly more efficient (p < 0.001) and on average 17 percentage points more efficient than those at open landfills, but open landfills were found to represent 91% of all landfill methane emissions. These results demonstrate the clear need to target open landfills to achieve significant near-term methane emission reductions. This observation is underscored by landfill disposal rates in the US significantly exceeding previously reported national estimates, with this study reporting 262 million tonnes in the year 2012 compared with 122 million tonnes in 2012 as estimated by the US Environmental Protection Agency.

  20. Measurements of gas phase reactive nitrogen during two wildfires in Colorado

    NASA Astrophysics Data System (ADS)

    Prenni, A. J.; Chen, X.; Hecobian, A.; Kreidenweis, S. M.; Collett, J. L.; Schichtel, B. A.

    2012-12-01

    Biomass burning represents an important source of particles and trace gases to the global atmosphere. In addition to carbon species, nitrogen compounds are abundant in biomass burning emissions, with NOx, N2O, and N2 released primarily during flaming combustion, and NH3, amines and nitriles associated with smoldering combustion. Although nitrogen emissions from fires have been documented from laboratory and satellite measurements, and during prescribed burns, few direct measurements have been made during major wildfires. In this presentation, we summarize measurements of gas-phase nitrogen species observed during two wildfires in northern Colorado in 2012: the Hewlett Gulch Fire and High Park Fire. The Hewlett Gulch Fire was directly northwest of Fort Collins, CO and covered 3,100 hectares, while the High Park fire was significantly larger (35,300 hectares), encompassing the Hewlett Gulch Fire and coming within 3-4 km of our laboratory at Colorado State University. Emissions from both fires reached our laboratory, where measurements were made of NOx, NOy, NH3, and additional, unspeciated gas-phase nitrogen compounds. Smoke impacts at our facility ranged from background conditions to periods with very heavy smoke, depending on the local meteorology. We observed dramatic increases in measured concentrations during periods influenced by the fires.

  1. Gas-Microjet Reactive Scattering: Collisions of HCl and DCl with Cool Salty Water.

    PubMed

    Faust, Jennifer A; Sobyra, Thomas B; Nathanson, Gilbert M

    2016-02-18

    Liquid microjets provide a powerful means to investigate reactions of gases with salty water in vacuum while minimizing gas-vapor collisions. We use this technique to explore the fate of gaseous HCl and DCl molecules impinging on 8 molal LiCl and LiBr solutions at 238 K. The experiments reveal that HCl or DCl evaporate infrequently if they become thermally accommodated at the surface of either solution. In particular, we observe minimal thermal desorption of HCl following HCl collisions and no distinct evidence for rapid, interfacial DCl→HCl exchange following DCl collisions. These results imply that surface thermal motions are not generally strong enough to propel momentarily trapped HCl or DCl back into the gas phase before they ionize and disappear into solution. Instead, only HCl and DCl molecules that scatter directly from the surface escape entry. These recoiling molecules transfer less energy upon collision to LiBr/H2O than to LiCl/H2O, reflecting the heavier mass of Br(-) than of Cl(-) in the interfacial region. PMID:26828574

  2. Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding.

    PubMed

    Joly, Laurent; Tocci, Gabriele; Merabia, Samy; Michaelides, Angelos

    2016-04-01

    Defects are inevitably present in nanofluidic systems, yet the role they play in nanofluidic transport remains poorly understood. Here, we report ab initio molecular dynamics (AIMD) simulations of the friction of liquid water on defective graphene and boron nitride sheets. We show that water dissociates at certain defects and that these "reactive" defects lead to much larger friction than the "nonreactive" defects at which water molecules remain intact. Furthermore, we find that friction is extremely sensitive to the chemical structure of reactive defects and to the number of hydrogen bonds they can partake in with the liquid. Finally, we discuss how the insight obtained from AIMD can be used to quantify the influence of defects on friction in nanofluidic devices for water treatment and sustainable energy harvesting. Overall, we provide new insight into the role of interfacial chemistry on nanofluidic transport in real, defective systems. PMID:27012818

  3. Mechanical performance of reactive-air-brazed (RAB) ceramic/metal joints for solid oxide fuel cells at ambient temperature

    NASA Astrophysics Data System (ADS)

    Kuhn, B.; Wetzel, F. J.; Malzbender, J.; Steinbrech, R. W.; Singheiser, L.

    Mechanical integrity of the sealants in planar SOFC stacks is a key prerequisite for reliable operation. In this respect joining with metals rather than brittle glass-ceramics is considered to have advantages. Hence, as one of the joining solutions for SOFCs of planar design, reactive air brazing of ceramic cells into metallic frames gains increasing interest. Fracture experiments are carried out to characterize fracture energy and failure mechanisms of silver-based reactive-air-brazes, used for joining the zirconia electrolytes of anode supported planar cells with metallic Crofer22APU frames. The specimens are mechanically tested in notched beam bending geometry. In-situ observation in optical and SEM resolution reveals specific failure mechanisms. The influence of braze formulation and associated interfacial reactions on the crack path location is addressed. Discussion of the results focuses in particular on the role of oxide scale formation.

  4. A new model for two-dimensional numerical simulation of pseudo-2D gas-solids fluidized beds

    SciTech Connect

    Li, Tingwen; Zhang, Yongmin

    2013-10-11

    Pseudo-two dimensional (pseudo-2D) fluidized beds, for which the thickness of the system is much smaller than the other two dimensions, is widely used to perform fundamental studies on bubble behavior, solids mixing, or clustering phenomenon in different gas-solids fluidization systems. The abundant data from such experimental systems are very useful for numerical model development and validation. However, it has been reported that two-dimensional (2D) computational fluid dynamic (CFD) simulations of pseudo-2D gas-solids fluidized beds usually predict poor quantitative agreement with the experimental data, especially for the solids velocity field. In this paper, a new model is proposed to improve the 2D numerical simulations of pseudo-2D gas-solids fluidized beds by properly accounting for the frictional effect of the front and back walls. Two previously reported pseudo-2D experimental systems were simulated with this model. Compared to the traditional 2D simulations, significant improvements in the numerical predictions have been observed and the predicted results are in better agreement with the available experimental data.

  5. Extension of Toth function from gas-solid to liquid-solid equilibria and application to reversed-phase liquid chromatography systems

    SciTech Connect

    Gritti, Fabrice; Guiochon, Georges A

    2006-03-01

    The extension of the {Psi} function developed by Toth from equilibria taking place at gas-solid interfaces to those taking place at liquid-solid interfaces was investigated. The results were applied to conventional liquid-solid systems used in reversed-phase liquid chromatography (RPLC). The adsorbents in these systems are made of porous silica having a hydrophobic solid surface obtained by chemically bonding C{sub 18} alkyl chains to a porous silica gel then endcapping the surface with trimethylsilyl groups. The liquid is an aqueous solution of an organic solvent, most often methanol or acetonitrile. The probe compound used here is phenol. Adsorption data of phenol were measured using the dynamic frontal analysis (FA) method. The excess adsorption of the organic solvent was measured using the minor disturbance (MD) method. Activity coefficients in the bulk were estimated through the UNIFAC group contributions. The results show that the {Psi} function predicts 90% of the total free energy of immersion, {Delta}F, of the solid when the concentration of phenol is moderate (typically less than 10 g/L). At higher concentrations, the nonideal behavior of the bulk liquid phase becomes significant and it may contribute up to about 30% of {Delta}F. The high concentration of adsorbed molecules of phenol at the interface decreases the interfacial tension, {sigma}, by about 18 mN/m, independently of the structure of the adsorbed phase and of the nature of the organic solvent.

  6. The Effect of Operational Parameters on the Characteristics of Gas-Solid Flow Inside the COREX Shaft Furnace

    NASA Astrophysics Data System (ADS)

    Kou, Mingyin; Wu, Shengli; Du, Kaiping; Shen, Wei; Ma, Xiaodong; Chen, Mao; Zhao, Baojun

    2015-02-01

    The COREX shaft furnace is of great importance to the whole C-3000 process. There are many problems with the operation of the COREX shaft furnace, especially with gas and burden distribution, that have as yet been little studied. The present work establishes a three-dimensional quarter model. After validation by operating data in Baosteel, the model is used to investigate the gas utilization rate and the metallization rate of the COREX shaft furnace. The parameters, including the reducing gas flow, the volume fraction of gas phase, and the multilayered burden, are systematically investigated. The results show that the reducing gas flow has a great influence on the gas utilization rate and the metallization rate, while the volume fraction of gas phase has a more significant effect on the metallization rate than on the gas utilization rate. In order to obtain a higher metallization rate, the reducing gas flow needs to be adjusted step by step and the volume fraction of gas phase needs to be increased. In addition, ore and coke need to be discharged separately in order to increase the solid metallization rate.

  7. Characteristics and reactivity of rapidly hydrated sorbent for semidry flue gas desulfurization.

    PubMed

    Zhang, Jie; You, Changfu; Zhao, Suwei; Chen, Changhe; Qi, Haiying

    2008-03-01

    Semidry flue gas desulfurization with a rapidly hydrated sorbent was studied in a pilot-scale circulating fluidized bed (CFB) experimental facility. The desulfurization efficiency was measured for various operating parameters, including the sorbent recirculation rate and the water spray method. The experimental results show that the desulfurization efficiencies of the rapidly hydrated sorbent were 1.5-3.0 times higher than a commonly used industrial sorbent for calcium to sulfur molar ratios from 1.2 to 3.0, mainly due to the higher specific surface area and pore volume. The Ca(OH)2 content in the cyclone separator ash was about 2.9% for the rapidly hydrated sorbent and was about 0.1% for the commonly used industrial sorbent, due to the different adhesion between the fine Ca(OH)2 particles and the fly ash particles, and the low cyclone separation efficiency for the fine Ca(OH)2 particles that fell off the sorbent particles. Therefore the actual recirculation rates of the active sorbent with Ca(OH)2 particles were higher for the rapidly hydrated sorbent, which also contributed to the higher desulfurization efficiency. The high fly ash content in the rapidly hydrated sorbent resulted in good operating stability. The desulfurization efficiency with upstream water spray was 10-15% higher than that with downstream water spray. PMID:18441824

  8. Gas-phase reactivity and molecular modeling studies on triply protonated dodecapeptides that contain four basic residues.

    PubMed

    Cassady, C J

    1998-07-01

    Gas-phase deprotonation and hydrogen/deuterium (H/D) exchange reactions for ions from three model dodecapeptides were studied by Fourier transform ion cyclotron resonance mass spectrometry. Molecular dynamics calculations were employed to provide information on conformations and Coulomb energies. The peptides, (KGG)4, (K2G4)2, and K4G8, each contain four high basicity lysine residues and eight low basicity glycine residues; however, in the present work only three lysine residues were protonated. Proton transfer reactions with a series of reference amines revealed apparent gas-phase acidities in a narrow range of 207.3-209.6 kcal/mol, with deprotonation efficiencies following the order [K4G8 + 3H]3+ > [(KGG)4 + 3H]3+ > [(K2G4)2 + 3H]3+. The three ions also react similarly with d4-methanol: each exchanged a maximum of 23-25 of their 25 labile hydrogens, with the first 15-17 exchanges occurring at rate constants of (1.6-2.6) x 10(-11) cm3 molecule-1 s-1. The experimental results agree with molecular modeling findings of similar conformations and Coulomb energies for the three peptide ions. The [M + 3H]3+ data are compared to data obtained previously in our laboratory for the "fully" protonated [M + 4H]4+ (Zhang, X.; Ewing, N. P.; Cassady, C. J. Int. J. Mass Spectrom. Ion Phys., in press). For (KGG)4 and (K2G4)2, there is a marked difference in H/D exchange reactivity between 3+ ions and 4+ ions. The 4+ ions, which have diffuse conformations, slowly exchange only 14 hydrogens, whereas their more compact 3+ counterparts exchange 23-25 hydrogens at a 5-times greater rate. In contrast, the 3+ and 4+ ions of K4G8 have similar compact conformations and exchange reactivity. The results indicate that a multiply hydrogen-bonded intermediate between the deuterating reagent and the peptide ion is necessary for facile H/D exchange. The slower, incomplete H/D exchange of [(KGG)4 + 4H]4+ and [(K2G4)2 + 4H]4+ is attributed to the inability of their protonated lysine n

  9. Reactive transport modeling of the long-term effects of CO2 storage in the P18 depleted gas field

    NASA Astrophysics Data System (ADS)

    Tambach, T. J.; Koenen, M.; Wasch, L. J.; Loeve, D.; Maas, J. G.

    2012-04-01

    Depleted gas fields are an import CO2 storage sink for The Netherlands, with a total storage capacity of more than 3 Gtonne. The CO2 sources are located at relatively short distances from potential storage reservoirs and an infrastructure for (cross-border) gas transport over large distances already exists. Several depleted gas fields in the subsurface of the Netherlands have yet been evaluated as potential locations for CO2 storage (for example the K12-B field). The P18 gas field is located in the offshore of The Netherlands and is currently evaluated as potential CO2 storage reservoir. The aim of this study is to predict the long-term effects of CO2 injection into the P18 field using reactive transport modeling (TOUGHREACT). The storage reservoir is described using the mineralogy and petrophysical characteristics of three geological layers in a radial (R,Z) reservoir model with top depth of 3456 m, a thickness of 98 m, and 3300 grid cells. The initial reservoir temperature was defined as 90 degrees C with an initial (depletion) pressure of 20.0 bars. Capillary pressure curves are based on empirical relations. The CO2 is injected uniformly distributed over the model height, at a constant rate of 35 kg/s (1.1 Mton/year), and a temperature of 40 degrees C for 30 years. The well is then shut-in with a reservoir pressure of approximately 375 bar. The simulations are continued up to 10,000 years for computing the long-term effects in the reservoir. The results show that the near-well area is dried out during injection, leading to salt precipitation and reduced permeability during injection. Condensation of the evaporated water occurs outside the near-well area. Water imbibition is modelled after shut in of the well, leading to rewetting of the near-well area and redissolution of the salt. Most geochemical reactions need water to occur, including well-cement minerals, and therefore predictions of water flow after well shut-ins are important to take into account

  10. Henry`s law gas-solid chromatography and correlations of virial coefficients for hydrocarbons, chlorofluorocarbons, ethers, and sulfur hexafluoride adsorbed onto carbon

    SciTech Connect

    Rybolt, T.R.; Epperson, M.T.; Weaver, H.W.; Thomas, H.E.; Clare, S.E.; Manning, B.M.; McClung, J.T.

    1995-07-01

    Gas-solid chromatography was used to determine the Henry`s law second gas-solid virial coefficients within the temperature range of 314--615 K for ethane, propane, butane, isobutane, pentane, hexane, heptane, chloromethane, dichloromethane, trichloromethane, tetrachloromethane, trichlorofluoromethane (Freon 11), chlorodifluoromethane (Freon 22), dichlorodifluoromethane (Freon 12), methyl ether, ethyl ether, and sulfur hexafluoride with Carbopack B, a microporous carbon adsorbent. The temperature dependence of the second gas-solid virial coefficients of these adsorbates was used in conjunction with analyses based on a graphical method, a single-surface numeric integration method, a single-surface analytic expression method, and a two-surface analytic expression method to determine the gas-solid interaction energies and other parameters. The interaction energies were correlated with a ratio of the critical temperature divided by the square root of the critical pressure. The four methods were compared in their abilities to successfully calculate second gas-solid virial coefficient values.

  11. Characteristics and reactivity of rapidly hydrated sorbent for semidry flue gas desulfurization

    SciTech Connect

    Jie Zhang; Changfu You; Suwei Zhao; Changhe Chen; Haiying Qi

    2008-03-01

    The semidry flue gas desulfurization (FGD) process has many advantages over the wet FGD process for moving sulfur dioxide emissions from pulverized coal-fired power plants. Semidry FGD with a rapidly hydrated sorbent was studied in a pilot-scale circulating fluidized bed (CFB) experimental facility. The sorbent was made from lumps of lime and coal fly ash. The desulfurization efficiency was measured for various operating parameters, including the sorbent recirculation rate and the water spray method. The experimental results show that the desulfurization efficiencies of the rapidly hydrated sorbent were 1.5-3.0 times higher than a commonly used industrial sorbent for calcium to sulfur molar ratios from 1.2 to 3.0, mainly due to the higher specific surface area and pore volume. The Ca(OH){sub 2} content in the cyclone separator ash was about 2.9% for the rapidly hydrated sorbent and was about 0.1% for the commonly used industrial sorbent, due to the different adhesion between the fine Ca(OH){sub 2} particles and the fly ash particles, and the low cyclone separation efficiency for the fine Ca(OH){sub 2} particles that fell off the sorbent particles. Therefore the actual recirculation rates of the active sorbent with Ca(OH){sub 2} particles were higher for the rapidly hydrated sorbent, which also contributed to the higher desulfurization efficiency. The high fly ash content in the rapidly hydrated sorbent resulted in good operating stability. The desulfurization efficiency with upstream water spray was 10-15% higher than that with downstream water spray. 20 refs., 7 figs., 1 tab.

  12. GRAVITATIONAL INSTABILITY OF SOLIDS ASSISTED BY GAS DRAG: SLOWING BY TURBULENT MASS DIFFUSIVITY

    SciTech Connect

    Shariff, Karim; Cuzzi, Jeffrey N.

    2011-09-01

    The Goldreich and Ward (axisymmetric) gravitational instability of a razor thin particle layer occurs when the Toomre parameter Q{sub T} {identical_to} c{sub p}{Omega}{sub 0}/{pi}G{Sigma}{sub p} < 1 (c{sub p} being the particle dispersion velocity). Ward extended this analysis by adding the effect of gas drag upon particles and found that even when Q{sub T} > 1, sufficiently long waves were always unstable. Youdin carried out a detailed analysis and showed that the instability allows chondrule-sized ({approx}1 mm) particles to undergo radial clumping with reasonable growth times even in the presence of a moderate amount of turbulent stirring. The analysis of Youdin includes the role of turbulence in setting the thickness of the dust layer and in creating a turbulent particle pressure in the momentum equation. However, he ignores the effect of turbulent mass diffusivity on the disturbance wave. Here, we show that including this effect reduces the growth rate significantly, by an amount that depends on the level of turbulence, and reduces the maximum intensity of turbulence the instability can withstand by 1-3 orders of magnitude. The instability is viable only when turbulence is extremely weak and the solid to gas surface density of the particle layer is considerably enhanced over minimum-mass-nebula values. A simple mechanistic explanation of the instability shows how the azimuthal component of drag promotes instability while the radial component hinders it. A gravito-diffusive overstability is also possible but never realized in the nebula models.

