Advanced Natural Gas Reciprocating Engines(s)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zurlo, James

The ARES program was initiated in 2001 to improve the overall brake thermal efficiency of stationary, natural gas, reciprocating engines. The ARES program is a joint award that is shared by Dresser, Inc., Caterpillar and Cummins. The ARES program was divided into three phases; ARES I (achieve 44% BTE), ARES II (achieve 47% BTE) and ARES III (achieve 50% BTE). Dresser, Inc. completed ARES I in March 2005 which resulted in the commercialization of the APG1000 product line. ARES II activities were completed in September 2010 and the technology developed is currently being integrated into products. ARES III activities beganmore » in October 2010. The ARES program goal is to improve the efficiency of natural gas reciprocating engines. The ARES project is structured in three phases with higher efficiency goals in each phase. The ARES objectives are as follows: 1. Achieve 44% (ARES I), 47% (ARES II), and 50% brake thermal efficiency (BTE) as a final ARES III objective 2. Achieve 0.1 g/bhp-hr NOx emissions (with after-treatment) 3. Reduce the cost of the produced electricity by 10% 4. Improve or maintain reliability, durability and maintenance costs« less

Superamphiphobic Silicon-Nanowire-Embedded Microsystem and In-Contact Flow Performance of Gas and Liquid Streams.

PubMed

Ko, Dong-Hyeon; Ren, Wurong; Kim, Jin-Oh; Wang, Jun; Wang, Hao; Sharma, Siddharth; Faustini, Marco; Kim, Dong-Pyo

2016-01-26

Gas and liquid streams are invariably separated either by a solid wall or by a membrane for heat or mass transfer between the gas and liquid streams. Without the separating wall, the gas phase is present as bubbles in liquid or, in a microsystem, as gas plugs between slugs of liquid. Continuous and direct contact between the two moving streams of gas and liquid is quite an efficient way of achieving heat or mass transfer between the two phases. Here, we report a silicon nanowire built-in microsystem in which a liquid stream flows in contact with an underlying gas stream. The upper liquid stream does not penetrate into the lower gas stream due to the superamphiphobic nature of the silicon nanowires built into the bottom wall, thereby preserving the integrity of continuous gas and liquid streams, although they are flowing in contact. Due to the superamphiphobic nature of silicon nanowires, the microsystem provides the best possible interfacial mass transfer known to date between flowing gas and liquid phases, which can achieve excellent chemical performance in two-phase organic syntheses.

Enhancement of mercury capture by the simultaneous addition of hydrogen bromide (HBr) and fly ashes in a slipstream facility.

PubMed

Cao, Yan; Wang, Quan-Hai; Li, Jun; Cheng, Jen-Chieh; Chan, Chia-Chun; Cohron, Marten; Pan, Wei-Ping

2009-04-15

Low halogen content in tested Powder River Basin (PRB) coals and low loss of ignition content (LOI) in PRB-derived fly ash were likely responsible for higher elemental mercury content (averaging about 75%) in the flue gas and also lower mercury capture efficiency by electrostatic precipitator (ESP) and wet-FGD. To develop a cost-effective approach to mercury capture in a full-scale coal-fired utility boiler burning PRB coal, experiments were conducted adding hydrogen bromide (HBr) or simultaneously adding HBr and selected fly ashes in a slipstream reactor (0.152 x 0.152 m) under real flue gas conditions. The residence time of the flue gas inside the reactorwas about 1.4 s. The average temperature of the slipstream reactor was controlled at about 155 degrees C. Tests were organized into two phases. In Phase 1, only HBr was added to the slipstream reactor, and in Phase 2, HBr and selected fly ash were added simultaneously. HBr injection was effective (>90%) for mercury oxidation at a low temperature (155 degrees C) with an HBr addition concentration of about 4 ppm in the flue gas. Additionally, injected HBr enhanced mercury capture by PRB fly ash in the low-temperature range. The mercury capture efficiency, attesting conditions of the slipstream reactor, reached about 50% at an HBr injection concentration of 4 ppm in the flue gas. Compared to only the addition of HBr, simultaneously adding bituminous-derived fly ash in a minimum amount (30 lb/MMacf), together with HBr injection at 4 ppm, could increase mercury capture efficiency by 30%. Injection of lignite-derived fly ash at 30 lb/MMacf could achieve even higher mercury removal efficiency (an additional 35% mercury capture efficiency compared to HBr addition alone).