  13. Analysis of phenolic acids as chloroformate derivatives using solid phase microextraction-gas chromatography.

    PubMed

    Citová, Ivana; Sladkovský, Radek; Solich, Petr

    2006-07-28

    In the presented study, a simple and original procedure of phenolic acids derivatization treated by ethyl and methyl chloroformate performed in an aqueous media consisting of acetonitrile, water, methanol/ethanol and pyridine has been modified and optimized. Seven phenolic acid standards-caffeic, ferulic, gallic, p-coumaric, protocatechuic, syringic and vanillic were derivatized into corresponding methyl/ethyl esters and subsequently determined by the means of gas chromatography connected to the flame-ionisation detector (FID). Some selected validation parameters as linearity, detection and quantitation limits and peak area repeatability were valued. The total time of gas chromatography (GC) analysis was 24 min for methyl chloroformate and 30 min for ethyl chloroformate derivatization. The more suitable methyl chloroformate derivatization was used for further experiments on the possibility of multiple pre-concentration by the direct solid phase microextraction technique (SPME). For this purpose, polyacrylate (PA), polydimethylsiloxane (PDMS), carboxen/polydimethylsiloxane (CAR/PDMS) and polydimethylsiloxane/divinylbenzene (PDMS/DVB) fibres were tested and the extraction conditions concerning time of extraction, temperature and time of desorption were optimized. The most polar PA fibre gave the best results under optimal extraction conditions (50 min extraction time, 25 degrees C extraction temperature and 10 min desorption time). As a result, the total time of SPME-GC analysis was 74 min and an increase in method sensitivity was reached. The limits of quantitation (LOQ) of p-coumaric, ferulic, syringic and vanillic acid esters after SPME pre-concentration were 0.02, 0.17, 0.2 and 0.2 microg mL(-1), respectively, showing approximately 10 times higher sensitivity in comparison with the original GC method. PMID:17723529

  14. Greenhouse gas emissions from municipal solid waste management in Vientiane, Lao PDR.

    PubMed

    Babel, Sandhya; Vilaysouk, Xaysackda

    2016-01-01

    Municipal solid waste (MSW) is one of the major environmental problems throughout the world including in Lao PDR. In Vientiane, due to the lack of a collection service, open burning and illegal dumping are commonly practised. This study aims to estimate the greenhouse gas (GHG) emission from the current situation of MSW management (MSWM) in Vientiane and proposes an alternative solution to reduce the GHG emission and environmental impacts. The 2006 Intergovernmental Panel on Climate Change (IPCC) Guidelines for National Greenhouse Gas Inventories (IPCC 2006 model) are used for the estimation of GHG emission from landfill and composting. For the estimation of GHG emission from open burning, the Atmospheric Brown Clouds Emission Inventory Manual (ABC EIM) is used. In Vientiane, a total of 232, 505 tonnes year(-1) of MSW was generated in 2011. Waste generation in Vientiane is 0.69 kg per capita per day, and about 31% of the total MSW generated was directly sent to landfill (71,162 tonnes year(-1)). The total potential GHG emission from the baseline scenario in 2011 was 110,182 tonnes year(-1) CO2-eq, which is 0.15 tonne year(-1) CO2-eq per capita. From the three MSWM scenarios proposed, scenario S3, which includes recycling, composting and landfilling, seems to be an effective solution for dealing with MSW in Vientiane with less air pollution, and is environmentally friendly. The total GHG emission in scenario S3 is reduced to 91,920 tonnes year(-1) CO2-eq (47% reduction), compared with the S1 scenario where all uncollected waste is diverted to landfill. PMID:26608899

  15. Propagation of a cylindrical shock wave in a mixture of a non-ideal gas and small solid particles under the action of monochromatic radiation

    NASA Astrophysics Data System (ADS)

    Sahu, Praveen Kumar; Nath, Gorakh

    2016-07-01

    Cylindrical shock wave in a dusty gas is discussed under the action of monochromatic radiation into stellar atmosphere with a constant intensity on unit area. The gas is assumed to be grey and opaque and shock to be transparent. The dusty gas is assumed to be a mixture of non-ideal gas and small solid particles. To obtain some essential features of the shock propagation, small solid particles are taken as pseudo-fluid and it is assumed that the equilibrium flow condition is maintained in the flow-field. The effects of variation of the parameters of the non-idealness of the gas, the mass concentration of solid particles in the mixture, the ratio of the density of solid particles to the initial density of the gas and the radiation parameter are investigated. It is shown that an increase in the parameters of the non-idealness of the gas and the radiation parameter have decaying effect on the shock waves; whereas with an increase in the ratio of the density of solid particles to the initial density of the gas the shock strength increases. It is found that an increase in the parameter non-idealness of the gas and the ratio of the density of solid particles to the initial density of the gas have opposite behaviour on fluid velocity, pressure and shock strength. Also, it is shown that an increase in the radiation parameter has effect to decrease the flow variables and the shock strength.

  16. Dehydration and Stabilization of a Reactive Tertiary Hydroxyl Group in Solid Oral Dosage Forms of BMS-779788.

    PubMed

    Adams, Monica L; Sharma, Vijayata; Gokhale, Madhushree; Huang, Yande; Stefanski, Kevin; Su, Ching; Hussain, Munir A

    2016-04-01

    BMS-779788 contains a reactive tertiary hydroxyl attached to a weakly basic imidazole ring. Propensity of the carbinol toward dehydration to yield the corresponding alkene, BMS-779788-ALK, was evaluated. Elevated levels of BMS-779788-ALK were observed in excipient compatibility samples. Stability studies revealed that BMS-779788 degrades to BMS-779788-ALK in capsules and tablets prepared by both dry and wet granulation processes. An acid-catalyzed dehydration mechanism, in which the heterocyclic core contributes resonance stability to the cationic intermediate via charge transfer to the imidazole ring, was proposed. Therefore, neutralization via a buffered (pH 7.0) granulating solution was used to mitigate dehydration. Solution studies revealed degradation of BMS-779788 to BMS-779788-ALK over the pH range of 1-7.5. Reversibility was confirmed by initiating reactions with BMS-779788-ALK over the same pH range. Accordingly, a simple reversible scheme can be used to describe reactions initiated with either BMS-779788 or BMS-779788-ALK. To eliminate potential for charge delocalization across the heterocycle and probe the degradation mechanism, the imidazole ring of BMS-779788 was methylated (BMS-779788-Me). The propensity for acid-catalyzed dehydration was then evaluated. The acid stability of BMS-779788-Me confirmed that the heterocyclic core contributes to reactivity liability of the tertiary hydroxyl. PMID:26921118

  17. ReaxFF Reactive Force-Field Modeling of the Triple-Phase Boundary in a Solid Oxide Fuel Cell.

    PubMed

    Merinov, Boris V; Mueller, Jonathan E; van Duin, Adri C T; An, Qi; Goddard, William A

    2014-11-20

    In our study, the Ni/YSZ ReaxFF reactive force field was developed by combining the YSZ and Ni/C/H descriptions. ReaxFF reactive molecular dynamics (RMD) were applied to model chemical reactions, diffusion, and other physicochemical processes at the fuel/Ni/YSZ interface. The ReaxFF RMD simulations were performed on the H2/Ni/YSZ and C4H10/Ni/YSZ triple-phase boundary (TPB) systems at 1250 and 2000 K, respectively. The simulations indicate amorphization of the Ni surface, partial decohesion (delamination) at the interface, and coking, which have indeed all been observed experimentally. They also allowed us to derive the mechanism of the butane conversion at the Ni/YSZ interface. Many steps of this mechanism are similar to the pyrolysis of butane. The products obtained in our simulations are the same as those in experiment, which indicates that the developed ReaxFF potential properly describes complex physicochemical processes, such as the oxide-ion diffusion, fuel conversion, water formation reaction, coking, and delamination, occurring at the TPB and can be recommended for further computational studies of the fuel/electrode/electrolyte interfaces in a SOFC. PMID:26276491

  18. C-Reactive Protein Is an Important Biomarker for Prognosis Tumor Recurrence and Treatment Response in Adult Solid Tumors: A Systematic Review

    PubMed Central

    Shrotriya, Shiva; Walsh, Declan; Bennani-Baiti, Nabila; Thomas, Shirley; Lorton, Cliona

    2015-01-01

    Purpose A systematic literature review was done to determine the relationship between elevated CRP and prognosis in people with solid tumors. C-reactive protein (CRP) is a serum acute phase reactant and a well-established inflammatory marker. We also examined the role of CRP to predict treatment response and tumor recurrence. Methods MeSH (Medical Subject Heading) terms were used to search multiple electronic databases (PubMed, EMBASE, Web of Science, SCOPUS, EBM-Cochrane). Two independent reviewers selected research papers. We also included a quality Assessment (QA) score. Reports with QA scores <50% were excluded. PRISMA (Preferred Reporting Items for Systematic Reviews and Meta-Analysis) methodology was utilized for this review (S1 PRISMA Checklist). Results 271 articles were identified for final review. There were 45% prospective studies and 52% retrospective. 264 had intermediate QA score (≥50% but <80%); Seven were adequate (80% -100%); A high CRP was predictive of prognosis in 90% (245/271) of studies—80% of the 245 studies by multivariate analysis, 20% by univariate analysis. Many (52%) of the articles were about gastrointestinal malignancies (GI) or kidney malignancies. A high CRP was prognostic in 90% (127 of 141) of the reports in those groups of tumors. CRP was also prognostic in most reports in other solid tumors primary sites. Conclusions A high CRP was associated with higher mortality in 90% of reports in people with solid tumors primary sites. This was particularly notable in GI malignancies and kidney malignancies. In other solid tumors (lung, pancreas, hepatocellular cancer, and bladder) an elevated CRP also predicted prognosis. In addition there is also evidence to support the use of CRP to help decide treatment response and identify tumor recurrence. Better designed large scale studies should be conducted to examine these issues more comprehensively. PMID:26717416

  19. Chemical reactivity of aprotic electrolytes on a solid Li2O2 surface: screening solvents for Li-air batteries

    NASA Astrophysics Data System (ADS)

    Laino, Teodoro; Curioni, Alessandro

    2013-09-01

    Nowadays, simulation techniques are routinely used to generate accurate models of the structures of crystalline and amorphous solids, to study surfaces, defects and the properties of complex systems, and to screen possible candidate materials for the most diverse types of technological applications. The screening of novel molecular structures has been so far pursued by calculation of intrinsic properties with first-principle methods. Still, the use of intrinsic properties as scoring functions may not always be optimal for systems of high complexity. In these cases, increasingly detailed and realistic simulations that take into account the interaction with the surrounding molecules are of crucial importance. In this paper, we present an effective way to screen different solvents with respect to their chemical stability versus Li2O2 solid particles. To achieve this, the minimum energy paths for different types of reactions of a series of aprotic solvents (acetonitrile and pivalonitrile, dimethyl sulphoxide, N-methyl-2-pyrrolidone and some of its derivatives, penta ethylene glycol (PEG-5) and a fluorinated derivative) with solid Li2O2 are computed and reported. From these data, we can extract the reaction energy barriers, which compare extremely well with the available experimental data and offer a convenient way for screening and designing suitable solvents for Li-air batteries from first-principle calculations.

  20. Comparison of enzymatic reactivity of corn stover solids prepared by dilute acid, AFEX™, and ionic liquid pretreatments

    PubMed Central

    2014-01-01

    Background Pretreatment is essential to realize high product yields from biological conversion of naturally recalcitrant cellulosic biomass, with thermochemical pretreatments often favored for cost and performance. In this study, enzymatic digestion of solids from dilute sulfuric acid (DA), ammonia fiber expansion (AFEX™), and ionic liquid (IL) thermochemical pretreatments of corn stover were followed over time for the same range of total enzyme protein loadings to provide comparative data on glucose and xylose yields of monomers and oligomers from the pretreated solids. The composition of pretreated solids and enzyme adsorption on each substrate were also measured to determine. The extent glucose release could be related to these features. Results Corn stover solids from pretreatment by DA, AFEX, and IL were enzymatically digested over a range of low to moderate loadings of commercial cellulase, xylanase, and pectinase enzyme mixtures, the proportions of which had been previously optimized for each pretreatment. Avicel® cellulose, regenerated amorphous cellulose (RAC), and beechwood xylan were also subjected to enzymatic hydrolysis as controls. Yields of glucose and xylose and their oligomers were followed for times up to 120 hours, and enzyme adsorption was measured. IL pretreated corn stover displayed the highest initial glucose yields at all enzyme loadings and the highest final yield for a low enzyme loading of 3 mg protein/g glucan in the raw material. However, increasing the enzyme loading to 12 mg/g glucan or more resulted in DA pretreated corn stover attaining the highest longer-term glucose yields. Hydrolyzate from AFEX pretreated corn stover had the highest proportion of xylooligomers, while IL produced the most glucooligomers. However, the amounts of both oligomers dropped with increasing enzyme loadings and hydrolysis times. IL pretreated corn stover had the highest enzyme adsorption capacity. Conclusions Initial hydrolysis yields were highest

  1. Laser-induced fluorescence monitoring of the gas phase in a glow discharge during reactive sputtering of vanadium

    NASA Astrophysics Data System (ADS)

    Khvostikov, V. A.; Grazhulene, S. S.; Burmii, Zh. P.; Marchenko, V. A.

    2011-11-01

    Processes in the gas phase of a glow discharge during diode and magnetron reactive sputtering of vanadium in an Ar-O2 atmosphere have been investigated by laser-induced fluorescence (LIF) as a function of the parameters of the glow discharge and the composition of the atmosphere. The intensity of the fluorescence spectra increased by 1.5-2.0 orders of magnitude in the magnetron sputtering process compared with that of diode sputtering. Under continuous sputtering conditions, the dependences of the intensities and relative compositions of the fluorescence spectra on the discharge parameters (discharge voltage and current) have been investigated. In pulsed mode of the glow discharge, the dynamics of changes in the spectra have been studied versus variations in the discharge duration and the lag time for recording the fluorescence signal. The dependence of the spectral line intensities on the partial pressure of oxygen has been found for vanadium and its oxide. The cathode surface at pressures of 0.03-0.04 Pa was shown to convert to the oxidized state.

  2. CH4 activation by W atom in the gas phase: a case of two-state reactivity process.

    PubMed

    Wang, YongCheng; Wang, Qiang; Geng, ZhiYuan; Lv, LingLing; Si, YuBing; Wang, QingYun; Liu, HuiWen; Cui, DanDan

    2009-12-10

    Gas-phase methane activation by tungsten (W) atoms was studied at the density functional level of theory using the hybrid exchange correlation functional B3LYP. Four reaction profiles corresponding to the septet, quintet, triplet, and singlet multiplicities were investigated in order to ascertain the presence of some spin inversion during the methane activation. Methane activation mediated by W atoms was found to be a spin-forbidden process resulting from the crossing among the multistate energetic profiles. On the basis of the Hammond postulate, this is a typical two-state reactivity (TSR) reaction. The minimum energy crossing points lead to decrease in the barrier heights of TS01, TS12, TS23, and TS24 that correspond to the first, second, and third hydrogen transfer and the reductive elimination step of H(2), respectively. The spin-orbit coupling is calculated between electronic states of different multiplicities at the crossing points (MECPs) to estimate the intersystem crossing probabilities, and the probability of hopping from one surface to the other in the vicinity of the crossing region is calculated by the Landau-Zener type model. PMID:19860463

  3. Greenhouse gas emission mitigation relevant to changes in municipal solid waste management system.

    PubMed

    Pikoń, Krzysztof; Gaska, Krzysztof

    2010-07-01

    Standard methods for assessing the environmental impact of waste management systems are needed to underpin the development and implementation of sustainable waste management practice. Life cycle assessment (LCA) is a tool for comprehensively ensuring such assessment and covers all impacts associated with waste management. LCA is often called "from cradle to grave" analysis. This paper integrates information on the greenhouse gas (GHG) implications of various management options for some of the most common materials in municipal solid waste (MSW). Different waste treatment options for MSW were studied in a system analysis. Different combinations of recycling (cardboard, plastics, glass, metals), biological treatment (composting), and incineration as well as land-filling were studied. The index of environmental burden in the global warming impact category was calculated. The calculations are based on LCA methodology. All emissions taking place in the whole life cycle system were taken into account. The analysis included "own emissions," or emissions from the system at all stages of the life cycle, and "linked emissions," or emissions from other sources linked with the system in an indirect way. Avoided emissions caused by recycling and energy recovery were included in the analysis. Displaced emissions of GHGs originate from the substitution of energy or materials derived from waste for alternative sources. The complex analysis of the environmental impact of municipal waste management systems before and after application of changes in MSW systems according to European Union regulations is presented in this paper. The evaluation is made for MSW systems in Poland. PMID:20681425

  4. Heat removal from high temperature tubular solid oxide fuel cells utilizing product gas from coal gasifiers.

    SciTech Connect

    Parkinson, W. J. ,

    2003-01-01

    In this work we describe the results of a computer study used to investigate the practicality of several heat exchanger configurations that could be used to extract heat from tubular solid oxide fuel cells (SOFCs) . Two SOFC feed gas compositions were used in this study. They represent product gases from two different coal gasifier designs from the Zero Emission Coal study at Los Alamos National Laboratory . Both plant designs rely on the efficient use of the heat produced by the SOFCs . Both feed streams are relatively rich in hydrogen with a very small hydrocarbon content . One feed stream has a significant carbon monoxide content with a bit less hydrogen . Since neither stream has a significant hydrocarbon content, the common use of the endothermic reforming reaction to reduce the process heat is not possible for these feed streams . The process, the method, the computer code, and the results are presented as well as a discussion of the pros and cons of each configuration for each process .

  5. Greenhouse gas mitigation-induced rough-interval programming for municipal solid waste management.

    PubMed

    Lu, Hongwei; Huang, Guohe; Liu, Zhenfang; He, Li

    2008-12-01

    A greenhouse gas (GHG) mitigation-induced rough-interval programming model is proposed in this study. Components of GHG emission and environmental pollution control are incorporated into the objective function and a series of relevant constraints. To explicitly examine more complexities existing in many parameters, rough intervals are also communicated into the modeling framework. The proposed model presents satisfactory capabilities in analyzing complicated interrelationships among municipal solid waste (MSW) management, climate-change impact, and environmental pollution control. It can also provide optimal allocation schemes and facilitate decision-makers regulating environmentally sustainable strategies. The developed model is then applied to a case study for demonstrating its applicability. Two representative scenarios (relatively representing two potential management policies that may be implemented in the future years) are considered. The results indicate that the developed model presents advantages in mitigating GHG emissions and the associated climate-change impact. The comparison between the GHG mitigation-induced model with and without rough-interval parameters is also investigated. Completely different solutions of the two models imply the significant impact of dual-uncertain information on the system, which can hardly be addressed through the existing optimization approaches. PMID:19189753

  6. Solid-phase microextraction gas chromatography-mass spectrometry determination of fragrance allergens in baby bathwater.

    PubMed

    Lamas, J Pablo; Sanchez-Prado, Lucia; Garcia-Jares, Carmen; Llompart, Maria

    2009-07-01

    A method based on solid-phase microextraction (SPME) and gas chromatography-mass spectrometry (GC-MS) has been optimized for the determination of fragrance allergens in water samples. This is the first study devoted to this family of cosmetic ingredients performed by SPME. The influence of parameters such as fibre coating, extraction and desorption temperatures, salting-out effect and sampling mode on the extraction efficiency has been studied by means of a mixed-level factorial design, which allowed the study of the main effects as well as two-factor interactions. Excluding desorption temperature, the other parameters were, in general, very important for the achievement of high response. The final procedure was based on headspace sampling at 100 degrees C, using polydimethylsiloxane/divinylbenzene fibres. The method showed good linearity and precision for all compounds, with detection limits ranging from 0.001 to 0.3 ng mL(-1). Reliability was demonstrated through the evaluation of the recoveries in different real water samples, including baby bathwater and swimming pool water. The absence of matrix effects allowed the use of external standard calibration to quantify the target compounds in the samples. The proposed procedure was applied to the determination of allergens in several real samples. All the target compounds were found in the samples, and, in some cases, at quite high concentrations. The presence and the levels of these chemicals in baby bathwater should be a matter of concern. PMID:19458938

  7. Real time mass flux measurements of gas-solid suspensions at low velocities

    SciTech Connect

    Saunders, J H; Chao, B T; Soo, S L

    1981-01-01

    In previous work, measurement of the particulate mass flux was made based upon a novel electrostatic technique. A small conducting wire sensor was inserted in the flow and as each particle hit the sensor an individual pulse of current was identified. Through suitable electronic circuitry, the number of pulses in a given time were counted. This was a direct measure of the number of particle-probe collisions which was related to local particle mass flow. The technique is currently limited to monodisperse suspensions. A primary advantage of the impact counter system is that the output does not depend upon the magnitude of the actual charge transfer. As long as the pulses are sufficiently above the noise level, variations in charge transfer will not affect the measurement. For the current work, the technique was applied to vertical gas-solid flow where the fluid velocity was slightly above the particle terminal velocity. Under these conditions a sufficient signal to noise ratio was not found. The Cheng-Soo charge transfer theory indicated that the low particle-sensor impact velocity was responsible. The probe system was then modified by extracting a particulate sample isokinetically and accelerating the particles to a sufficient velocity by an area reduction in the sampling tube. With this technique the signal to noise ratio was about 12 to 1. Mass flux results are shown to compare favorably with filter collection and weighing.

  8. Durable solid lubricant coatings for foil gas bearings to 315 deg C

    NASA Technical Reports Server (NTRS)

    Wagner, R. C.; Sliney, H. E.

    1984-01-01

    The durability and friction characteristics of bonded solid lubricant films on compliant gas bearings were measured. Coating compositions, which were judged to be suitable for use to at least 315 C, were selected for this study. Most of the data were obtained with polyimide-bonded graphite fluoride coatings and with silicate-bonded graphite coatings. These coatings were applied to the bore of Inconel 750 foil bearings. The journals were A286 stainless steel, with a rms surface finish of 0.2 microns. The foils were subjected to repeated start/stop cycles under a 14 kPa (2 psi) bearing unit load. Sliding contact occurred during lift-off and coast down at surface velocities less than 6 m/s (3000 rpm). Testing continued until 9000 cycles were accumulated or until a rise in starting torque indicated that the coating had failed. The coatings were evaluated in the temperature range from 25 C to 315 C. Comparisons in coating performance as well as discussions of their properties and methods of application are given.

  9. Numerical simulation of gas-solid two-phase flow in U-beam separator

    NASA Astrophysics Data System (ADS)

    Zhou, X. Y.; Zhang, H. Z.; Chen, X. P.; Ruan, J. M.; Dou, H. S.

    2015-01-01

    Numerical simulation is carried out for gas-solid two-phase flow in a U-beam separator. In this study, the U-beam is altered with the inlet fins in order to improve the performance of the separator. The inlet fin angle of the separator are 30°, 35°, 40°, 45°, 50°, 55 ° and 60°. The governing equations are the Reynolds-Averaged Navier-Stokes equation with the standard k-epsilon model and the discrete phase model (DPM) describing the discrete two - phase flow as well as stochastic tracking model. Results show that the pressure drop deviation with fins is within 3% from those without fins. It is found that there is a maximum separation efficiency at the fin angle of 35°. Fin induces generation of a stagnation region which could collect particles and lead to change of vortical structures. The fin induced flow also causes the turbulent intensity inside the baffle to decrease to facilitate separation.

  10. Nonlocal van der Waals functionals: The case of rare-gas dimers and solids

    NASA Astrophysics Data System (ADS)

    Tran, Fabien; Hutter, Jürg

    2013-05-01

    Recently, the nonlocal van der Waals (vdW) density functionals [M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004), 10.1103/PhysRevLett.92.246401] have attracted considerable attention due to their good performance for systems where weak interactions are important. Since the physics of dispersion is included in these functionals, they are usually more accurate and show less erratic behavior than the semilocal and hybrid methods. In this work, several variants of the vdW functionals have been tested on rare-gas dimers (from He2 to Kr2) and solids (Ne, Ar, and Kr) and their accuracy compared to standard semilocal approximations, supplemented or not by an atom-pairwise dispersion correction [S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010), 10.1063/1.3382344]. An analysis of the results in terms of energy decomposition is also provided.

  11. Characterisation of whiskeys using solid-phase microextraction with gas chromatography-mass spectrometry.

    PubMed

    Fitzgerald, G; James, K J; MacNamara, K; Stack, M A

    2000-10-27

    The application of solid-phase microextraction and gas chromatography-mass spectrometry to the detection of flavour volatiles present in Irish and Scottish whiskeys was investigated. A method was developed to characterise these volatiles which included the extraction, identification and quantification of 17 congeners which included fusel alcohols, acetates and esters. The method validation produced the optimum fibre [85 microm poly(acrylate)], extraction time (35 min), sample volume size (3 ml) and desorption time (5 min). The impact of salt on the absorption process was also studied. Characteristic profiles were determined for each whiskey and the flavour congeners were quantified using 4-methyl-2-pentanol as the internal standard. Calibration ranges were determined for each of the congeners with coefficients of linearity ranging from 0.993 (butan-1-ol) to 0.999 (ethyl laurate) and relative standard deviations ranging from 2.5% (2-methylbutan-1-ol) to 21% (furfural) at a concentration of 18.2 mg/l. Detection limits ranged from 0.1 mg/l (ethyl caprate) to 21 mg/l (butan-2-ol). PMID:11093670

  12. Purification of melanoma reactive T cell by using a monocyte-based solid phase T-cell selection system for adoptive therapy.

    PubMed

    Li, Jongming; Mookerjee, Bijoyesh; Wagner, John

    2008-01-01

    The generation of melanoma-reactive T cells with the characteristics necessary for in vivo effectiveness remains a considerable obstacle to the application of adoptive cell therapy. Recent clinical success with adoptive cell therapy for melanoma is motivating additional investigation to improve the technology of generating such tumor reactive lymphocytes. Here we describe a novel solid phase T-cell selection system, in which monocytes are immobilized on solid support for antigen-specific T-cell purification. We hypothesized and proved that antigen-specific T cells recognize their cognate antigens and bind to them faster than nonantigen-specific T cells and are concentrated on the surface after removing the nonadherent cells by washing. Moreover, activated antigen-specific T cells proliferated more rapidly than nonspecific T cells, further increasing the frequency and purity of antigen-specific T cells. Optimal selection times for Melan-A-specific T cells are studied. Our data demonstrated that T-cell selection can usually increase the frequency of tumor antigen-specific T cells by >10-fold, whereas T-cell expansion after the selection boost the frequency of tumor antigen-specific T cells by another approximately 10-fold. More importantly, these T cells are generated under more physiologic conditions. This new T-cell selection system is superior to traditional repeated stimulation methods in generating tumor antigen-specific T cells for adoptive cell immunotherapy. This inexpensive and simple T-cell selection system can produce large quantity of highly purified Melan-A-specific T cells within 2 weeks after T-cell activation. PMID:18157015

  13. Kinetics of gas-to-liquid and liquid-to-solid transfer of particles in metal-matrix composites

    NASA Technical Reports Server (NTRS)

    Stefanescu, D. M.; Rana, F.; Moitra, A.; Kacar, S.

    1990-01-01

    Analytical models for transfer of particles from gas to liquid and from liquid to solid are introduced. The model for calculation of the pushing/engulfment transition in directionally solidified particulate metal matrix composites, considers process thermodynamics, process kinetics, thermophysical properties and buoyant forces. Based on processing variables (solidification velocity and direction) and on material variables (interface energies, particle size, particle and liquid density, volume fraction of particles and particle/liquid thermal conductivity ratio) four types of behavior were predicted. Also, two numerical models for liquid-to-solid transfer are discussed, as well as the limitations of presently available models.

  14. Afterburner for combustion of starved-air combustor fuel gas containing suspended solid fuel and fly ash

    SciTech Connect

    Fitch, R.E.; Tucker, G.H.

    1982-06-01

    An afterburner for use as a secondary combustion chamber in a starved-air combustor system to further combust any combustible material in the combustion gas and entrained solid particle material discharge from the combustion chamber of the starved-air combustor system. The afterburner is lined with refractory and includes a diverter plate positioned transversely to the incoming flow of combustion gases. The afterburner is divided into a plurality of reaction zones, each of which has an associated reaction air supply. The diverter plate imparts a cyclonic flow to the combustion gas which is enhanced by air injected in the combustion zones. The temperature of the gas discharged from the afterburner is monitored and the flow of reaction air controlled responsive to changes in discharge gas temperature from a predetermined temperature.

  15. Setup for in situ investigation of gases and gas/solid interfaces by soft x-ray emission and absorption spectroscopy.

    PubMed

    Benkert, A; Blum, M; Meyer, F; Wilks, R G; Yang, W; Bär, M; Reinert, F; Heske, C; Weinhardt, L

    2014-01-01

    We present a novel gas cell designed to study the electronic structure of gases and gas/solid interfaces using soft x-ray emission and absorption spectroscopies. In this cell, the sample gas is separated from the vacuum of the analysis chamber by a thin window membrane, allowing in situ measurements under atmospheric pressure. The temperature of the gas can be regulated from room temperature up to approximately 600 °C. To avoid beam damage, a constant mass flow can be maintained to continuously refresh the gaseous sample. Furthermore, the gas cell provides space for solid-state samples, allowing to study the gas/solid interface for surface catalytic reactions at elevated temperatures. To demonstrate the capabilities of the cell, we have investigated a TiO2 sample behind a mixture of N2 and He gas at atmospheric pressure. PMID:24517824

  16. Setup for in situ investigation of gases and gas/solid interfaces by soft x-ray emission and absorption spectroscopy

    SciTech Connect

    Benkert, A. E-mail: l.weinhardt@kit.edu; Blum, M.; Meyer, F.; Wilks, R. G.; Yang, W.; Bär, M.; and others

    2014-01-15

    We present a novel gas cell designed to study the electronic structure of gases and gas/solid interfaces using soft x-ray emission and absorption spectroscopies. In this cell, the sample gas is separated from the vacuum of the analysis chamber by a thin window membrane, allowing in situ measurements under atmospheric pressure. The temperature of the gas can be regulated from room temperature up to approximately 600 °C. To avoid beam damage, a constant mass flow can be maintained to continuously refresh the gaseous sample. Furthermore, the gas cell provides space for solid-state samples, allowing to study the gas/solid interface for surface catalytic reactions at elevated temperatures. To demonstrate the capabilities of the cell, we have investigated a TiO{sub 2} sample behind a mixture of N{sub 2} and He gas at atmospheric pressure.

  17. The ratio of solid to gas phase CO in the line of sight to W33A

    NASA Technical Reports Server (NTRS)

    Mitchell, George F.; Allen, Mark; Maillard, Jean-Pierre

    1988-01-01

    Spectroscopic observations of the IR source W33A, obtained in the M band (4.6 microns) at resolution 0.057/cm using the Fourier-transform spectrometer at the Cassegrain focus of the Canada-France-Hawaii Telescope on July 12-13, 1987, are reported. The spectrum is shown, and equivalent widths and CO column densities are presented in tables. The absorption lines detected indicate the presence of gas at both 23 and 120 K, attributed to the molecular-cloud core and gas near the source, respectively, but very little solid-phase CO.

  18. A system using solid ceramic oxygen electrolyte cells to measure oxygen fugacities in gas-mixing systems

    NASA Technical Reports Server (NTRS)

    Williams, R. J.; Mullins, O.

    1976-01-01

    Details are given for the construction and operation of a 101.3 kN/sq m (1 atmosphere) redox control system. A solid ceramic oxygen electrolyte cell is used to monitor the oxygen fugacity in the furnace. The system consists of a vertical quench, gas mixing furnace with heads designed for mounting the electrolyte cell and with facilities for inserting and removing the samples. The system also contains the high input impedance electronics necessary for measurements, a simplified version of a gas mixing apparatus, and devices for experiments under controlled rates of change relative to temperature and redox state. The calibration and maintenance of the system are discussed.

  19. JSC systems using solid ceramic oxygen electrolyte cells to measure oxygen fugacites in gas-mixing systems

    NASA Technical Reports Server (NTRS)

    Williams, R. J.; Mullins, O.

    1981-01-01

    Details are given for the construction and operation of a 101.3 KN/sq meter (1 atmosphere) redox control system. A solid ceramic oxygen electrolyte cell is used to monitor the oxygen fugacity in the furnace. The system consists of a vertical quench gas mixing furnace with heads designed for mounting the electrolyte cell and with facilities for inserting and removing the samples, a simplified version of a gas mixing apparatus, and devices for experiments under controlled rates of change of temperature. A thermogravimetric analysis system employing these techniques of redox control and measurement is also described. The calibration and maintenance of the system are discussed.

  20. Development of a Solid-Oxide Fuel Cell/Gas Turbine Hybrid System Model for Aerospace Applications

    NASA Technical Reports Server (NTRS)

    Freeh, Joshua E.; Pratt, Joseph W.; Brouwer, Jacob

    2004-01-01

    Recent interest in fuel cell-gas turbine hybrid applications for the aerospace industry has led to the need for accurate computer simulation models to aid in system design and performance evaluation. To meet this requirement, solid oxide fuel cell (SOFC) and fuel processor models have been developed and incorporated into the Numerical Propulsion Systems Simulation (NPSS) software package. The SOFC and reformer models solve systems of equations governing steady-state performance using common theoretical and semi-empirical terms. An example hybrid configuration is presented that demonstrates the new capability as well as the interaction with pre-existing gas turbine and heat exchanger models. Finally, a comparison of calculated SOFC performance with experimental data is presented to demonstrate model validity. Keywords: Solid Oxide Fuel Cell, Reformer, System Model, Aerospace, Hybrid System, NPSS

  1. Modeling of gas turbine - solid oxide fuel cell systems for combined propulsion and power on aircraft

    NASA Astrophysics Data System (ADS)

    Waters, Daniel Francis

    This dissertation investigates the use of gas turbine (GT) engine integrated solid oxide fuel cells (SOFCs) to reduce fuel burn in aircraft with large electrical loads like sensor-laden unmanned air vehicles (UAVs). The concept offers a number of advantages: the GT absorbs many SOFC balance of plant functions (supplying fuel, air, and heat to the fuel cell) thereby reducing the number of components in the system; the GT supplies fuel and pressurized air that significantly increases SOFC performance; heat and unreacted fuel from the SOFC are recaptured by the GT cycle offsetting system-level losses; good transient response of the GT cycle compensates for poor transient response of the SOFC. The net result is a system that can supply more electrical power more efficiently than comparable engine-generator systems with only modest (<10%) decrease in power density. Thermodynamic models of SOFCs, catalytic partial oxidation (CPOx) reactors, and three GT engine types (turbojet, combined exhaust turbofan, separate exhaust turbofan) are developed that account for equilibrium gas phase and electrochemical reaction, pressure losses, and heat losses in ways that capture `down-the-channel' effects (a level of fidelity necessary for making meaningful performance, mass, and volume estimates). Models are created in a NASA-developed environment called Numerical Propulsion System Simulation (NPSS). A sensitivity analysis identifies important design parameters and translates uncertainties in model parameters into uncertainties in overall performance. GT-SOFC integrations reduce fuel burn 3-4% in 50 kW systems on 35 kN rated engines (all types) with overall uncertainty <1%. Reductions of 15-20% are possible at the 200 kW power level. GT-SOFCs are also able to provide more electric power (factors >3 in some cases) than generator-based systems before encountering turbine inlet temperature limits. Aerodynamic drag effects of engine-airframe integration are by far the most important

  2. Novel studies on the formation and chemical reactivity of compound clusters and their precursors in the gas and liquid phase

    NASA Astrophysics Data System (ADS)

    Bradshaw, James Adam Ferguson

    Presented are four separate and unique studies on molecular and nanoscale systems: Atmospheric hydration and aggregation of NaCl clusters, highly water-soluble aurous-thiolate oligomers, water-soluble gold clusters from aurous-thiolate oligomer precursors, and gold iodide clusters. Adsorption of water on cationic and anionic sodium chloride clusters is investigated to elucidate active sites of molecular interaction as well as primary aggregate formation kinetics. Considered an exceptionally abundant atmospheric species, experiments are conducted to further quantify gas phase chemistry and hydration/solvation of alkali halides. Currently the most soluble of all known gold-thiolates, para-mercaptobenzoic acid-based (pMBA) aurous-thiolate oligomers are investigated and physical and chemical properties quantified. Solubility, structural conformation, and poly-dispersity of higher homologs are observed with the goal of further applications in clusters research, medical and biomedical, and industry. Gold thiolate clusters, synthesized using pMBA-based oligomers, are investigated through reductive formation in solution. UV-VIS and UV-VIS-NIR spectroscopy is undertaken to assign structures based on predictions of the HOMO-LUMO gap and other electronic transitions. Gold iodide is investigated in relation to the common thiolate-halide analogy. Synthesis and characterization of a solid precursor as well as anion and cation cluster formation is presented as part of an ongoing collaboration.

  3. CO{sub 2} Capture from Flue Gas Using Solid Molecular Basket Sorbents

    SciTech Connect

    Fillerup, Eric; Zhang, Zhonghua; Peduzzi, Emanuela; Wang, Dongxiang; Guo, Jiahua; Ma, Xiaoliang; Wang, Xiaoxing; Song, Chunshan

    2012-08-31

    The objective of this project is to develop a new generation of solid, regenerable polymeric molecular basket sorbent (MBS) for more cost-efficient capture and separation of CO{sub 2} from flue gas of coal-fired power plants. The primary goal is to develop a cost-effective MBS sorbent with better thermal stability. To improve the cost-effectiveness of MBS, we have explored commercially available and inexpensive support to replace the more expensive mesoporous molecular sieves like MCM-41 and SBA- 15. In addition, we have developed some advanced sorbent materials with 3D pore structure such as hexagonal mesoporous silica (HMS) to improve the CO{sub 2} working capacity of MBS, which can also reduce the cost for the whole CO{sub 2} capture process. During the project duration, the concern regarding the desorption rate of MBS sorbents has been raised, because lower desorption rate increases the desorption time for complete regeneration of the sorbent which in turn leads to a lower working capacity if the regeneration time is limited. Thus, the improvement in the thermal stability of MBS became a vital task for later part of this project. The improvement in the thermal stability was performed via increasing the polymer density either using higher molecular weight PEI or PEI cross-linking with an organic compound. Moreover, we have used the computational approach to estimate the interaction of CO{sub 2} with different MBSs for the fundamental understanding of CO{sub 2} sorption, which may benefit the development, design and modification of the sorbents and the process.