Generation of ozone by pulsed corona discharge over water surface in hybrid gas liquid electrical discharge reactor

NASA Astrophysics Data System (ADS)

Lukes, Petr; Clupek, Martin; Babicky, Vaclav; Janda, Vaclav; Sunka, Pavel

2005-02-01

Ozone formation by a pulse positive corona discharge generated in the gas phase between a planar high voltage electrode made from reticulated vitreous carbon and a water surface with an immersed ground stainless steel plate electrode was investigated under various operating conditions. The effects of gas flow rate (0.5-3 litre min-1), discharge gap spacing (2.5-10 mm), applied input power (2-45 W) and gas composition (oxygen containing argon or nitrogen) on ozone production were determined. Ozone concentration increased with increasing power input and with increasing discharge gap. The production of ozone was significantly affected by the presence of water vapour formed through vaporization of water at the gas-liquid interface by the action of the gas phase discharge. The highest energy efficiency for ozone production was obtained using high voltage pulses of approximately 150 ns duration in Ar/O2 mixtures with the maximum efficiency (energy yield) of 23 g kW h-1 for 40% argon content.

Energy Conversion Alternatives Study (ECAS), Westinghouse phase 1. Volume 5: Combined gas-steam turbine cycles. [energy conversion efficiency in electric power plants

NASA Technical Reports Server (NTRS)

Amos, D. J.; Foster-Pegg, R. W.; Lee, R. M.

1976-01-01

The energy conversion efficiency of gas-steam turbine cycles was investigated for selected combined cycle power plants. Results indicate that it is possible for combined cycle gas-steam turbine power plants to have efficiencies several point higher than conventional steam plants. Induction of low pressure steam into the steam turbine is shown to improve the plant efficiency. Post firing of the boiler of a high temperature combined cycle plant is found to increase net power but to worsen efficiency. A gas turbine pressure ratio of 12 to 1 was found to be close to optimum at all gas turbine inlet temperatures that were studied. The coal using combined cycle plant with an integrated low-Btu gasifier was calculated to have a plant efficiency of 43.6%, a capitalization of $497/kW, and a cost of electricity of 6.75 mills/MJ (24.3 mills/kwh). This combined cycle plant should be considered for base load power generation.

Action-FRET of a Gaseous Protein

NASA Astrophysics Data System (ADS)

Daly, Steven; Knight, Geoffrey; Halim, Mohamed Abdul; Kulesza, Alexander; Choi, Chang Min; Chirot, Fabien; MacAleese, Luke; Antoine, Rodolphe; Dugourd, Philippe

2017-01-01

Mass spectrometry is an extremely powerful technique for analysis of biological molecules, in particular proteins. One aspect that has been contentious is how much native solution-phase structure is preserved upon transposition to the gas phase by soft ionization methods such as electrospray ionization. To address this question—and thus further develop mass spectrometry as a tool for structural biology—structure-sensitive techniques must be developed to probe the gas-phase conformations of proteins. Here, we report Förster resonance energy transfer (FRET) measurements on a ubiquitin mutant using specific photofragmentation as a reporter of the FRET efficiency. The FRET data is interpreted in the context of circular dichroism, molecular dynamics simulation, and ion mobility data. Both the dependence of the FRET efficiency on the charge state—where a systematic decrease is observed—and on methanol concentration are considered. In the latter case, a decrease in FRET efficiency with methanol concentration is taken as evidence that the conformational ensemble of gaseous protein cations retains a memory of the solution phase conformational ensemble upon electrospray ionization.

CFD simulation of gas and non-Newtonian fluid two-phase flow in anaerobic digesters.