  4. Solid-Core, Gas-Cooled Reactor for Space and Surface Power

    SciTech Connect

    King, Jeffrey C.; El-Genk, Mohamed S.

    2006-01-20

    The solid-core, gas-cooled, Submersion-Subcritical Safe Space (S and 4) reactor is developed for future space power applications and avoidance of single point failures. The Mo-14%Re reactor core is loaded with uranium nitride fuel in enclosed cavities, cooled by He-30%Xe, and sized to provide 550 kWth for seven years of equivalent full power operation. The beryllium oxide reflector disassembles upon impact on water or soil. In addition to decreasing the reactor and shadow shield mass, Spectral Shift Absorber (SSA) materials added to the reactor core ensure that it remains subcritical in the worst-case submersion accident. With a 0.1 mm thick boron carbide coating on the outside surface of the core block and 0.25 mm thick iridium sleeves around the fuel stacks, the reflector outer diameter is 43.5 cm and the combined reactor and shadow shield mass is 935.1 kg. With 12.5 atom% gadolinium-155 added to the fuel, 2.0 mm diameter gadolinium-155 sesquioxide intersititial pins, and a 0.1 mm thick gadolinium-155 sesquioxide coating, the S and 4 reactor has a slightly smaller reflector outer diameter of 43.0 cm, and a total reactor and shield mass of 901.7 kg. With 8.0 atom% europium-151 added to the fuel, 2.0 mm diameter europium-151 sesquioxide interstitial pins, and a 0.1 mm thick europium-151 sesquioxide coating, the reflector's outer diameter and the total reactor and shield mass are further reduced to 41.5 cm and 869.2 kg, respect0011ive.

  5. Development of modified flyash as a permeable reactive barrier medium for a former manufactured gas plant site, Northern Ireland

    NASA Astrophysics Data System (ADS)

    Doherty, R.; Phillips, D. H.; McGeough, K. L.; Walsh, K. P.; Kalin, R. M.

    2006-05-01

    A sequential biological permeable reactive barrier (PRB) was determined to be the best option for remediating groundwater that has become contaminated with a wide range of organic contaminants (i.e., benzene, toluene, ethylbenzene, xylene and polyaromatic hydrocarbons), heavy metals (i.e., lead and arsenic), and cyanide at a former manufactured gas plant after 150 years of operation in Portadown, Northern Ireland. The objective of this study was to develop a modified flyash that could be used in the initial cell within a sequential biological PRB to filter complex contaminated groundwater containing ammonium. Flyash modified with lime (CaOH) and alum was subjected to a series of batch tests which investigated the modified cation exchange capacity (CEC) and rate of removal of anions and cations from the solution. These tests showed that a high flyash composition medium (80%) could remove 8.65 mol of ammonium contaminant for every kilogram of medium. The modified CEC procedure ruled out the possibility of cation exchange as the major removal mechanism. The medium could also adsorb anions as well as cations (i.e., Pb and Cr), but not with the same capacity. The initial mechanism for Pb and Cr removal is probably precipitation. This is followed by sorption, which is possibly the only mechanism for the removal of dichromate anions. Scanning electron microscopic analysis revealed very small (<1 μm) cubic highly crystalline precipitates on the flyash, although this new crystalline zeolite growth did not occur rapidly enough to enable productive zeolite formation. Surface area measurements showed that biofilm growth on the medium could be a major factor in the comparative reduction of surface area between real and synthetic contaminant groundwaters. The modified flyash was found to be a highly sorptive granular material that did not inhibit microbiological activity, however, leaching tests revealed that the medium would fail as a long-term barrier material.

  6. Land, irrigation water, greenhouse gas, and reactive nitrogen burdens of meat, eggs, and dairy production in the United States.

    PubMed

    Eshel, Gidon; Shepon, Alon; Makov, Tamar; Milo, Ron

    2014-08-19

    Livestock production impacts air and water quality, ocean health, and greenhouse gas (GHG) emissions on regional to global scales and it is the largest use of land globally. Quantifying the environmental impacts of the various livestock categories, mostly arising from feed production, is thus a grand challenge of sustainability science. Here, we quantify land, irrigation water, and reactive nitrogen (Nr) impacts due to feed production, and recast published full life cycle GHG emission estimates, for each of the major animal-based categories in the US diet. Our calculations reveal that the environmental costs per consumed calorie of dairy, poultry, pork, and eggs are mutually comparable (to within a factor of 2), but strikingly lower than the impacts of beef. Beef production requires 28, 11, 5, and 6 times more land, irrigation water, GHG, and Nr, respectively, than the average of the other livestock categories. Preliminary analysis of three staple plant foods shows two- to sixfold lower land, GHG, and Nr requirements than those of the nonbeef animal-derived calories, whereas irrigation requirements are comparable. Our analysis is based on the best data currently available, but follow-up studies are necessary to improve parameter estimates and fill remaining knowledge gaps. Data imperfections notwithstanding, the key conclusion--that beef production demands about 1 order of magnitude more resources than alternative livestock categories--is robust under existing uncertainties. The study thus elucidates the multiple environmental benefits of potential, easy-to-implement dietary changes, and highlights the uniquely high resource demands of beef. PMID:25049416

  7. Land, irrigation water, greenhouse gas, and reactive nitrogen burdens of meat, eggs, and dairy production in the United States

    PubMed Central

    Eshel, Gidon; Shepon, Alon; Makov, Tamar; Milo, Ron

    2014-01-01

    Livestock production impacts air and water quality, ocean health, and greenhouse gas (GHG) emissions on regional to global scales and it is the largest use of land globally. Quantifying the environmental impacts of the various livestock categories, mostly arising from feed production, is thus a grand challenge of sustainability science. Here, we quantify land, irrigation water, and reactive nitrogen (Nr) impacts due to feed production, and recast published full life cycle GHG emission estimates, for each of the major animal-based categories in the US diet. Our calculations reveal that the environmental costs per consumed calorie of dairy, poultry, pork, and eggs are mutually comparable (to within a factor of 2), but strikingly lower than the impacts of beef. Beef production requires 28, 11, 5, and 6 times more land, irrigation water, GHG, and Nr, respectively, than the average of the other livestock categories. Preliminary analysis of three staple plant foods shows two- to sixfold lower land, GHG, and Nr requirements than those of the nonbeef animal-derived calories, whereas irrigation requirements are comparable. Our analysis is based on the best data currently available, but follow-up studies are necessary to improve parameter estimates and fill remaining knowledge gaps. Data imperfections notwithstanding, the key conclusion—that beef production demands about 1 order of magnitude more resources than alternative livestock categories—is robust under existing uncertainties. The study thus elucidates the multiple environmental benefits of potential, easy-to-implement dietary changes, and highlights the uniquely high resource demands of beef. PMID:25049416

  8. Laser-induced carbon plasma emission spectroscopic measurements on solid targets and in gas-phase optical breakdown

    SciTech Connect

    Nemes, Laszlo; Keszler, Anna M.; Hornkohl, James O.; Parigger, Christian

    2005-06-20

    We report measurements of time- and spatially averaged spontaneous-emission spectra following laser-induced breakdown on a solid graphite/ambient gas interface and on solid graphite in vacuum, and also emission spectra from gas-phase optical breakdown in allene C3H4 and helium, and in CO2 and helium mixtures. These emission spectra were dominated by CII (singly ionized carbon), CIII (doubly ionized carbon), hydrogen Balmer beta (H{sub b}eta), and Swan C2 band features. Using the local thermodynamic equilibrium and thin plasma assumptions, we derived electron number density and electron temperature estimates. The former was in the 1016 cm{sup -3} range, while the latter was found to be near 20000 K. In addition, the vibration-rotation temperature of the Swan bands of the C2 radical was determined to be between 4500 and 7000 K, using an exact theoretical model for simulating diatomic emission spectra. This temperature range is probably caused by the spatial inhomogeneity of the laser-induced plasma plume. Differences are pointed out in the role of ambient CO2 in a solid graphite target and in gas-phase breakdown plasma.

  9. A Reversible Planar Solid Oxide Fuel-Fed Electrolysis Cell and Solid Oxide Fuel Cell for Hydrogen and Electricity Production Operating on Natural Gas/Biomass Fuels

    SciTech Connect

    Tao, Greg, G.

    2007-03-31

    A solid oxide fuel-assisted electrolysis technique was developed to co-generate hydrogen and electricity directly from a fuel at a reduced cost of electricity. Solid oxide fuel-assisted electrolysis cells (SOFECs), which were comprised of 8YSZ electrolytes sandwiched between thick anode supports and thin cathodes, were constructed and experimentally evaluated at various operation conditions on lab-level button cells with 2 cm2 per-cell active areas as well as on bench-scale stacks with 30 cm2 and 100 cm2 per-cell active areas. To reduce the concentration overpotentials, pore former systems were developed and engineered to optimize the microstructure and morphology of the Ni+8YSZ-based anodes. Chemically stable cathode materials, which possess good electronic and ionic conductivity and exhibit good electrocatalytic properties in both oxidizing and reducing gas atmospheres, were developed and materials properties were investigated. In order to increase the specific hydrogen production rate and thereby reduce the system volume and capital cost for commercial applications, a hybrid system that integrates the technologies of the SOFEC and the solid-oxide fuel cell (SOFC), was developed and successfully demonstrated at a 1kW scale, co-generating hydrogen and electricity directly from chemical fuels.

  10. System for reactivating catalysts

    SciTech Connect

    Ginosar, Daniel M.; Thompson, David N.; Anderson, Raymond P.

    2010-03-02

    A method of reactivating a catalyst, such as a solid catalyst or a liquid catalyst is provided. The method comprises providing a catalyst that is at least partially deactivated by fouling agents. The catalyst is contacted with a fluid reactivating agent that is at or above a critical point of the fluid reactivating agent and is of sufficient density to dissolve impurities. The fluid reactivating agent reacts with at least one fouling agent, releasing the at least one fouling agent from the catalyst. The at least one fouling agent becomes dissolved in the fluid reactivating agent and is subsequently separated or removed from the fluid reactivating agent so that the fluid reactivating agent may be reused. A system for reactivating a catalyst is also disclosed.

  11. Improving the chemical compatibility of sealing glass for solid oxide fuel cells: Blocking the reactive species by controlled crystallization

    NASA Astrophysics Data System (ADS)

    Zhang, Teng; Zou, Qi; Zeng, Fanrong; Wang, Shaorong; Tang, Dian; Yang, Hiswen

    2012-10-01

    The chemical compatibility of sealing glass is of great importance for Solid oxide fuel cell (SOFC). In this work, the interfacial reaction between sealing glass and Cr-containing interconnect alloy is characterized by reacting Cr2O3 powders with a representative SrO-containing glass crystallized by different heat-treatment schedules. The crystalline structure and crystalline content of sealing glass are determined by X-ray diffraction. The results show that the fraction of Cr6+ decreases from 39.8 ± 1.9% for quenched glass to 8.2 ± 0.4% for glass crystallized at 900 °C for 2 h. In addition, the interfacial reaction can be further reduced with increasing crystallization temperature and time as well as the addition of nucleation agent (TiO2). The formation of some Sr-containing crystalline phases, Sr2SiO4 and Sr(TiO3), contributes to the improvement of chemical compatibility of sealing glass, in agreement with the results of thermodynamic calculations.

  12. Stack configurations for tubular solid oxide fuel cells

    SciTech Connect

    Armstrong, Timothy R.; Trammell, Michael P.; Marasco, Joseph A.

    2010-08-31

    A fuel cell unit includes an array of solid oxide fuel cell tubes having porous metallic exterior surfaces, interior fuel cell layers, and interior surfaces, each of the tubes having at least one open end; and, at least one header in operable communication with the array of solid oxide fuel cell tubes for directing a first reactive gas into contact with the porous metallic exterior surfaces and for directing a second reactive gas into contact with the interior surfaces, the header further including at least one busbar disposed in electrical contact with at least one surface selected from the group consisting of the porous metallic exterior surfaces and the interior surfaces.

  13. Thermo-economic modeling of an indirectly coupled solid oxide fuel cell/gas turbine hybrid power plant

    NASA Astrophysics Data System (ADS)

    Cheddie, Denver F.; Murray, Renique

    Power generation using gas turbine (GT) power plants operating on the Brayton cycle suffers from low efficiencies, resulting in poor fuel to power conversion. A solid oxide fuel cell (SOFC) is proposed for integration into a 10 MW gas turbine power plant, operating at 30% efficiency, in order to improve system efficiencies and economics. The SOFC system is indirectly coupled to the gas turbine power plant, paying careful attention to minimize the disruption to the GT operation. A thermo-economic model is developed for the hybrid power plant, and predicts an optimized power output of 20.6 MW at 49.9% efficiency. The model also predicts a break-even per-unit energy cost of USD 4.65 ¢ kWh -1 for the hybrid system based on futuristic mass generation SOFC costs. This shows that SOFCs may be indirectly integrated into existing GT power systems to improve their thermodynamic and economic performance.

  14. Evaluation Of Landfill Gas Decay Constant For Municipal Solid Waste Landfills Operated As Bioreactors

    EPA Science Inventory

    Prediction of the rate of gas production from bioreactor landfills is important to optimize energy recovery and to estimate greenhouse gas emissions. Landfill gas (LFG) composition and flow rate were monitored for four years for a conventional and two bioreactor landfill landfil...

  15. Effects of Gas-Phase Radiation and Detailed Kinetics on the Burning and Extinction of a Solid Fuel

    NASA Technical Reports Server (NTRS)

    Rhatigan, Jennifer L.

    2001-01-01

    This is the first attempt to analyze both radiation and detailed kinetics on the burning and extinction of a solid fuel in a stagnation-point diffusion flame. We present a detailed and comparatively accurate computational model of a solid fuel flame along with a quantitative study of the kinetics mechanism, radiation interactions, and the extinction limits of the flame. A detailed kinetics model for the burning of solid trioxane (a trimer of formaldehyde) is coupled with a narrowband radiation model, with carbon dioxide, carbon monoxide, and water vapor as the gas-phase participating media. The solution of the solid trioxane diffusion flame over the flammable regime is presented in some detail, as this is the first solution of a heterogeneous trioxane flame. We identify high-temperature and low-temperature reaction paths for the heterogeneous trioxane flame. We then compare the adiabatic solution to solutions that include Surface radiation only and gas-phase and surface radiation using a black surface model. The analysis includes discussion of detailed flame chemistry over the flammable regime and, in particular, at the low stretch extinction limit. We emphasize the low stretch regime of the radiatively participating flame, since this is the region representative of microgravity flames. When only surface radiation is included, two extinction limits exist (the blow-off limit, and the low stretch radiative limit), and the burning rate and maximum flame temperatures are lower, as expected. With the inclusion of surface and gas-phase radiation, results show that, while flame temperatures are lower, the burning rate of the trioxane diffusion flame may actually increase at low stretch rate due to radiative feedback from the flame to the surface.

  16. The COSmIC/THS experiment: gas and solid phase studies of Titan aerosol simulants produced at cold temperature

    NASA Astrophysics Data System (ADS)

    Sciamma-OBrien, E. M.; Upton, K.; Beauchamp, J. L.; Salama, F.

    2013-12-01

    In Titan's atmosphere, a complex chemistry between N2 and CH4 occurs at temperatures lower than 200K and leads to the production of heavy molecules and subsequently solid aerosols that form the haze surrounding Titan. The Titan Haze Simulation (THS) experiment has been developed at the NASA Ames COSmIC facility to study Titan's atmospheric chemistry at low temperature, and in particular to study the chemical pathways that link the simple molecules resulting from the first steps of the N2-CH4 chemistry to benzene, and to PAHs and nitrogen-containing PAHs (PANHs), potential precursors to Titan's solid aerosols. In the COSmIC/THS, the chemistry is simulated by plasma in the stream of a supersonic expansion. With this unique design, the gas is jet-cooled to Titan-like temperature (~150K) before inducing the chemistry by plasma, and remains at low temperature in the plasma discharge (~200K measured by optical emission spectroscopy). Different N2-CH4-based gas mixtures can be injected in the plasma, with or without the addition of trace elements present on Titan. Both the gas phase and solid phase products resulting from the plasma-induced chemistry can be monitored and analyzed using a combination of complementary in situ and ex situ diagnostics: Cavity Ring Down Spectroscopy and Time-Of-Flight Mass Spectrometry (TOF-MS) for the gas phase; Direct Analysis in Real Time Mass Spectrometry (DART-MS), Gas Chromatography-Mass Spectrometry (GC-MS), Scanning Electron Microscopy (SEM), Raman spectroscopy, Nuclear Magnetic Resonance (NMR) and Infrared (IR) spectroscopy for the solid phase. Previous TOF-MS mass spectrometry analyses of the gas phase have demonstrated that the COSmIC/THS experiment can be used to study the first and intermediate steps as well as specific chemical pathways of Titan's atmospheric chemistry. The more complex chemistry, observed in the gas phase when adding trace elements to the initial N2-CH4 mixture, has been confirmed by an extensive study of the

  17. EPA Method 525.3 - Determination of Semivolatile Organic Chemicals in Drinking Water by Solid Phase Extraction and Capillary Column Gas Chromatography/Mass Spectrometry (GC/MS)

    EPA Science Inventory

    Method 525.3 is an analytical method that uses solid phase extraction (SPE) and gas chromatography/mass spectrometry (GC/MS) for the identification and quantitation of 125 selected semi-volatile organic chemicals in drinking water.

  18. Method and apparatus for measuring the gas permeability of a solid sample

    DOEpatents

    Carstens, D.H.W.

    1984-01-27

    The disclosure is directed to an apparatus and method for measuring the permeability of a gas in a sample. The gas is allowed to reach a steady flow rate through the sample. A measurable amount of the gas is collected during a given time period and then delivered to a sensitive quadrupole. The quadrupole signal, adjusted for background, is proportional to the amount of gas collected during the time period. The quadrupole can be calibrated with a standard helium leak. The gas can be deuterium and the sample can be polyvinyl alcohol.

  19. Headspace solid-phase microextraction-gas chromatography-mass spectrometry characterization of propolis volatile compounds.

    PubMed

    Pellati, Federica; Prencipe, Francesco Pio; Benvenuti, Stefania

    2013-10-01

    In this study, a novel and efficient method based on headspace solid-phase microextraction (HS-SPME), followed by gas chromatography-mass spectrometry (GC-MS), was developed for the analysis of propolis volatile compounds. The HS-SPME procedure, whose experimental parameters were properly optimized, was carried out using a 100 μm polydimethylsiloxane (PDMS) fiber. The GC-MS analyses were performed on a HP-5 MS cross-linked 5% diphenyl-95% dimethyl polysiloxane capillary column (30 m × 0.25 mm I.D., 1.00 μm film thickness), under programmed-temperature elution. Ninety-nine constituents were identified using this technique in the samples of raw propolis collected from different Italian regions. The main compounds detected include benzoic acid (0.87-30.13%) and its esters, such as benzyl benzoate (0.16-13.05%), benzyl salicylate (0.34-1.90%) and benzyl cinnamate (0.34-3.20%). Vanillin was detected in most of the samples analyzed in this study (0.07-5.44%). Another relevant class of volatile constituents is represented by sesquiterpene hydrocarbons, such as δ-cadinene (1.29-13.31%), γ-cadinene (1.36-8.85%) and α-muurolene (0.78-6.59%), and oxygenated sesquiterpenes, such as β-eudesmol (2.33-12.83%), T-cadinol (2.73-9.95%) and α-cadinol (4.84-9.74%). Regarding monoterpene hydrocarbons, they were found to be present at low level in the samples analyzed in this study, with the exception of one sample from Southern Italy, where α-pinene was the most abundant constituent (13.19%). The results obtained by HS-SPME-GC-MS were also compared with those of hydrodistillation (HD) coupled with GC-MS. The HS-SPME-GC-MS method developed in this study allowed us to determine the chemical fingerprint of propolis volatile constituents, thus providing a new and reliable tool for the complete characterization of this biologically active apiary product. PMID:23807002

  20. The design of stationary and mobile solid oxide fuel cell-gas turbine systems

    NASA Astrophysics Data System (ADS)

    Winkler, Wolfgang; Lorenz, Hagen

    A general thermodynamic model has shown that combined fuel cell cycles may reach an electric-efficiency of more than 80%. This value is one of the targets of the Department of Energy (DOE) solid oxide fuel cell-gas turbine (SOFC-GT) program. The combination of a SOFC and GT connects the air flow of the heat engine and the cell cooling. The principle strategy in order to reach high electrical-efficiencies is to avoid a high excess air for the cell cooling and heat losses. Simple combined SOFC-GT cycles show an efficiency between 60 and 72%. The combination of the SOFC and the GT can be done by using an external cooling or by dividing the stack into multiple sub-stacks with a GT behind each sub-stack as the necessary heat sink. The heat exchangers (HEXs) of a system with an external cooling have the benefit of a pressurization on both sides and therefore, have a high heat exchange coefficient. The pressurization on both sides delivers a low stress to the HEX material. The combination of both principles leads to a reheat (RH)-SOFC-GT cycle that can be improved by a steam turbine (ST) cycle. The first results of a study of such a RH-SOFC-GT-ST cycle indicate that a cycle design with an efficiency of more than 80% is possible and confirm the predictions by the theoretical thermodynamic model mentioned above. The extremely short heat-up time of a thin tubular SOFC and the market entrance of the micro-turbines give the option of using these SOFC-GT designs for mobile applications. The possible use of hydrocarbons such as diesel oil is an important benefit of the SOFC. The micro-turbine and the SOFC stack will be matched depending on the start-up requirements of the mobile system. The minimization of the volume needed is a key issue. The efficiency of small GTs is lower than the efficiency of large GTs due to the influence of the leakage within the stages of GTs increasing with a decreasing size of the GT. Thus, the SOFC module pressure must be lower than in larger

  1. Evaluating of scale-up methodologies of gas-solid spouted beds for coating TRISO nuclear fuel particles using advanced measurement techniques

    NASA Astrophysics Data System (ADS)

    Ali, Neven Y.

    The work focuses on implementing for the first time advanced non-invasive measurement techniques to evaluate the scale-up methodology of gas-solid spouted beds for hydrodynamics similarity that has been reported in the literature based on matching dimensionless groups and the new mechanistic scale up methodology that has been developed in our laboratory based on matching the radial profile of gas holdup since the gas dynamics dictate the hydrodynamics of the gas-solid spouted beds. These techniques are gamma-ray computed tomography (CT) to measure the cross-sectional distribution of the phases' holdups and their radial profiles along the bed height and radioactive particle tracking (RPT) to measure in three-dimension (3D) solids velocity and their turbulent parameters. The measured local parameters and the analysis of the results obtained in this work validate our new methodology of scale up of gas-solid spouted beds by comparing for the similarity the phases' holdups and the dimensionless solids velocities and their turbulent parameters that are non-dimensionalized using the minimum spouting superficial gas velocity. However, the scale-up methodology of gas-solid spouted beds that is based on matching dimensionless groups has not been validated for hydrodynamics similarity with respect to the local parameters such as phases' holdups and dimensionless solids velocities and their turbulent parameters. Unfortunately, this method was validated in the literature by only measuring the global parameters. Thus, this work confirms that validation of the scale-up methods of gas-solid spouted beds for hydrodynamics similarity should reside on measuring and analyzing the local hydrodynamics parameters.

  2. Greenhouse gas emissions and reactive nitrogen releases from rice production with simultaneous incorporation of wheat straw and nitrogen fertilizer

    NASA Astrophysics Data System (ADS)

    Xia, Longlong; Xia, Yongqiu; Ma, Shutan; Wang, Jinyang; Wang, Shuwei; Zhou, Wei; Yan, Xiaoyuan

    2016-08-01

    Impacts of simultaneous inputs of crop straw and nitrogen (N) fertilizer on greenhouse gas (GHG) emissions and N losses from rice production are not well understood. A 2-year field experiment was established in a rice-wheat cropping system in the Taihu Lake region (TLR) of China to evaluate the GHG intensity (GHGI) as well as reactive N intensity (NrI) of rice production with inputs of wheat straw and N fertilizer. The field experiment included five treatments of different N fertilization rates for rice production: 0 (RN0), 120 (RN120), 180 (RN180), 240 (RN240), and 300 kg N ha-1 (RN300, traditional N application rate in the TLR). Wheat straws were fully incorporated into soil before rice transplantation. The meta-analytic technique was employed to evaluate various Nr losses. Results showed that the response of rice yield to N rate successfully fitted a quadratic model, while N fertilization promoted Nr discharges exponentially (nitrous oxide emission, N leaching, and runoff) or linearly (ammonia volatilization). The GHGI of rice production ranged from 1.20 (RN240) to 1.61 kg CO2 equivalent (CO2 eq) kg-1 (RN0), while NrI varied from 2.14 (RN0) to 10.92 g N kg-1 (RN300). Methane (CH4) emission dominated the GHGI with a proportion of 70.2-88.6 % due to direct straw incorporation, while ammonia (NH3) volatilization dominated the NrI with proportion of 53.5-57.4 %. Damage costs to environment incurred by GHG and Nr releases from current rice production (RN300) accounted for 8.8 and 4.9 % of farmers' incomes, respectively. Cutting N application rate from 300 (traditional N rate) to 240 kg N ha-1 could improve rice yield and nitrogen use efficiency by 2.14 and 10.30 %, respectively, while simultaneously reducing GHGI by 13 %, NrI by 23 %, and total environmental costs by 16 %. Moreover, the reduction of 60 kg N ha-1 improved farmers' income by CNY 639 ha-1, which would provide them with an incentive to change the current N application rate. Our study suggests that GHG

  3. MODULAR APPLICATION OF COMPUTATIONAL MODELS OF INHALED REACTIVE GAS DOSIMETRY FOR RISK ASSESSMENT OF RESPIRATORY TRACT TOXICITY: CHLORINE

    EPA Science Inventory

    Inhaled reactive gases typically cause respiratory tract toxicity with a prominent proximal to distal lesion pattern. This pattern is largely driven by airflow and interspecies differences between rodents and humans result from factors such as airway architecture, ventilation ra...

  4. Effects of the electrical parameters and gas flow rate on the generation of reactive species in liquids exposed to atmospheric pressure plasma jets

    NASA Astrophysics Data System (ADS)

    Baek, Eun Jeong; Joh, Hea Min; Kim, Sun Ja; Chung, T. H.

    2016-07-01

    In this work, an atmospheric pressure plasma jet was fabricated and studied for plasma-liquid interactions. The plasma jet consists of a quartz-covered pin electrode and outer quartz tube with a tapered nozzle. Using the current-voltage (I-V) and optical emission characteristics of the plasma jet, the plasma density and the speed of the plume were investigated. The optical emission spectra clearly indicated the excited NO, O, OH, N2, and N2+ in the plasma plumes. Then the plasma jets were applied to the deionized water. We investigated the effects of the operating parameters such as applied voltage, pulse frequency, and gas flow rate on the generation of reactive species in the gas and liquid phases. The densities of reactive species including OH radicals were obtained at the plasma-liquid surface and inside the plasma-treated liquids using ultraviolet absorption spectroscopy and chemical probe method. The nitrite concentration was detected by Griess assay. The data are very suggestive that there is a strong correlation among the production of reactive oxygen and nitrogen species (RONS) in the plasmas and liquids.

  5. Gas/solid carbon branching ratios in surface-mediated reactions and the incorporation of carbonaceous material into planetesimals

    NASA Astrophysics Data System (ADS)

    Nuth, Joseph A.; Johnson, Natasha M.; Ferguson, Frank T.; Carayon, Alicia

    2016-06-01

    We report the ratio of the initial carbon available as CO that forms gas-phase compounds compared to the fraction that deposits as a carbonaceous solid (the gas/solid branching ratio) as a function of time and temperature for iron, magnetite, and amorphous iron silicate smoke catalysts during surface-mediated reactions in an excess of hydrogen and in the presence of N2. This fraction varies from more than 99% for an amorphous iron silicate smoke at 673 K to less than 40% for a magnetite catalyst at 873 K. The CO not converted into solids primarily forms methane, ethane, water, and CO2, as well as a very wide range of organic molecules at very low concentration. Carbon deposits do not form continuous coatings on the catalytic surfaces, but instead form extremely high surface area per unit volume "filamentous" structures. While these structures will likely form more slowly but over much longer times in protostellar nebulae than in our experiments due to the much lower partial pressure of CO, such fluffy coatings on the surfaces of chondrules or calcium aluminum inclusions could promote grain-grain sticking during low-velocity collisions.

  6. Gas/solid carbon branching ratios in surface-mediated reactions and the incorporation of carbonaceous material into planetesimals

    NASA Astrophysics Data System (ADS)

    Nuth, Joseph A.; Johnson, Natasha M.; Ferguson, Frank T.; Carayon, Alicia

    2016-07-01

    We report the ratio of the initial carbon available as CO that forms gas-phase compounds compared to the fraction that deposits as a carbonaceous solid (the gas/solid branching ratio) as a function of time and temperature for iron, magnetite, and amorphous iron silicate smoke catalysts during surface-mediated reactions in an excess of hydrogen and in the presence of N2. This fraction varies from more than 99% for an amorphous iron silicate smoke at 673 K to less than 40% for a magnetite catalyst at 873 K. The CO not converted into solids primarily forms methane, ethane, water, and CO2, as well as a very wide range of organic molecules at very low concentration. Carbon deposits do not form continuous coatings on the catalytic surfaces, but instead form extremely high surface area per unit volume "filamentous" structures. While these structures will likely form more slowly but over much longer times in protostellar nebulae than in our experiments due to the much lower partial pressure of CO, such fluffy coatings on the surfaces of chondrules or calcium aluminum inclusions could promote grain-grain sticking during low-velocity collisions.

  7. A new method for direct total OH reactivity measurements using a fast Gas Chromatographic Photo-Ionization Detector (GC-PID)

    NASA Astrophysics Data System (ADS)

    Nölscher, A. C.; Sinha, V.; Bockisch, S.; Klüpfel, T.; Williams, J.

    2012-04-01

    *160*400 mm), light (8 kg) and provides a good time resolution (50-60 sec). The method is able to operate in ambient conditions, requires no external carrier gas, and an internal battery provides power for ca. 12 hours which makes the instrument suitable for outdoor field campaigns. The GC-PID detection limit for pyrrole is 3 ppb, which is adequate for this application and total OH reactivity can be measured under optimum conditions down to 4 sec-1. The new set-up has been tested in parallel to previously validated PTR-MS measurements for CRM in laboratory experiments, a plant chamber, and boreal forest field studies. Advantages and drawbacks of the new technique are discussed. Although the polymerization of pyrrole on the detector window remains a weakness in the present version of the system, in general the GC-PID produces acceptable results. [1] Calpini et al, 1999, Analusis, 27, 328 [2] Kovacs and Brune. 2001, Journal of Atmospheric Chemistry, 39, 105-122 [3] V. Sinha et al, 2008, Atmos. Chem. Phys., 8, 2213-2227 [4] http://www.environics-iut.de/

  8. Responses of Solid Tumor Cells in DMEM to Reactive Oxygen Species Generated by Non-Thermal Plasma and Chemically Induced ROS Systems

    PubMed Central

    Kaushik, Neha; Uddin, Nizam; Sim, Geon Bo; Hong, Young June; Baik, Ku Youn; Kim, Chung Hyeok; Lee, Su Jae; Kaushik, Nagendra Kumar; Choi, Eun Ha

    2015-01-01

    In this study, we assessed the role of different reactive oxygen species (ROS) generated by soft jet plasma and chemical-induced ROS systems with regard to cell death in T98G, A549, HEK293 and MRC5 cell lines. For a comparison with plasma, we generated superoxide anion (O2−), hydroxyl radical (HO·), and hydrogen peroxide (H2O2) with chemicals inside an in vitro cell culture. Our data revealed that plasma decreased the viability and intracellular ATP values of cells and increased the apoptotic population via a caspase activation mechanism. Plasma altered the mitochondrial membrane potential and eventually up-regulated the mRNA expression levels of BAX, BAK1 and H2AX gene but simultaneously down-regulated the levels of Bcl-2 in solid tumor cells. Moreover, a western blot analysis confirmed that plasma also altered phosphorylated ERK1/2/MAPK protein levels. At the same time, using ROS scavengers with plasma, we observed that scavengers of HO· (mannitol) and H2O2 (catalase and sodium pyruvate) attenuated the activity of plasma on cells to a large extent. In contrast, radicals generated by specific chemical systems enhanced cell death drastically in cancer as well as normal cell lines in a dose-dependent fashion but not specific with regard to the cell type as compared to plasma. PMID:25715710

  9. Responses of Solid Tumor Cells in DMEM to Reactive Oxygen Species Generated by Non-Thermal Plasma and Chemically Induced ROS Systems

    NASA Astrophysics Data System (ADS)

    Kaushik, Neha; Uddin, Nizam; Sim, Geon Bo; Hong, Young June; Baik, Ku Youn; Kim, Chung Hyeok; Lee, Su Jae; Kaushik, Nagendra Kumar; Choi, Eun Ha

    2015-02-01

    In this study, we assessed the role of different reactive oxygen species (ROS) generated by soft jet plasma and chemical-induced ROS systems with regard to cell death in T98G, A549, HEK293 and MRC5 cell lines. For a comparison with plasma, we generated superoxide anion (O2-), hydroxyl radical (HO.), and hydrogen peroxide (H2O2) with chemicals inside an in vitro cell culture. Our data revealed that plasma decreased the viability and intracellular ATP values of cells and increased the apoptotic population via a caspase activation mechanism. Plasma altered the mitochondrial membrane potential and eventually up-regulated the mRNA expression levels of BAX, BAK1 and H2AX gene but simultaneously down-regulated the levels of Bcl-2 in solid tumor cells. Moreover, a western blot analysis confirmed that plasma also altered phosphorylated ERK1/2/MAPK protein levels. At the same time, using ROS scavengers with plasma, we observed that scavengers of HO. (mannitol) and H2O2 (catalase and sodium pyruvate) attenuated the activity of plasma on cells to a large extent. In contrast, radicals generated by specific chemical systems enhanced cell death drastically in cancer as well as normal cell lines in a dose-dependent fashion but not specific with regard to the cell type as compared to plasma.

  10. Study of solid/liquid and solid/gas interfaces in Cu-isoleucine complex by surface X-ray diffraction

    NASA Astrophysics Data System (ADS)

    Ferrer, Pilar; Rubio-Zuazo, Juan; Castro, German R.

    2013-02-01

    The enzymes could be understood like structures formed by amino acids bonded with metals, which act as active sites. The research on the coordination of metal-amino acid complexes will bring light on the behavior of metal enzymes, due to the close relation existing between the atomic structure and the functionality. The Cu-isoleucine bond is considered as a good model system to attain a better insight into the characteristics of naturally occurring copper metalloproteins. The surface structure of metal-amino acid complex could be considered as a more realistic model for real systems under biologic working conditions, since the molecular packing is decreased. In the surface, the structural constrains are reduced, keeping the structural capability of surface complex to change as a function of the surrounding environment. In this work, we present a surface X-ray diffraction study on Cu-isoleucine complex under different ambient conditions. Cu(Ile)2 crystals of about 5 mm × 5 mm × 1 mm have been growth, by seeding method in a supersaturated solution, presenting a surface of high quality. The sample for the surface diffraction study was mounted on a cell specially designed for solid/liquid or solid/gas interface analysis. The Cu-isoleucine crystal was measured under a protective dry N2 gas flow and in contact with a saturated metal amino acid solution. The bulk and the surface signals were compared, showing different atomic structures. In both cases, from surface diffraction data, it is observed that the atomic structure of the top layer undergoes a clear structural deformation. A non-uniform surface relaxation is observed producing an inhomogeneous displacement of the surface atoms towards the surface normal.

  11. Air Pollution Monitoring and Use of Nanotechnology Based Solid State Gas Sensors in Greater Cairo Area, Egypt

    NASA Astrophysics Data System (ADS)

    Ramadan, A. B. A.

    Air pollution is a serious problem in thickly populated and industrialized areas in Egypt, especially in greater Cairo area. Economic growth and industrialization are proceeding at a rapid pace, accompanied by increasing emissions of air polluting sources. Furthermore, though the variety and quantities of polluting sources have increased dramatically, the development of a suitable method for monitoring the pollution causing sources has not followed at the same pace. Environmental impacts of air pollutants have impact on public health, vegetation, material deterioration etc. To prevent or minimize the damage caused by atmospheric pollution, suitable monitoring systems are urgently needed that can rapidly and reliably detect and quantify polluting sources for monitoring by regulating authorities in order to prevent further deterioration of the current pollution levels. Consequently, it is important that the current real-time air quality monitoring system, controlled by the Egyptian Environmental Affairs Agency (EEAA), should be adapted or extended to aid in alleviating this problem. Nanotechnology has been applied to several industrial and domestic fields, for example, applications for gas monitoring systems, gas leak detectors in factories, fire and toxic gas detectors, ventilation control, breath alcohol detectors, and the like. Here we report an application example of studying air quality monitoring based on nanotechnology `solid state gas sensors'. So as to carry out air pollution monitoring over an extensive area, a combination of ground measurements through inexpensive sensors and wireless GIS will be used for this purpose. This portable device, comprising solid state gas sensors integrated to a Personal Digital Assistant (PDA) linked through Bluetooth communication tools and Global Positioning System (GPS), will allow rapid dissemination of information on pollution levels at multiple sites simultaneously.