PubMed

Wu, Binxin

2010-07-01

This paper presents an Eulerian multiphase flow model that characterizes gas mixing in anaerobic digesters. In the model development, liquid manure is assumed to be water or a non-Newtonian fluid that is dependent on total solids (TS) concentration. To establish the appropriate models for different TS levels, twelve turbulence models are evaluated by comparing the frictional pressure drops of gas and non-Newtonian fluid two-phase flow in a horizontal pipe obtained from computational fluid dynamics (CFD) with those from a correlation analysis. The commercial CFD software, Fluent12.0, is employed to simulate the multiphase flow in the digesters. The simulation results in a small-sized digester are validated against the experimental data from literature. Comparison of two gas mixing designs in a medium-sized digester demonstrates that mixing intensity is insensitive to the TS in confined gas mixing, whereas there are significant decreases with increases of TS in unconfined gas mixing. Moreover, comparison of three mixing methods indicates that gas mixing is more efficient than mixing by pumped circulation while it is less efficient than mechanical mixing.

Advanced Natural Gas Reciprocating Engine(s)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pike, Edward

The objective of the Cummins ARES program, in partnership with the US Department of Energy (DOE), is to develop advanced natural gas engine technologies that increase engine system efficiency at lower emissions levels while attaining lower cost of ownership. The goals of the project are to demonstrate engine system achieving 50% Brake Thermal Efficiency (BTE) in three phases, 44%, 47% and 50% (starting baseline efficiency at 36% BTE) and 0.1 g/bhp-hr NOx system out emissions (starting baseline NOx emissions at 2 – 4 g/bhp-hr NOx). Primary path towards above goals include high Brake Mean Effective Pressure (BMEP), improved closed cyclemore » efficiency, increased air handling efficiency and optimized engine subsystems. Cummins has successfully demonstrated each of the phases of this program. All targets have been achieved through application of a combined set of advanced base engine technologies and Waste Heat Recovery from Charge Air and Exhaust streams, optimized and validated on the demonstration engine and other large engines. The following architectures were selected for each Phase: Phase 1: Lean Burn Spark Ignited (SI) Key Technologies: High Efficiency Turbocharging, Higher Efficiency Combustion System. In production on the 60/91L engines. Over 500MW of ARES Phase 1 technology has been sold. Phase 2: Lean Burn Technology with Exhaust Waste Heat Recovery (WHR) System Key Technologies: Advanced Ignition System, Combustion Improvement, Integrated Waste Heat Recovery System. Base engine technologies intended for production within 2 to 3 years Phase 3: Lean Burn Technology with Exhaust and Charge Air Waste Heat Recovery System Key Technologies: Lower Friction, New Cylinder Head Designs, Improved Integrated Waste Heat Recovery System. Intended for production within 5 to 6 years Cummins is committed to the launch of next generation of large advanced NG engines based on ARES technology to be commercialized worldwide.« less

C-terminal peptide extension via gas-phase ion/ion reactions

PubMed Central

Peng, Zhou; McLuckey, Scott A.

2015-01-01

The formation of peptide bonds is of great importance from both a biological standpoint and in routine organic synthesis. Recent work from our group demonstrated the synthesis of peptides in the gas-phase via ion/ion reactions with sulfo-NHS reagents, which resulted in conjugation of individual amino acids or small peptides to the N-terminus of an existing ‘anchor’ peptide. Here, we demonstrate a complementary approach resulting in the C-terminal extension of peptides. Individual amino acids or short peptides can be prepared as reagents by incorporating gas phase-labile protecting groups to the reactive C-terminus and then converting the N-terminal amino groups to the active ketenimine reagent. Gas-phase ion/ion reactions between the anionic reagents and doubly protonated “anchor” peptide cations results in extension of the “anchor” peptide with new amide bond formation at the C-terminus. We have demonstrated that ion/ion reactions can be used as a fast, controlled, and efficient means for C-terminal peptide extension in the gas phase. PMID:26640400

Formation of complex organic molecules in cold objects: the role of gas-phase reactions

NASA Astrophysics Data System (ADS)

Balucani, Nadia; Ceccarelli, Cecilia; Taquet, Vianney

2015-04-01

While astrochemical models are successful in reproducing many of the observed interstellar species, they have been struggling to explain the observed abundances of complex organic molecules. Current models tend to privilege grain surface over gas-phase chemistry in their formation. One key assumption of those models is that radicals trapped in the grain mantles gain mobility and react on lukewarm ( ≳ 30 K) dust grains. Thus, the recent detections of methyl formate (MF) and dimethyl ether (DME) in cold objects represent a challenge and may clarify the respective role of grain-surface and gas-phase chemistry. We propose here a new model to form DME and MF with gas-phase reactions in cold environments, where DME is the precursor of MF via an efficient reaction overlooked by previous models. Furthermore, methoxy, a precursor of DME, is also synthesized in the gas phase from methanol, which is desorbed by a non-thermal process from the ices. Our new model reproduces fairly well the observations towards L1544. It also explains, in a natural way, the observed correlation between DME and MF. We conclude that gas-phase reactions are major actors in the formation of MF, DME and methoxy in cold gas. This challenges the exclusive role of grain-surface chemistry and favours a combined grain-gas chemistry.

Precipitation scavenging of polychlorinated biphenyl congeners in the great lakes region

NASA Astrophysics Data System (ADS)

Murray, Michael W.; Andren, Anders W.

Ten precipitation events were sampled in the fall of 1986 in Madison, WI and analyzed for individual congener and total polychlorinated biphenyl (PCB) levels in both the dissolved and particulate phases. Total PCB concentrations were generally at the lower end of ranges recently reported for precipitation. Operationally defined dissolved and particulate phase congener distribution patterns for the two events of highest concentration were qualitatively similar to gas-phase and particle-bound patterns for northern Wisconsin air samples. Higher than predicted dissolved-phase concentrations may indicate non-equilibrium processes during scavenging and/or sample processing, the presence of colloids and micro-particulates, and/or more efficient gas-phase transfer to hydrometeors with organic coatings. Observed organic carbon-normalized distribution coefficients increased slightly with increasing octanol-water partition coefficient, giving the relationship log Koc = 0.22 log Kow + 4.64. The data indicate that a third organic-rich colloidal phase could be influencing partitioning, and could explain the higher than expected apparent gas scavenging efficiency for PCBs from the atmosphere. Precipitation-weighted mean fluxes of PCBs in the dissolved and particulate phases were 1.2 and 1.4 μg m -2 year -1, respectively, indicating that precipitation remains a significant source of PCBs to the upper Great Lakes.

Enhancement of organic matter degradation and methane gas production of anaerobic granular sludge by degasification of dissolved hydrogen gas.

PubMed

Satoh, Hisashi; Bandara, Wasala M K R T W; Sasakawa, Manabu; Nakahara, Yoshihito; Takahashi, Masahiro; Okabe, Satoshi

2017-11-01

A hollow fiber degassing membrane (DM) was applied to enhance organic matter degradation and methane gas production of anaerobic granular sludge process by reducing the dissolved hydrogen gas (D-H 2 ) concentration in the liquid phase. DM was installed in the bench-scale anaerobic granular sludge reactors and D-H 2 was removed through DM using a vacuum pump. Degasification improved the organic matter degradation efficiency to 79% while the efficiency was 62% without degasification at 12,000mgL -1 of the influent T-COD concentration. Measurement of D-H 2 concentrations in the liquid phase confirmed that D-H 2 was removed by degasification. Furthermore, the effect of acetate concentrations on the organic matter degradation efficiency was investigated. At acetate concentrations above 3gL -1 , organic matter degradation deteriorated. Degasification enhanced the propionate and acetate degradation. These results suggest that degasification reduced D-H 2 concentration and volatile fatty acids concentrations, prevented pH drop, and subsequent enhanced organic matter degradation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Energy Conversion Alternatives Study (ECAS), Westinghouse phase 1. Volume 6: Closed-cycle gas turbine systems. [energy conversion efficiency in electric power plants

NASA Technical Reports Server (NTRS)

Amos, D. J.; Fentress, W. K.; Stahl, W. F.