  12. Comparison of the Reactivity of the Three Distonic Isomers of the Pyridine Radical Cation Toward Tetrahydrofuran in Solution and in the Gas Phase

    NASA Astrophysics Data System (ADS)

    Widjaja, Fanny; Jin, Zhicheng; Nash, John J.; Kenttämaa, Hilkka I.

    2013-04-01

    The reactivity of the three distonic isomers of the pyridine radical cation toward tetrahydrofuran is compared in solution and in the gas phase. In solution, the distonic ions were generated by UV photolysis at 300 nm from iodo-precursors in acidic 50:50 tetrahydrofuran/water solutions. In the gas phase, the ions were generated by collisionally activated dissociation (CAD) of protonated iodo-precursors in an FT-ICR mass spectrometer, as described in the literature. The same major reaction, hydrogen atom abstraction, was observed in solution and in the gas phase. Attempts to cleave the iodine atom from the 2-iodopyridinium cation in the gas phase and in solution yielded the 2-pyridyl cation in addition to the desired 2-dehydropyridinium cation. In the gas phase, this ion was ejected prior to the examination of the desired ion's chemical properties. This was not possible in solution. This study suggests that solvation effects are not significant for radical reactions of charged radicals. On the other hand, the even-electron ion studied, the 2-pyridyl cation, shows substantial solvation effects. For example, in solution, the 2-pyridyl cation forms a stable adduct with tetrahydrofuran, whereas in the gas phase, only addition/elimination reactions were observed.

  13. Thermodynamic analysis of a combined gas turbine power plant with a solid oxide fuel cell for marine applications

    NASA Astrophysics Data System (ADS)

    Welaya, Yousri M. A.; Mosleh, M.; Ammar, Nader R.

    2013-12-01

    Strong restrictions on emissions from marine power plants (particularly SOx, NOx) will probably be adopted in the near future. In this paper, a combined solid oxide fuel cell (SOFC) and gas turbine fuelled by natural gas is proposed as an attractive option to limit the environmental impact of the marine sector. It includes a study of a heatrecovery system for 18 MW SOFC fuelled by natural gas, to provide the electric power demand onboard commercial vessels. Feasible heat-recovery systems are investigated, taking into account different operating conditions of the combined system. Two types of SOFC are considered, tubular and planar SOFCs, operated with either natural gas or hydrogen fuels. This paper includes a detailed thermodynamic analysis for the combined system. Mass and energy balances are performed, not only for the whole plant but also for each individual component, in order to evaluate the thermal efficiency of the combined cycle. In addition, the effect of using natural gas as a fuel on the fuel cell voltage and performance is investigated. It is found that a high overall efficiency approaching 70% may be achieved with an optimum configuration using SOFC system under pressure. The hybrid system would also reduce emissions, fuel consumption, and improve the total system efficiency.

  14. A DMPA Langmuir monolayer study: from gas to solid phase. An atomistic description by molecular dynamics Simulation.

    PubMed

    Giner-Casares, J J; Camacho, L; Martín-Romero, M T; Cascales, J J López

    2008-03-01

    In this work, a DMPA Langmuir monolayer at the air/water interface was studied by molecular dynamics simulations. Thus, an atomistic picture of a Langmuir monolayer was drawn from its expanded gas phase to its final solid condensed one. In this sense, some properties of monolayers that were traditionally poorly or even not reproduced in computer simulations, such as lipid domain formation or pressure-area per lipid isotherm, were properly reproduced in this work. Thus, the physical laws that control the lipid domain formation in the gas phase and the structure of lipid monolayers from the gas to solid condensed phase were studied. Thanks to the atomistic information provided by the molecular dynamics simulations, we were able to add valuable information to the experimental description of these processes and to access experimental data related to the lipid monolayers in their expanded phase, which is difficult or inaccessible to study by experimental techniques. In this sense, properties such as lipids head hydration and lipid structure were studied. PMID:18225932

  15. Physically flexible, rapid-response gas sensor based on colloidal quantum dot solids.

    PubMed

    Liu, Huan; Li, Min; Voznyy, Oleksandr; Hu, Long; Fu, Qiuyun; Zhou, Dongxiang; Xia, Zhe; Sargent, Edward H; Tang, Jiang

    2014-05-01

    A gas sensor based on PbS colloidal quantum dots (CQDs) is constructed on a paper substrate, yielding flexible, rapid-response NO₂ gas sensors, fabricated from the solution phase. The devices are highly sensitive and fully recoverable at room temperature, which is attributed to the excellent access of gas molecules to the CQD surface, realized by surface ligand removal, combined with the desirable binding energy of NO₂ with the PbS CQDs. PMID:24452852

  16. Gas-Phase Reactions of Cationic Vanadium-Phosphorus Oxide Clusters with C2Hx (x=4, 6): A DFT-Based Analysis of Reactivity Patterns

    PubMed Central

    Dietl, Nicolas; Zhang, Xinhao; van der Linde, Christian; Beyer, Martin K; Schlangen, Maria; Schwarz, Helmut

    2013-01-01

    The reactivities of the adamantane-like heteronuclear vanadium-phosphorus oxygen cluster ions [VxP4−xO10].+ (x=0, 2–4) towards hydrocarbons strongly depend on the V/P ratio of the clusters. Possible mechanisms for the gas-phase reactions of these heteronuclear cations with ethene and ethane have been elucidated by means of DFT-based calculations; homolytic C–H bond activation constitutes the initial step, and for all systems the P–O. unit of the clusters serves as the reactive site. More complex oxidation processes, such as oxygen-atom transfer to, or oxidative dehydrogenation of the hydrocarbons require the presence of a vanadium atom to provide the electronic prerequisites which are necessary to bring about the 2e− reduction of the cationic clusters. PMID:23322620

  17. Technical bases for the use of CIF{sub 3} in the MSRE reactive gas removal project at Oak Ridge National Laboratory, Oak Ridge, Tennessee

    SciTech Connect

    Trowbridge, L.D.

    1997-06-01

    Nearly impermeable, non-volatile deposits in the Molten Salt Reactor Experiment (MSRE) off-gas piping are impeding the removal of reactive gases from that system. The deposits almost certainly consist of reduced uranium fluorides or of uranium oxyfluorides. Treatment with ClF{sub 3} is a non-intrusive method capable of chemically converting these compounds back to UF{sub 6}, which can then be removed as a gas. This report discusses the technical bases for the use of ClF{sub 3} treatments in this system. A variety of issues are examined, and where the necessary information exists or has been developed, the resolution discussed. The more important of these issues include the efficacy of ClF{sub 3} at deposit removal under the conditions imposed by the MSRE system, materials compatibility of ClF{sub 3} and its reaction products, and operational differences in the Reactive Gas Removal System imposed by the presence of ClF{sub 3} and its products.

  18. Opaque Mineral Assemblages at Chondrule Boundaries in the Vigarano CV Chondrite: Evidence for Gas-Solid Reactions Following Chondrule Formation

    NASA Technical Reports Server (NTRS)

    Lauretta, Dante S.

    2004-01-01

    Recent studies of opaque minerals in primitive ordinary chondrites suggest that metal grains exposed at chondrule boundaries were corroded when volatile elements recondensed after the transient heating event responsible for chondrule formation. Metal grains at chondrule boundaries in the Bishunpur (LL3.1) chondrite are rimmed by troilite and fayalite. If these layers formed by gas solid reaction, then the composition of the corrosion products can provide information on the chondrule formation environment. Given the broad similarities among chondrules from different chondrite groups, similar scale layers should occur on chondrules in other primitive meteorite groups. Here I report on metal grains at chondrule boundaries in Vigarano (CV3).

  19. Investigation by solid-phase microextraction and gas chromatography/mass spectrometry of trail pheromones in ants.

    PubMed

    Tullio, Alessandra Di; Angelis, Francesco De; Reale, Samantha; Grasso, Donato A; Visicchio, Roberto; Castracani, Cristina; Mori, Alessandra; Moli, Francesco Le

    2003-01-01

    The Dufour's gland content of workers of two ant species of the genus Messor has been analyzed by solid-phase microextraction and gas chromatography with mass spectrometry (GC/MS). The structures of the compounds in the pheromonal mixtures have been determined. In both cases only one intact gland, inserted in a properly dimensioned capillary vial, is sufficient to produce a clean and fully interpretable GC/MS profile. It is worth noting that, for the first time in Messor ants, farnesol has been detected as a minor component of glandular secretion in Messor capitatus. PMID:12955735

  20. Three-phase gas-liquid-solid foaming bubble reactors and self-lubricated transport of bitumen froth

    NASA Astrophysics Data System (ADS)

    Mata, Clara E.

    Two distinct topics in multi-phase flow of interest of the oil industry are considered in this thesis. Studies of three-phase gas-liquid-solid foaming bubble reactors and self-lubricated transport of bitumen froth are reported. Applications of foams and foaming are found in many industrial processes such as flotation of minerals, enhanced oil recovery, drilling in oil reservoirs, and refining processes. However the physics of foaming and defoaming are not fully understood. Foams trap gas and are not desirable in some processes such as oil refining. Previously, it has been found that foaming may be strongly suppressed in a cold slit bubble reactor by fluidizing hydrophilic particles in the bubbly mixture below the foam. In this work, we fluidized hydrophobic and hydrophilic versions of two different sands in a cold slit foaming bubble reactor. We found that the hydrophobic sands suppress the foam substantially better than their hydrophilic counterparts. To study the capacity of foams to carry particles, we built a new slit foaming bubble reactor, which can be continuously fed with solid particles. Global gas, liquid, and solid holdups were measured for given gas and liquid velocities and solid flow rates. This research provides the fundamental ground work for the identification of flow types in a slit three-phase foaming bubble reactor with continuous injection of particles. Bitumen froth is produced from the oil sands of Athabasca, Canada. When transported in a pipeline, water present in the froth is released in regions of high shear (at the pipe wall). This results in a lubricating layer of water that allows bitumen froth pumping at greatly reduced pressures and hence the potential for savings in pumping energy consumption. Experimental results establishing the features of this self lubrication phenomenon are presented. The pressure gradient of lubricated flows closely follow the empirical law of Blasius for turbulent pipe flow with a constant of proportionality

  1. Optimisation of specialty malt volatile analysis by headspace solid-phase microextraction in combination with gas chromatography and mass spectrometry.

    PubMed

    Vandecan, Sem M G; Saison, Daan; Schouppe, Nina; Delvaux, Filip; Delvaux, Freddy R

    2010-06-25

    The objective of this study was to develop a technique for analysing 14 flavour components, relevant for specialty malts. Therefore, a method was developed for the analysis of these components in dry ground malt using headspace solid-phase microextraction coupled with gas chromatography and mass spectrometry. A procedure was optimised for the optimal amount of sample, fibre selection, extraction temperature and extraction time. Afterwards, the method was calibrated and validated by the quantification of the specialty malt flavour components in a colour, a caramel and a roasted malt. PMID:20541643

  2. Observation of the core of the Perseus cluster with the Einstein solid state spectrometer: Cooling gas and elemental abundances

    NASA Technical Reports Server (NTRS)

    Mushotzky, R. F.; Holt, S. S.; Smith, B. W.; Boldt, E. A.; Serlemitsos, P. J.

    1980-01-01

    Solid State Spectrometer observations of the core of the Perseus cluster have resulted in the detection of X-ray emission lines due to Si, S, and Fe. Analysis of the spectrum indicates that the X-ray emission has at least two characteristic temperatures. This is interpreted in the framework of radiative accretion in the core of the cluster. The derived parameters are a cooling time tc less than 2 x 109 yrs for the low temperature gas, a mass accretion rate of approximately 300 Mo/yr and a characteristic size of 10 to 20 Kpc for the cool gas. The Fe abundance in the core, approximately 0.4, is similar to the Fe abundance averaged over the whole cluster indicating that Fe emission is not strongly concentrated about NGC 1275. The Si and S abundances are consistent with solar values.

  3. Anode gas recirculation for improving the performance and cost of a 5-kW solid oxide fuel cell system

    NASA Astrophysics Data System (ADS)

    Torii, Ryohei; Tachikawa, Yuya; Sasaki, Kazunari; Ito, Kohei

    2016-09-01

    Solid oxide fuel cells (SOFCs) have the potential to efficiently convert chemical energy into electricity and heat and are expected to be implemented in stationary combined heat and power (CHP) systems. This paper presents the heat balance analysis for a 5-kW medium-sized integrated SOFC system and the evaluation of the effect of anode gas recirculation on the system performance. The risk of carbon deposition on an SOFC anode due to anode gas recirculation is also assessed using the C-H-O diagram obtained from thermodynamic equilibrium calculations. These results suggest that a higher recirculation ratio increases net fuel utilization and improves the electrical efficiency of the SOFC system. Furthermore, cost simulation of the SOFC system and comparison with the cost of electricity supply by a power grid indicates that the capital cost is sufficiently low to popularize the SOFC system in terms of the total cost over one decade.

  4. Solid phase micro extraction - A new technique coupled with gas chromatograph for chloroethene analysis from aqueous samples

    SciTech Connect

    Xu, N.; Sewell, G.W.

    1996-10-01

    Once the chloroethenes (tetrachloroethene and trichloroethene) contamination occurs in the subsurface environment, they tend to retain and form a Pollution plum in the aquifer because of their recalcitrance to aerobic oxidation. Currently, the most promising bioremediation method for chlorinated compounds is through anaerobic reductive biotransformation, in which each chlorine is replaced by a hydrogen. To study the biodegradation process, it is essential to monitor tetrachloroethene and its degradation daughter products frequently. An analytical method has been modified for chloroethene analysis by gas chromatography. Solid Phase Micro Extraction technique has been used to extract aqueous sample onto a fiber and then to desorb the sample directly into a gas chromatograph injection port. The total run time is less than 17 minutes.

  5. Analysis of a landfill gas to energy system at the municipal solid waste landfill in Gaziantep, Turkey.

    PubMed

    Tercan, Safak Hengirmen; Cabalar, Ali Firat; Yaman, Gokhan

    2015-08-01

    This paper presents an analysis of the electricity generation from municipal solid waste (MSW), via landfill gas valorization technology, at the landfill of Gaziantep City, Turkey. Rapid increase in population, and industrial developments, throughout the world including Turkey results in larger amount of waste materials generated, increased need for energy, and adverse affects on the environment and human health. Turkey plans to produce 1/3 of its electricity demand using renewable energy sources by the year of 2023. It is recommended to use each year around 25 million tonnes of the MSW generated nationwide for a renewable energy supply. In this study, a concise summary of current status of electricity generation from a MSW landfill gas plant (via biogas harnessing) located in Gaziantep City was analyzed as a case study. PMID:26211632

  6. A novel solid state fermentation coupled with gas stripping enhancing the sweet sorghum stalk conversion performance for bioethanol

    PubMed Central

    2014-01-01

    Background Bioethanol production from biomass is becoming a hot topic internationally. Traditional static solid state fermentation (TS-SSF) for bioethanol production is similar to the traditional method of intermittent operation. The main problems of its large-scale intensive production are the low efficiency of mass and heat transfer and the high ethanol inhibition effect. In order to achieve continuous production and high conversion efficiency, gas stripping solid state fermentation (GS-SSF) for bioethanol production from sweet sorghum stalk (SSS) was systematically investigated in the present study. Results TS-SSF and GS-SSF were conducted and evaluated based on different SSS particle thicknesses under identical conditions. The ethanol yield reached 22.7 g/100 g dry SSS during GS-SSF, which was obviously higher than that during TS-SSF. The optimal initial gas stripping time, gas stripping temperature, fermentation time, and particle thickness of GS-SSF were 10 h, 35°C, 28 h, and 0.15 cm, respectively, and the corresponding ethanol stripping efficiency was 77.5%. The ethanol yield apparently increased by 30% with the particle thickness decreasing from 0.4 cm to 0.05 cm during GS-SSF. Meanwhile, the ethanol yield increased by 6% to 10% during GS-SSF compared with that during TS-SSF under the same particle thickness. The results revealed that gas stripping removed the ethanol inhibition effect and improved the mass and heat transfer efficiency, and hence strongly enhanced the solid state fermentation (SSF) performance of SSS. GS-SSF also eliminated the need for separate reactors and further simplified the bioethanol production process from SSS. As a result, a continuous conversion process of SSS and online separation of bioethanol were achieved by GS-SSF. Conclusions SSF coupled with gas stripping meet the requirements of high yield and efficient industrial bioethanol production. It should be a novel bioconversion process for bioethanol production from SSS

  7. Geometric, electronic and intrinsic chemical reactivity properties of mono- and bi-substituted quinoline derivatives for the ground state in gas phase

    NASA Astrophysics Data System (ADS)

    Neira Bueno, O. L.; Hincapié H, L.; García Madrid, C.

    2016-02-01

    The study of geometric, electronic properties and intrinsic chemical reactivity is presented for the case of Quinoline and three-derived molecules (4-Amino-Quinoline, 3- Phenyl-Quinoline, 4-Amino-3-phenylquinoline). The study was carried for the ground state in gas phase in the context of the functional theory density using B3LYP/6 31+G (d) model. The purpose of the study is aimed for identifying a compound derived from quinoline, on based to mono- or bi-substitution, using the amino fragment and the phenyl group.

  8. Deposition and characterization of zirconium nitride (ZrN) thin films by reactive magnetron sputtering with linear gas ion source and bias voltage

    SciTech Connect

    Kavitha, A.; Kannan, R.; Subramanian, N. Sankara; Loganathan, S.

    2014-04-24

    Zirconium nitride thin films have been prepared on stainless steel substrate (304L grade) by reactive cylindrical magnetron sputtering method with Gas Ion Source (GIS) and bias voltage using optimized coating parameters. The structure and surface morphologies of the ZrN films were characterized using X-ray diffraction, atomic microscopy and scanning electron microscopy. The adhesion property of ZrN thin film has been increased due to the GIS. The coating exhibits better adhesion strength up to 10 N whereas the ZrN thin film with bias voltage exhibits adhesion up to 500 mN.

  9. Development of a Solid Oxide Fuel Cell for the utilization of coal mine gas

    NASA Astrophysics Data System (ADS)

    Groß, B.; Blum, L.; de Haart, L. G. J.; Dengel, A.