1976-01-01

Both recuperated and bottomed closed cycle gas turbine systems in electric power plants were studied. All systems used a pressurizing gas turbine coupled with a pressurized furnace to heat the helium for the closed cycle gas turbine. Steam and organic vapors are used as Rankine bottoming fluids. Although plant efficiencies of over 40% are calculated for some plants, the resultant cost of electricity was found to be 8.75 mills/MJ (31.5 mills/kWh). These plants do not appear practical for coal or oil fired plants.

3D CFD simulation of Multi-phase flow separators

NASA Astrophysics Data System (ADS)

Zhu, Zhiying

2017-10-01

During the exploitation of natural gas, some water and sands are contained. It will be better to separate water and sands from natural gas to insure favourable transportation and storage. In this study, we use CFD to analyse the effect of multi-phase flow separator, whose detailed geometrical parameters are designed in advanced. VOF model and DPM are used here. From the results of CFD, we can draw a conclusion that separated effect of multi-phase flow achieves better results. No solid and water is carried out from gas outlet. CFD simulation provides an economical and efficient approach to shed more light on details of the flow behaviour.

Photocatalytic Activity of Nanotubular TiO2 Films Obtained by Anodic Oxidation: A Comparison in Gas and Liquid Phase

PubMed Central

Sanabria Arenas, Beatriz Eugenia; Schiavi, Luca; Russo, Valeria; Pedeferri, MariaPia

2018-01-01

The availability of immobilized nanostructured photocatalysts is of great importance in the purification of both polluted air and liquids (e.g., industrial wastewaters). Metal-supported titanium dioxide films with nanotubular morphology and good photocatalytic efficiency in both environments can be produced by anodic oxidation, which avoids release of nanoscale materials in the environment. Here we evaluate the effect of different anodizing procedures on the photocatalytic activity of TiO2 nanostructures in gas and liquid phases, in order to identify the most efficient and robust technique for the production of TiO2 layers with different morphologies and high photocatalytic activity in both phases. Rhodamine B and toluene were used as model pollutants in the two media, respectively. It was found that the role of the anodizing electrolyte is particularly crucial, as it provides substantial differences in the oxide specific surface area: nanotubular structures show remarkably different activities, especially in gas phase degradation reactions, and within nanotubular structures, those produced by organic electrolytes lead to better photocatalytic activity in both conditions tested. PMID:29587360

Microscopic aspects of wetting using classical density functional theory

NASA Astrophysics Data System (ADS)

Yatsyshin, P.; Durán-Olivencia, M.-A.; Kalliadasis, S.

2018-07-01

Wetting is a rather efficient mechanism for nucleation of a phase (typically liquid) on the interface between two other phases (typically solid and gas). In many experimentally accessible cases of wetting, the interplay between the substrate structure, and the fluid–fluid and fluid–substrate intermolecular interactions brings about an entire ‘zoo’ of possible fluid configurations, such as liquid films with a thickness of a few nanometers, liquid nanodrops and liquid bridges. These fluid configurations are often associated with phase transitions occurring at the solid–gas interface and at lengths of just several molecular diameters away from the substrate. In this special issue article, we demonstrate how a fully microscopic classical density-functional framework can be applied to the efficient, rational and systematic exploration of the rich phase space of wetting phenomena. We consider a number of model prototype systems such as wetting on a planar wall, a chemically patterned wall and a wedge. Through density-functional computations we demonstrate that for these simply structured substrates the behaviour of the solid–gas interface is already highly complex and non-trivial.

[Separation of PM2.5 from coal combustion with phase change].