    Apart from natural gas there is another important natural source of methane. The so-called coal mine gas is a by-product of the geochemical process of the carbonization of sediments from marsh woods of the Earth's Carboniferous Period. Methane evaporates from the coal and has to be removed out of the active mines where it represents one of the main safety risks. Methane also evaporates in abandoned coal mines. In the federal state Saarland in Germany exists above ground a more than 110 km pipeline for the drained coal mine gas from 12 different sources. The content of methane varies between 25 and 90%, the oxygen content (from air) is in the range up to 10%. This wide range or variation, respectively, of fuel and oxygen content, causes a lot of problems for the use in conventional engines. Therefore the company Evonik New Energies GmbH is interested in using SOFC with coal mine gas as efficient as possible to produce electric power. For that purpose at Forschungszentrum Jülich the available SOFC technology was adapted to the use with coal mine gas and a test facility was designed to operate an SOFC stack (approximately 2 kW electrical power output) together with a pre-reformer. This paper presents the results of the coal mine gas analysis and the effect on the pre-reformer and the fuel cell. The composition of the coal mine gas was determined by means of micro-gas chromatography. The results obtained from preliminary tests using synthetic and real coal mine gas on the pre-reformer and on the fuel cell are discussed.

  10. An improved external recycle reactor for determining gas-solid reaction kinetics

    NASA Technical Reports Server (NTRS)

    Miller, Irvin M.; Hoyt, Ronald F.

    1987-01-01

    These improvements in the recycle system effectively eliminate initial concentration variation by two modifications: (1) a vacuum line connection to the recycle loop which permits this loop to be evacuated and then filled with the test gas mixture to slightly above atmospheric pressure; and (2) a bypass line across the reactor which permits the reactor to be held under vacuum while the rest of the recycle loop is filled with test gas. A three-step procedure for bringing the feed gas mixture into contact with the catalyst at time zero is described.

  11. Demonstration of a Highly Efficient Solid Oxide Fuel Cell Power System Using Adiabatic Steam Reforming and Anode Gas Recirculation

    SciTech Connect

    Powell, Michael R.; Meinhardt, Kerry D.; Sprenkle, Vincent L.; Chick, Lawrence A.; Mcvay, Gary L.

    2012-05-01

    Solid oxide fuel cells (SOFC) are currently being developed for a wide variety of applications because of their high efficiency at multiple power levels. Applications for SOFCs encompass a large range of power levels including 1-2 kW residential combined heat and power applications, 100-250 kW sized systems for distributed generation and grid extension, and MW-scale power plants utilizing coal. This paper reports on the development of a highly efficient, small-scale SOFC power system operating on methane. The system uses adiabatic steam reforming of methane and anode gas recirculation to achieve high net electrical efficiency. The anode exit gas is recirculated and all of the heat and water required for the endothermic reforming reaction are provided by the anode gas emerging from the SOFC stack. Although the single-pass fuel utilization is only about 55%, because of the anode gas recirculation the overall fuel utilization is up to 93%. The demonstrated system achieved gross power output of 1650 to 2150 watts with a maximum net LHV efficiency of 56.7% at 1720 watts. Overall system efficiency could be further improved to over 60% with use of properly sized blowers.

  12. Analysis of trace contaminants in hot gas streams using time-weighted average solid-phase microextraction: proof of concept.

    PubMed

    Woolcock, Patrick J; Koziel, Jacek A; Cai, Lingshuang; Johnston, Patrick A; Brown, Robert C

    2013-03-15

    Time-weighted average (TWA) passive sampling using solid-phase microextraction (SPME) and gas chromatography was investigated as a new method of collecting, identifying and quantifying contaminants in process gas streams. Unlike previous TWA-SPME techniques using the retracted fiber configuration (fiber within needle) to monitor ambient conditions or relatively stagnant gases, this method was developed for fast-moving process gas streams at temperatures approaching 300 °C. The goal was to develop a consistent and reliable method of analyzing low concentrations of contaminants in hot gas streams without performing time-consuming exhaustive extraction with a slipstream. This work in particular aims to quantify trace tar compounds found in a syngas stream generated from biomass gasification. This paper evaluates the concept of retracted SPME at high temperatures by testing the three essential requirements for TWA passive sampling: (1) zero-sink assumption, (2) consistent and reliable response by the sampling device to changing concentrations, and (3) equal concentrations in the bulk gas stream relative to the face of the fiber syringe opening. Results indicated the method can accurately predict gas stream concentrations at elevated temperatures. Evidence was also discovered to validate the existence of a second boundary layer within the fiber during the adsorption/absorption process. This limits the technique to operating within reasonable mass loadings and loading rates, established by appropriate sampling depths and times for concentrations of interest. A limit of quantification for the benzene model tar system was estimated at 0.02 g m(-3) (8 ppm) with a limit of detection of 0.5 mg m(-3) (200 ppb). Using the appropriate conditions, the technique was applied to a pilot-scale fluidized-bed gasifier to verify its feasibility. Results from this test were in good agreement with literature and prior pilot plant operation, indicating the new method can measure low

  13. Evaluation and Application of a Solid Adsorbent Method for Monitoring Exposure to Volatile Organic Compounds from Oil and Gas Operations.

    NASA Astrophysics Data System (ADS)

    Smith, K. R.; Helmig, D.; Thompson, C. R.; Wang, W.; Terrell, R. M.; Lewis, A. C.

    2014-12-01

    Residential communities are being increasingly impacted by emissions from oil and gas development and this has driven the need for simple, effective, and low-cost methods for air quality monitoring. Primary emissions from oil and gas production consist of volatile organic compounds (VOCs) ranging from the short chain alkanes and alkenes to aromatic and semi-volatile species; many of these are a concern from both an air quality and public health viewpoint, as they can lead to local ozone pollution and increased risk of cancer or respiratory illness. The fate of hydrocarbons once in the atmosphere is ultimately oxidation through to CO2 and water, adding to the greenhouse gas burden. Measurement techniques that are capable of identifying and quantifying the full range of primary emissions of concern are required to assess community exposure to air toxics and to better inform residents, as well as local and state legislators. Here, we present evaluation of a low-cost air monitoring technique using stainless steel diffusion cartridges containing multiple solid adsorbents. Over the course of a three-month period in summer of 2014, cartridges were deployed at five monitoring sites located around Boulder County in the Northern Colorado Front Range, and exposed to ambient air for periods of up to four days along with concurrent sampling using stainless steel SUMMA canisters. Samples collected with both methods were subsequently analyzed for VOCs by GC-FID and the results were compared to determine the accuracy and precision of the diffusion cartridge method. Results of this evaluation show that the diffusion cartridge method has the potential to be a simple and low-cost solution for widespread exposure monitoring in communities near oil and gas development regions. Such measurements may also provide supporting evidence on wider effects on greenhouse gas emissions from oil and gas development operations.

  14. Solid State Gas Sensor Research in Germany – a Status Report

    PubMed Central

    Moos, Ralf; Sahner, Kathy; Fleischer, Maximilian; Guth, Ulrich; Barsan, Nicolae; Weimar, Udo

    2009-01-01

    This status report overviews activities of the German gas sensor research community. It highlights recent progress in the field of potentiometric, amperometric, conductometric, impedimetric, and field effect-based gas sensors. It is shown that besides step-by-step improvements of conventional principles, e.g. by the application of novel materials, novel principles turned out to enable new markets. In the field of mixed potential gas sensors, novel materials allow for selective detection of combustion exhaust components. The same goal can be reached by using zeolites for impedimetric gas sensors. Operando spectroscopy is a powerful tool to learn about the mechanisms in n-type and in p-type conductometric sensors and to design knowledge-based improved sensor devices. Novel deposition methods are applied to gain direct access to the material morphology as well as to obtain dense thick metal oxide films without high temperature steps. Since conductometric and impedimetric sensors have the disadvantage that a current has to pass the gas sensitive film, film morphology, electrode materials, and geometrical issues affect the sensor signal. Therefore, one tries to measure directly the Fermi level position either by measuring the gas-dependent Seebeck coefficient at high temperatures or at room temperature by applying a modified miniaturized Kelvin probe method, where surface adsorption-based work function changes drive the drain-source current of a field effect transistor. PMID:22408529

  15. The Physics Teacher: The Four States of Matter--Solid, Squishy, Liquid and Gas

    ERIC Educational Resources Information Center

    Clark, Roy W.

    2007-01-01

    The Physics Teacher provides introductory physics education at the high school and university levels and some of its articles are of interest to chemists. One such article points out that several substances used in the kitchen and bathrooms are not simple liquids or solids but are squishy substances, which include mayonnaise, shaving cream,…

  16. Investigation of solid polymer electrolyte gas sensor with different electrochemical techniques

    NASA Astrophysics Data System (ADS)

    Strzelczyk, A.; Jasinski, G.; Chachulski, B.

    2016-01-01

    In this work solid polymer electrolyte (SPE) amperometric sulphur dioxide sensor is investigated. Nafion was used as a membrane electrode and 1M sulphuric acid as an internal electrolyte. Sensor response to sulphur dioxide was measured. Besides traditional constant voltage amperometry also different electrochemical techniques were used. Results obtained by these methods are compared.

  17. HAZARDOUS GAS PRODUCTION BY ALPHA PARTICLES IN SOLID ORGANIC TRANSURANIC WASTE MATRICES

    EPA Science Inventory

    This project proposes to use fundamental radiation chemical techniques to elucidate the basic processes occurring in the heavy-ion radiolysis of solid hydrocarbon matrices such as polymers and organic resins that are associated with many of the transuranic waste deposits or the t...

  18. Compilation and evaluation of gas-phase diffusion coefficients of reactive trace gases in the atmosphere: volume 2. Organic compounds and Knudsen numbers for gas uptake calculations

    NASA Astrophysics Data System (ADS)

    Tang, M. J.; Shiraiwa, M.; Pöschl, U.; Cox, R. A.; Kalberer, M.

    2015-02-01

    Diffusion of organic vapours to the surface of aerosol or cloud particles is an important step for the formation and transformation of atmospheric particles. So far, however, a database of gas phase diffusion coefficients for organic compounds of atmospheric interest has not been available. In this work we have compiled and evaluated gas phase diffusivities (pressure-independent diffusion coefficients) of organic compounds reported by previous experimental studies, and we compare the measurement data to estimates obtained with Fuller's semi-empirical method. The difference between measured and estimated diffusivities are mostly < 10%. With regard to gas-particle interactions, different gas molecules, including both organic and inorganic compounds, exhibit similar Knudsen numbers (Kn) although their gas phase diffusivities may vary over a wide range. Knudsen numbers of gases with unknown diffusivity can be approximated by a simple function of particle diameter and pressure and can be used to characterize the influence of diffusion on gas uptake by aerosol or cloud particles. We use a kinetic multi-layer model of gas-particle interaction to illustrate the effects of gas phase diffusion on the condensation of organic compounds with different volatilities. The results show that gas-phase diffusion can play a major role in determining the growth of secondary organic aerosol particles by condensation of low-volatility organic vapours.

  19. Investigation into the determination of trimethylarsine in natural gas and its partitioning into gas and condensate phases using (cryotrapping)/gas chromatography coupled to inductively coupled plasma mass spectrometry and liquid/solid sorption techniques

    NASA Astrophysics Data System (ADS)

    Krupp, E. M.; Johnson, C.; Rechsteiner, C.; Moir, M.; Leong, D.; Feldmann, J.

    2007-09-01

    Speciation of trialkylated arsenic compunds in natural gas, pressurized and stable condensate samples from the same gas well was performed using (Cryotrapping) Gas Chromatography-Inductively Coupled Plasma Mass Spectrometry. The major species in all phases investigated was found to be trimethylarsine with a highest concentration of 17.8 ng/L (As) in the gas phase and 33.2 μg/L (As) in the stable condensate phase. The highest amount of trimethylarsine (121 μg/L (As)) was found in the pressurized condensate, along with trace amounts of non-identified higher alkylated arsines. Volatile arsenic species in natural gas and its related products cause concern with regards to environment, safety, occupational health and gas processing. Therefore, interest lies in a fast and simple field method for the determination of volatile arsenicals. Here, we use simple liquid and solid sorption techniques, namely absorption in silver nitrate solution and adsorption on silver nitrate impregnated silica gel tubes followed by total arsenic determination as a promising tool for field monitoring of volatile arsenicals in natural gas and gas condensates. Preliminary results obtained for the sorption-based methods show that around 70% of the arsenic is determined with these methods in comparison to volatile arsenic determination using GC-ICP-MS. Furthermore, an inter-laboratory- and inter-method comparison was performed using silver nitrate impregnated silica tubes on 14 different gas samples with concentrations varying from below 1 to 1000 μg As/m 3 natural gas. The results obtained from the two laboratories differ in a range of 10 to 60%, but agree within the order of magnitude, which is satisfactory for our purposes.

  20. Surface Chemical Composition Effect on Internal Gas Flow and Molecular Heat Exchange in a Gas-Solids System

    NASA Astrophysics Data System (ADS)

    Ukhov, Alexander; Borisov, Sergey; Porodnov, Boris

    2011-05-01

    On the basis of classical knowledge about movement of atoms and lattice theory of F. Goodman and G. Wachman the program modeling helium atom interaction with a three-dimensional crystal tungsten lattice taking into account partial surface covering by chemisorbed oxygen atoms is developed. An efficiency of molecular heat exchange of helium for pure and partially chemisorbed tungsten surface is calculated for different temperatures. Similar model of the surface and procedure of calculations have been applied for description of free-molecular gas flow in long cylindrical channel with clean and fully chemisorbed metal surface. Within the limits of the developed approach the results of calculations for both problems agree well with available experiments with surface contamination control.

  1. Direct gas-solid carbonation of serpentinite residues in the absence and presence of water vapor: a feasibility study for carbon dioxide sequestration.

    PubMed

    Veetil, Sanoopkumar Puthiya; Pasquier, Louis-César; Blais, Jean-François; Cecchi, Emmanuelle; Kentish, Sandra; Mercier, Guy

    2015-09-01

    Mineral carbonation of serpentinite mining residue offers an environmentally secure and permanent storage of carbon dioxide. The strategy of using readily available mining residue for the direct treatment of flue gas could improve the energy demand and economics of CO2 sequestration by avoiding the mineral extraction and separate CO2 capture steps. The present is a laboratory scale study to assess the possibility of CO2 fixation in serpentinite mining residues via direct gas-solid reaction. The degree of carbonation is measured both in the absence and presence of water vapor in a batch reactor. The gas used is a simulated gas mixture reproducing an average cement flue gas CO2 composition of 18 vol.% CO2. The reaction parameters considered are temperature, total gas pressure, time, and concentration of water vapor. In the absence of water vapor, the gas-solid carbonation of serpentinite mining residues is negligible, but the residues removed CO2 from the feed gas possibly due to reversible adsorption. The presence of small amount of water vapor enhances the gas-solid carbonation, but the measured rates are too low for practical application. The maximum CO2 fixation obtained is 0.07 g CO2 when reacting 1 g of residue at 200 °C and 25 barg (pCO2 ≈ 4.7) in a gas mixture containing 18 vol.% CO2 and 10 vol.% water vapor in 1 h. The fixation is likely surface limited and restricted due to poor gas-solid interaction. It was identified that both the relative humidity and carbon dioxide-water vapor ratio have a role in CO2 fixation regardless of the percentage of water vapor. PMID:25940479

  2. A novel method for rapid determination of total solid content in viscous liquids by multiple headspace extraction gas chromatography.

    PubMed

    Xin, Li-Ping; Chai, Xin-Sheng; Hu, Hui-Chao; Barnes, Donald G

    2014-09-01

    This work demonstrates a novel method for rapid determination of total solid content in viscous liquid (polymer-enriched) samples. The method is based multiple headspace extraction gas chromatography (MHE-GC) on a headspace vial at a temperature above boiling point of water. Thus, the trend of water loss from the tested liquid due to evaporation can be followed. With the limited MHE-GC testing (e.g., 5 extractions) and a one-point calibration procedure (i.e., recording the weight difference before and after analysis), the total amount of water in the sample can be determined, from which the total solid contents in the liquid can be calculated. A number of black liquors were analyzed by the new method which yielded results that closely matched those of the reference method; i.e., the results of these two methods differed by no more than 2.3%. Compared with the reference method, the MHE-GC method is much simpler and more practical. Therefore, it is suitable for the rapid determination of the solid content in many polymer-containing liquid samples. PMID:25064534

  3. Anaerobic digestion of ultrasonicated sludge at different solids concentrations - Computation of mass-energy balance and greenhouse gas emissions.

    PubMed

    Pilli, Sridhar; Yan, S; Tyagi, R D; Surampalli, R Y

    2016-01-15

    Two cases of anaerobic digestion (AD) of sludge, namely (i) with pre-treatment and (ii) without pre-treatment, were assessed using mass-energy balance and the corresponding greenhouse gas (GHG) emissions. For a digestion period of 30 days, volatile solids degradation of the control sludge and the ultrasonicated secondary sludge was 51.4% and 60.1%, respectively. Mass balance revealed that the quantity of digestate required for dewatering, transport and land application was the lowest (20.2 × 10(6) g dry sludge/day) for ultrasonicated secondary sludge at 31.4 g TS/L. Furthermore, for ultrasonicated secondary sludge at 31.4 g TS/L, the maximum net energy (energy output - energy input) of total dry solids (TDS) was 7.89 × 10(-6) kWh/g and the energy ratio (output/input) was 1.0. GHG emissions were also reduced with an increase in the sludge solids concentration (i.e., 40.0 g TS/L < 30.0 g TS/L < 20.0 g TS/L). Ultrasonication pre-treatment proved to be efficient and beneficial for enhancing anaerobic digestion efficiency of the secondary sludge when compared to the primary and mixed sludge. PMID:26546884

  4. Hybrid Solid Oxide Fuel Cell/Gas Turbine System Design for High Altitude Long Endurance Aerospace Missions

    NASA Technical Reports Server (NTRS)

    Himansu, Ananda; Freeh, Joshua E.; Steffen, Christopher J., Jr.; Tornabene, Robert T.; Wang, Xiao-Yen J.

    2006-01-01

    A system level analysis, inclusive of mass, is carried out for a cryogenic hydrogen fueled hybrid solid oxide fuel cell and bottoming gas turbine (SOFC/GT) power system. The system is designed to provide primary or secondary electrical power for an unmanned aerial vehicle (UAV) over a high altitude, long endurance mission. The net power level and altitude are parametrically varied to examine their effect on total system mass. Some of the more important technology parameters, including turbomachinery efficiencies and the SOFC area specific resistance, are also studied for their effect on total system mass. Finally, two different solid oxide cell designs are compared to show the importance of the individual solid oxide cell design on the overall system. We show that for long mission durations of 10 days or more, the fuel mass savings resulting from the high efficiency of a SOFC/GT system more than offset the larger powerplant mass resulting from the low specific power of the SOFC/GT system. These missions therefore favor high efficiency, low power density systems, characteristics typical of fuel cell systems in general.