PubMed

Yan, Jin-pei; Yang, Lin-jun; Zhang, Xia; Sun, Lu-juan; Zhang, Yu; Shen, Xiang-lin

2008-12-01

The influence of two methods of gas moisture conditioning on removal efficiency of PM2.5 from coal combustion with addition of atomized droplets and steam was investigated. The particles size distribution and number concentration were measured in real time by electrical low pressure impactor (ELPI). The results show that collection efficiency of PM2.5 from coal combustion can be highly improved with steam condensational enlargement. Particle stage collection efficiency increases with the particles, especially for those smaller than 0.3 microm. The separation efficiency can be improved by 60% with the size of particles increasing from 0.03 microm to 0.3 microm for 0.1 kg/m3 of steam addition. The removal efficiency is independent of the gas temperature at the inlet of conditioning chamber for steam addition. But it increases with the gas temperature obviously for atomized droplets addition, which can be improved by 30% with increasing gas temperature from 136 degrees C to 256 degrees C. High removal efficiency of PM2.5 from coal combustion can be obtained with atomized droplets evaporation in hot flue gas except for steam addition.

Gas network model allows full reservoir coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Methnani, M.M.

The gas-network flow model (Gasnet) developed for and added to an existing Qatar General Petroleum Corp. (OGPC) in-house reservoir simulator, allows improved modeling of the interaction among the reservoir, wells, and pipeline networks. Gasnet is a three-phase model that is modified to handle gas-condensate systems. The numerical solution is based on a control volume scheme that uses the concept of cells and junctions, whereby pressure and phase densities are defined in cells, while phase flows are defined at junction links. The model features common numerical equations for the reservoir, the well, and the pipeline components and an efficient state-variable solutionmore » method in which all primary variables including phase flows are solved directly. Both steady-state and transient flow events can be simulated with the same tool. Three test cases show how the model runs. One case simulates flow redistribution in a simple two-branch gas network. The second simulates a horizontal gas well in a waterflooded gas reservoir. The third involves an export gas pipeline coupled to a producing reservoir.« less

Energy Conversion Alternatives Study (ECAS), General Electric Phase 1. Volume 2: Advanced energy conversion systems. Part 1: Open-cycle gas turbines

NASA Technical Reports Server (NTRS)

Brown, D. H.; Corman, J. C.

1976-01-01

Ten energy conversion systems are defined and analyzed in terms of efficiency. These include: open-cycle gas turbine recuperative; open-cycle gas turbine; closed-cycle gas turbine; supercritical CO2 cycle; advanced steam cycle; liquid metal topping cycle; open-cycle MHD; closed-cycle inert gas MHD; closed-cycle liquid metal MHD; and fuel cells. Results are presented.

Synergistic effects of liquid and gas phase discharges using pulsed high voltage for dyes degradation in the presence of oxygen.

PubMed

Yang, Bin; Zhou, Minghua; Lei, Lecheng

2005-07-01

The technology of combined liquid and gas phase discharges (LGD) using pulsed high voltage for dyes degradation was developed in this study. Apparent synergistic effects for Acid orange II (AO) degradation in the presence of oxygen were observed. The enhancement of AO degradation rate was around 302%. Furthermore, higher energy efficiency was obtained comparing with individual liquid phase discharge (LD) or gas phase discharge process (GD). The AO degradation in the presence of oxygen by LGD proceeded through the direct ozone oxidation and the ozone decomposition induced by LD. Important operating parameters such as electrode distance, applied voltage, pulse repetition rate, and types of dyes were further investigated.

Performance estimation of a Venturi scrubber using a computational model for capturing dust particles with liquid spray.

PubMed

Pak, S I; Chang, K S

2006-12-01

A Venturi scrubber has dispersed three-phase flow of gas, dust, and liquid. Atomization of a liquid jet and interaction between the phases has a large effect on the performance of Venturi scrubbers. In this study, a computational model for the interactive three-phase flow in a Venturi scrubber has been developed to estimate pressure drop and collection efficiency. The Eulerian-Lagrangian method is used to solve the model numerically. Gas flow is solved using the Eulerian approach by using the Navier-Stokes equations, and the motion of dust and liquid droplets, described by the Basset-Boussinesq-Oseen (B-B-O) equation, is solved using the Lagrangian approach. This model includes interaction between gas and droplets, atomization of a liquid jet, droplet deformation, breakup and collision of droplets, and capture of dust by droplets. A circular Pease-Anthony Venturi scrubber was simulated numerically with this new model. The numerical results were compared with earlier experimental data for pressure drop and collection efficiency, and gave good agreements.

Plasma induced degradation of Indigo Carmine by bipolar pulsed dielectric barrier discharge(DBD) in the water-air mixture.

PubMed

Zhang, Ruo-Bing; Wu, Yan; Li, Guo-Feng; Wang, Ning-Hui; Li, Jie

2004-01-01

Degradation of the Indigo Carmine (IC) by the bipolar pulsed DBD in water-air mixture was studied. Effects of various parameters such as gas flow rate, solution conductivity, pulse repetitive rate and ect., on color removal efficiency of dying wastewater were investigated. Concentrations of gas phase o3 and aqueous phase H2O2 under various conditions were measured. Experimental results showed that air bubbling facilitates the breakdown of water and promotes generation of chemically active species. Color removal efficiency of IC solution can be greatly improved by the air aeration under various solution conductivities. Decolorization efficiency increases with the increase of the gas flow rate, and decreases with the increase of the initial solution conductivity. A higher pulse repetitive rate and a larger pulse capacitor C(p) are favorable for the decolorization process. Ozone and hydrogen peroxide formed decreases with the increase of initial solution conductivity. In addition, preliminary analysis of the decolorization mechanisms is given.

Yb-doped large-mode-area laser fiber fabricated by halide-gas-phase-doping technique

NASA Astrophysics Data System (ADS)

Peng, Kun; Wang, Yuying; Ni, Li; Wang, Zhen; Gao, Cong; Zhan, Huan; Wang, Jianjun; Jing, Feng; Lin, Aoxiang

2015-06-01

In this manuscript, we designed a rare-earth-halide gas-phase-doping setup to fabricate a large-mode-area fiber for high power laser applications. YbCl3 and AlCl3 halides are evaporated, carried respectively and finally mixed with usual host gas material SiCl4 at the hot zone of MCVD system. Owing to the all-gas-phasing reaction process and environment, the home-made Yb-doped fiber preform has a homogeneous large core and modulated refractive index profile to keep high beam quality. The drawn fiber core has a small numerical aperture of 0.07 and high Yb concentration of 9500 ppm. By using a master oscillator power amplifier system, nearly kW-level (951 W) laser output power was obtained with a slope efficiency of 83.3% at 1063.8 nm, indicating the competition and potential of the halide-gas-phase-doping technique for high power laser fiber fabrication.

Millimeter Astronomy at High Redshift

NASA Astrophysics Data System (ADS)

Decarli, Roberto

2017-11-01

Our understanding of galaxy formation and evolution critically depends on our ability of exposing the properties of the gaseous content of galaxies throughout cosmic history: how much gas is there, in which phase (ionized, atomic, molecular?), in which physical conditions (temperature, density), how efficiently does it turn into stars? We are now entering an exciting era where these questions can be addressed via observations of various gas tracers, especially at mm and sub-mm wavelengths. I will review how to observe various gas phases at high redshift, and discuss lessons we have learned so far from campaigns aimed at characterizing the gas content in galaxies in various cosmic epochs.

ASSESSMENT OF BIOFILTER MEDIA PARTICLE SIZES FOR REMOVING AMMONIA

USDA-ARS?s Scientific Manuscript database

With increased concerns over odor and gas emissions from livestock production facilities more efficient technologies of air pollution control are needed to mitigate the deleterious effects of air contaminants. Gas-phase biofilters for treating contaminant gases from poultry and livestock operations ...

Assessment of Biofilter Media Particle Sizes for Removing Ammonia

USDA-ARS?s Scientific Manuscript database

With increased concerns over odor and gas emissions from livestock production facilities more efficient technologies of air pollution control are needed to mitigate the deleterious effects of air contaminants. Gas-phase biofilters for treating contaminant gases from poultry and livestock operations ...