  5. Cellulosic ethanol from municipal solid waste: a case study of the economic, energy, and greenhouse gas impacts in California.

    PubMed

    Chester, Mikhail; Martin, Elliot

    2009-07-15

    As cellulosic ethanol technologies advance, states could use the organic content of municipal solid waste as a transportation fuel feedstock and simultaneously reduce externalities associated with waste disposal. We examine the major processes required to support a lignocellulosic (employing enzymatic hydrolysis) municipal solid waste-to-ethanol infrastructure computing cost, energy, and greenhouse gas effects for California. The infrastructure is compared against the Business As Usual case where the state continues to import most of its ethanol needs from the Midwest. Assuming between 60% and 90% practical yields for ethanol production, California could produce between 1.0 and 1.5 billion gallons per year of ethanol from 55% of the 40 million metric tonnes of waste currently sent to landfills annually. The classification of organic wastes and ethanol plant operation represent almost the entire system cost (between $3.5 and $4.5 billion annually) while distribution has negligible cost effects and savings from avoided landfilling is small. Fossil energy consumption from Business As Usual decreases between 82 and 130 PJ largely due to foregone gasoline consumption. The net greenhouse gas impacts are ultimately dependent on how well landfills control their emissions of decomposing organics. Based on the current landfill mix in the state, the cellulosic infrastructure would experience a slight gain in greenhouse gas emissions. However, net emissions can rise if organics diversion releases carbon that would otherwise be flared and sequestered. Emissions would be avoided if landfills are not capable of effectively controlling emissions during periods of active waste decay. There is currently considerable uncertainty surrounding the recovery efficiency of landfill emissions controls. In either case, burying lignin appears to be better than burning lignin because of its decay properties, energy and carbon content We estimate the breakeven price for lignocellulosic ethanol

  6. A Simple Approach to Characterize Gas-Aqueous Liquid Two-phase Flow Configuration Based on Discrete Solid-Liquid Contact Electrification

    PubMed Central

    Choi, Dongwhi; Lee, Donghyeon; Sung Kim, Dong

    2015-01-01

    In this study, we first suggest a simple approach to characterize configuration of gas-aqueous liquid two–phase flow based on discrete solid-liquid contact electrification, which is a newly defined concept as a sequential process of solid-liquid contact and successive detachment of the contact liquid from the solid surface. This approach exhibits several advantages such as simple operation, precise measurement, and cost-effectiveness. By using electric potential that is spontaneously generated by discrete solid–liquid contact electrification, the configurations of the gas-aqueous liquid two-phase flow such as size of a gas slug and flow rate are precisely characterized. According to the experimental and numerical analyses on parameters that affect electric potential, gas slugs have been verified to behave similarly to point electric charges when the measuring point of the electric potential is far enough from the gas slug. In addition, the configuration of the gas-aqueous liquid two-phase microfluidic system with multiple gas slugs is also characterized by using the presented approach. For a proof-of-concept demonstration of using the proposed approach in a self-triggered sensor, a gas slug detector with a counter system is developed to show its practicality and applicability. PMID:26462437

  7. Distribution of gas flow in internally manifolded solid oxide fuel-cell stacks

    NASA Astrophysics Data System (ADS)

    Boersma, R. J.; Sammes, N. M.

    In internally manifolded fuel-cell stacks, there is a non-uniform gas flow distribution along the height of the system. To gain an insight into this distribution an analytical model has been developed. In the model, the stack is viewed as a network of hydraulic resistances. Some of these resistances are constant, while some depend upon the gas velocity and can be determined from the literature. The model consists of equations for the network with counter-current flow in the manifold channels. Only the most important resistances are included, i.e., the resistances due to splitting and combining the flows in the manifold channels, and the resistance in the gas channels of the active cell area. The ratio between the average flow and the flow in the upper cell can be solved from the model. In this manner, a very useful tool for separatorplate design is obtained.

  8. Development of an automated sampling-analysis system for simultaneous measurement of reactive oxygen species (ROS) in gas and particle phases: GAC-ROS

    NASA Astrophysics Data System (ADS)

    Huang, Wei; Zhang, Yuanxun; Zhang, Yang; Zeng, Limin; Dong, Huabin; Huo, Peng; Fang, Dongqing; Schauer, James J.

    2016-06-01

    A novel online system, GAC-ROS, for simultaneous measurement of reactive oxygen species (ROS) in both gas and particle phases was developed based on 2‧,7‧-dichlorofluorescin (DCFH) assay to provide fast sampling and analysis of atmospheric ROS. The GAC-ROS, composed of a Gas and Aerosol Collector (GAC), a series of reaction and transportation systems, and a fluorescence detector, was tested for instrumental performance in laboratory. Results showed good performance with a favorable R2 value for the calibration curve (above 0.998), high penetration efficiencies of ROS (above 99.5%), and low detection limits (gas-phase ROS: 0.16 nmol H2O2 m-3; particle-phase ROS: 0.12 nmol H2O2 m-3). Laboratorial comparison between online and offline methods for particle-bound ROS showed significant loss of ROS due to the relatively long time off-line treatment. Field observations in Beijing found that concentrations of ROS in winter time were significantly higher than those observed in spring. Only a few weak positive correlations were found between ROS and some air pollutants, which reflects the complexities of ROS generation and transformation in atmosphere. This study was the first to simultaneously obtain concentrations of gas and particle-phase ROS using an online method. Consequently, it provides a powerful tool to characterize the oxidizing capacity of the atmosphere and the sources of the oxidizing capacity.

  9. MANAGEMENT OF GAS AND LEACHATE IN LANDFILLS: PROCEEDINGS OF THE ANNUAL MUNICIPAL SOLID WASTE RESEARCH SYMPOSIUM (3RD) HELD AT ST. LOUIS, MISSOURI ON MARCH 14, 15 AND 16, 1977

    EPA Science Inventory

    Contents: Current research on land disposal of municipal solid wastes; Summary of office of solid waste gas and leachate activities; State of Missouri solid waste management activities; Region VII solid waste activities; Landfill research activities in Canada; The effects of indu...

  10. New paradigm for simplified combustion modeling of energetic solids: Branched chain gas reaction

    SciTech Connect

    Brewster, M.Q.; Ward, M.J.; Son, S.F.

    1997-09-01

    Two combustion models with simple but rational chemistry are compared: the classical high gas activation energy (E{sub g}/RT {much_gt} 1) Denison-Baum-Williams (DBW) model, and a new low gas activation energy (E{sub g}/RT {much_lt} 1) model recently proposed by Ward, Son, and Brewster (WSB). Both models make the same simplifying assumptions of constant properties, Lewis number unity, single-step, second order gas phase reaction, and single-step, zero order, high activation energy condensed phase decomposition. The only difference is in the gas reaction activation energy E{sub g} which is asymptotically large for DBW and vanishingly small for WSB. For realistic parameters the DBW model predicts a nearly constant temperature sensitivity {sigma}{sub p} and a pressure exponent n approaching 1. The WSB model predicts generally observed values of n = 0.7 to 0.9 and {sigma}{sub p}(T{sub o},P) with the generally observed variations with temperature (increasing) and pressure (decreasing). The WSB temperature profile also matches measured profiles better. Comparisons with experimental data are made using HMX as an illustrative example (for which WSB predictions for {sigma}{sub p}(T{sub o},P) are currently more accurate than even complex chemistry models). WSB has also shown good agreement with NC/NG double base propellant and HNF, suggesting that at the simplest level of combustion modeling, a vanishingly small gas activation energy is more realistic than an asymptotically large one. The authors conclude from this that the important (regression rate determining) gas reaction zone near the surface has more the character of chain branching than thermal decomposition.

  11. Investigation of gas/particle heat transfer rates in solid rocket motors

    NASA Astrophysics Data System (ADS)

    Moylan, B.; Sulyma, P.

    1992-07-01

    The ability of the current Nusselt number prediction technique developed by Kavanau (1955) to accurately predict alumina particle heat transfer rates in solid rocket nozzles and plumes is investigated. For the solid rocket motors SRMS) analyzed, the transitional regime is the dominant regime for the majority of particles in the flowfield. The analytical approach to determine accuracy of the Kavanau correlation utilized the G2R Direct Simulation Monte Carlo code. With this method, both sphere drag, and heat transfer rates were predicted. The sphere drag prediction were compared to the Hermsen, and Henderson drag correlations, while the heat transfer results were compared to the current theory. Results have indicated, that the predicted drag coefficient is bounded by the drag correlations considered. However, the Nusselt number varies significantly from the extrapolated profile through all flowfield regimes.

  12. Cartesian grid simulations of gas-solids flow systems with complex geometry

    SciTech Connect

    Dietiker, Jean-Francois; Li, Tingwen; Garg, Rahul; Shahnam, Mehrdad

    2013-02-01

    Complex geometries encountered in many applications of gas–solids flow need special treatment in most legacy multiphase flow solvers with Cartesian numerical grid. This paper briefly outlines the implementation of a cut cell technique in the open-source multiphase flow solver—MFIX for accurate representation of complex geometries. Specifically, applications of the Cartesian cut cell method to different gas–solids fluidization systems including a small scale bubbling fluidized bed with submerged tube bundle and a complete pilot-scale circulating fluidized bed will be presented. In addition to qualitative predictions on the general flow behaviors inside each system, quantitative comparison with the available experimental data will be presented. Furthermore, some results on extending the current cut-cell technique to Lagrangian–Eulerian simulations will be presented.

  13. Probabilistic Analysis of Solid Oxide Fuel Cell Based Hybrid Gas Turbine System

    NASA Technical Reports Server (NTRS)

    Gorla, Rama S. R.; Pai, Shantaram S.; Rusick, Jeffrey J.

    2003-01-01

    The emergence of fuel cell systems and hybrid fuel cell systems requires the evolution of analysis strategies for evaluating thermodynamic performance. A gas turbine thermodynamic cycle integrated with a fuel cell was computationally simulated and probabilistically evaluated in view of the several uncertainties in the thermodynamic performance parameters. Cumulative distribution functions and sensitivity factors were computed for the overall thermal efficiency and net specific power output due to the uncertainties in the thermodynamic random variables. These results can be used to quickly identify the most critical design variables in order to optimize the design and make it cost effective. The analysis leads to the selection of criteria for gas turbine performance.

  14. Gas-phase synthesis of solid state DNA nanoparticles stabilized by l-leucine.

    PubMed

    Raula, Janne; Hanzlíková, Martina; Rahikkala, Antti; Hautala, Juho; Kauppinen, Esko I; Urtti, Arto; Yliperttula, Marjo

    2013-02-28

    Aerosol flow reactor is used to generate solid-state nanoparticles in a one-step process that is based on drying of aerosol droplets in continuous flow. We investigated the applicability of aerosol flow reactor method to prepare solid state DNA nanoparticles. Precursor solutions of plasmid DNA with or without complexing agent (polyethylenimine), coating material (l-leucine) and mannitol (bulking material) were dispersed to nanosized droplets and instantly dried in laminar heat flow. Particle morphology, integrity and stability were studied by scanning electron microscopy. The stability of DNA was studied by gel electrophoresis. Plasmid DNA as such degraded in the aerosol flow process. Complexing agent protected DNA from degradation and coating material enabled production of dispersed, non-aggregated, nanoparticles. The resulting nanoparticles were spherical and their mean diameter ranged from 65 to 125nm. The nanoparticles were structurally stable at room temperature and their DNA content was about 10%. We present herein the proof of principle for the production of dispersed solid state nanoparticles with relevant size and intact plasmid DNA. PMID:23352859

  15. Use of a solid mixture containing diethylenetriamine/nitric oxide (DETANO) to liberate nitric oxide gas in the presence of horticultural produce to extend postharvest life.

    PubMed

    Wills, R B H; Soegiarto, L; Bowyer, M C

    2007-08-01

    Postharvest treatment of fruit and vegetables with a low concentration of nitric oxide gas can extend postharvest life but application of nitric oxide by release from a gas cylinder is not feasible for many horticultural situations. This paper reports on development of a solid mixture to generate nitric oxide gas in the presence of horticultural produce. The solid NO-donor compound, diethylenetriamine/nitric oxide (DETANO) was found to quantitatively liberate nitric oxide in the presence of a range of acidic substances including citric acid. A solid mixture of DETANO and citric acid with wheat starch added as a filler and moisture absorbent in the ratio of 1:10:20 was found to be stable for at least six months when stored in dry air. However, in humid air, absorption of moisture from the atmosphere led to reaction of DETANO with citric acid and the evolution of nitric oxide gas. When the dry mixture was placed in a container with strawberry and mushroom, the moisture given off by produce activated the mixture and resulted in a similar extension in postharvest life as achieved by direct fumigation with nitric oxide gas. Commercial use of such a solid mixture could be through tablets or sachets which are more manageable in a farm or packing house than gas fumigation. PMID:17604663

  16. Solvent-modified solid-phase microextraction for the determination of diazepam in human plasma samples by capillary gas chromatography.

    PubMed

    Krogh, M; Grefslie, H; Rasmussen, K E

    1997-02-21

    This paper describes microextraction and gas chromatographic analysis of diazepam from human plasma. The method was based on immobilisation of 1.5 microliters of 1-octanol on a polyacrylate-coated fiber designed for solid-phase microextraction. The solvent-modified fibre was used to extract diazepam from the samples. The plasma sample was pre-treated to release diazepam from the protein binding. The fibre was inserted into the modified plasma sample, adjusted to pH 5.5 an internal standard was added and the mixture was carefully stirred for 4 min. The fibre with the immobilised solvent and the enriched analytes was injected into the capillary gas chromatograph. The solvent and the extracted analytes were evaporated at 300 degrees C in the split-splitless injection port of the gas chromatograph, separated on a methylsilicon capillary column and detected with a nitrogen-phosphorus detector. The method was shown to be reproducible with a detection limit of 0.10 nmol/ml in human plasma. PMID:9080322

  17. Remote-Raman and Micro-Raman Studies of Solid CO2, CH4, Gas Hydrates and Ice

    NASA Technical Reports Server (NTRS)

    Sharma, S. K.; Misra, A. K.; Lucey, P. G.; Exarhos, G. J.; Windisch, C. F., Jr.

    2004-01-01

    It is well known that on Mars CO2 is the principal constituent of the thin atmosphere and on a seasonal basis CO2 snow and frost coats the polar caps. Also over 25% of the Martian atmosphere freezes out and sublimes again each year. The Mars Odyssey Emission Imaging system (THEMIS) has discovered water ice exposed near the edge of Mars southern perennials cap. In recent years, it has been suggested that in Martian subsurface CO2 may exist as gas hydrate (8CO2 + 44 H2O) with melting temperature of 10C. Since the crust of Mars has been stable for enough time there is also a possibility that methane formed by magmatic processes and/or as a byproduct of anaerobic deep biosphere activity to have raised toward the planet s surface. This methane would have been captured and stored as methane hydrate, which concentrates methane and water. Determination of abundance and distribution of these ices on the surface and in the near surface are of fundamental importance for understanding Martian atmosphere, and for future exploration of Mars. In this work, we have evaluated feasibility of using remote Raman and micro-Raman spectroscopy as potential nondestructive and non-contact techniques for detecting solid CO2, CH4 gas, and gas hydrates as well as water-ice on planetary surfaces.

  18. Efficiency of energy recovery from municipal solid waste and the resultant effect on the greenhouse gas balance.

    PubMed

    Gohlke, Oliver

    2009-11-01

    Global warming is a focus of political interest and life-cycle assessment of waste management systems reveals that energy recovery from municipal solid waste is a key issue. This paper demonstrates how the greenhouse gas effects of waste treatment processes can be described in a simplified manner by considering energy efficiency indicators. For evaluation to be consistent, it is necessary to use reasonable system boundaries and to take the generation of electricity and the use of heat into account. The new European R1 efficiency criterion will lead to the development and implementation of optimized processes/systems with increased energy efficiency which, in turn, will exert an influence on the greenhouse gas effects of waste management in Europe. Promising technologies are: the increase of steam parameters, reduction of in-plant energy consumption, and the combined use of heat and power. Plants in Brescia and Amsterdam are current examples of good performance with highly efficient electricity generation. Other examples of particularly high heat recovery rates are the energy-from-waste (EfW) plants in Malmö and Gothenburg. To achieve the full potential of greenhouse gas reduction in waste management, it is necessary to avoid landfilling combustible wastes, for example, by means of landfill taxes and by putting incentives in place for increasing the efficiency of EfW systems. PMID:19837705

  19. Importance of network density of nanotube: Effect on nitrogen dioxide gas sensing by solid state resistive sensor

    NASA Astrophysics Data System (ADS)

    Mishra, Prabhash; Grachyova, D. V.; Moskalenko, A. S.; Shcherbak, M. A.; Pavelyev, V. S.

    2016-04-01

    Dispersion of single-walled carbon nanotubes (SWCNTs) is an established fact, however, its effect on toxic gas sensing for the development of solid state resistive sensor was not well reported. In this report, the dispersion quality of SWCNTs has been investigated and improved, and this well-dispersed SWCNTs network was used for sensor fabrication to monitor nitrogen dioxide gas. Ultraviolet (UV)-visible spectroscopic studies shows the strength of SWNTs dispersion and scanning electron microscopy (SEM) imaging provides the morphological properties of the sensor device. In this gas sensor device, two sets of resistive type sensors were fabricated that consisting of a pair of interdigitated electrodes (IDEs) using dielectrophoresis technique with different SWCNTs network density. With low-density SWCNTs networks, this fabricated sensor exhibits a high response for nitrogen dioxide sensing. The sensing of nitrogen dioxide is mainly due to charge transfer from absorbed molecules to sidewalls of nanotube and tube-tube screening acting a major role for the transport properties of charge carriers.

  20. Optimum Operation Condition on Distributed Power Supply System with Micro Gas Turbine/Solid Oxide Fuel Cell

    NASA Astrophysics Data System (ADS)

    Suzuki, Hiroshi; Yamada, Miki; Usui, Hiromoto; Komoda, Yoshiyuki

    In order to find the optimum operation condition of a distributed power supply system of 30kW class micro gas turbine (MGT) and solid oxide fuel cell (SOFC) hybrid system with the combination of line electric power and supplied gas, a system analysis has been performed. In this study, an absorption chiller and a boiler were mounted to utilize the exhausted heat from the MGT/SOFC system. The time variation of energy consumption in 24 hours for house and market models was taken into consideration for the calculation of the energy saving ratio of the present system. The operation ratio defined with the ratio of power supply of MGT/SOFC system to the power required at the peak load was changed as a parameter. From the comparison with the system using line power and gas, it is found that the present system shows high energy saving ratio around 0.4 of the operation ratio, but the energy saving ratio severely decreases in the range of high operation ratio. In this study, it is revealed that the thermal storage system effectively improves the energy saving ratio especially for the house model in winter season.