Biofiltration of isopentane in peat and compost packed beds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Z.; Govind, R.

1997-05-01

Commercially available biofiltration systems have used natural bioactive materials in packed beds due to low media cost and easy availability. Detailed understanding and modeling of biofiltration systems are lacking in existing literature. Experimental studies on the isopentane treatment in air using peat- and compost-packed beds were conducted with inlet isopentane concentrations of 360 to 960 ppmv, and empty-bed gas-phase residence times of 2 to 10 min. High removal efficiencies (>90%) were achieved at low contaminant concentrations (<500 ppmv) and large empty-bed gas-phase residence times (>8 min). For both peat and compost biofilters, there was an optimal water content that gavemore » the highest removal efficiency. For higher water content, mass transfer of isopentane through the liquid phase controlled the biofiltration removal efficiency. At low water content, irreversible changes in the bioactivity of peat and compost occurred, resulting in an irrecoverable loss of removal efficiency. Increases in biofilter bed temperature from 25 to 40 C improved the removal efficiency. A mathematical model incorporating the effect of water content and temperature was developed to describe the packed-bed biofilter performance. Model predictions agreed closely with experimental data.« less

Solid State Energy Conversion Energy Alliance (SECA)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hennessy, Daniel; Sibisan, Rodica; Rasmussen, Mike

2011-09-12

The overall objective is to develop a Solid Oxide Fuel Cell (SOFC) stack that can be economically produced in high volumes and mass customized for different applications in transportation, stationary power generation, and military market sectors. In Phase I, work will be conducted on system design and integration, stack development, and development of reformers for natural gas and gasoline. Specifically, Delphi-Battelle will fabricate and test a 5 kW stationary power generation system consisting of a SOFC stack, a steam reformer for natural gas, and balance-of-plant (BOP) components, having an expected efficiency of ≥ 35 percent (AC/LHV). In Phase II andmore » Phase III, the emphasis will be to improve the SOFC stack, reduce start-up time, improve thermal cyclability, demonstrate operation on diesel fuel, and substantially reduce materials and manufacturing cost by integrating several functions into one component and thus reducing the number of components in the system. In Phase II, Delphi-Battelle will fabricate and demonstrate two SOFC systems: an improved stationary power generation system consisting of an improved SOFC stack with integrated reformation of natural gas, and the BOP components, with an expected efficiency of ≥ 40 percent (AC/LHV), and a mobile 5 kW system for heavy-duty trucks and military power applications consisting of an SOFC stack, reformer utilizing anode tailgate recycle for diesel fuel, and BOP components, with an expected efficiency of ≥ 30 percent (DC/LHV). Finally, in Phase III, Delphi-Battelle will fabricate and test a 5 kW Auxiliary Power Unit (APU) for mass-market automotive application consisting of an optimized SOFC stack, an optimized catalytic partial oxidation (CPO) reformer for gasoline, and BOP components, having an expected efficiency of ≥ 30 percent (DC/LHV) and a factory cost of ≤ $400/kW.« less

A microfluidic device for open loop stripping of volatile organic compounds.

PubMed

Cvetković, Benjamin Z; Dittrich, Petra S

2013-03-01

The detection of volatile organic compounds is of great importance for assessing the quality of water. In this contribution, we describe a miniaturized stripping device that allows fast online detection of organic solvents in water. The core component is a glass microfluidic chip that facilitates the creation of an annular-flowing stream of water and nitrogen gas. Volatile compounds are transferred efficiently from the water into the gas phase along the microfluidic pathway at room temperature within less than 5 s. Before exiting the microchip, the liquid phase is separated from the enriched gas phase by incorporating side capillaries through which the hydrophilic water phase is withdrawn. The gas phase is conveniently collected at the outlet reservoir by tubing. Finally, a semiconductor gas sensor analyzes the concentration of (volatile) organic compounds in the nitrogen gas. The operation and use of the stripping device is demonstrated for the organic solvents THF, 1-propanol, toluene, ethylbenzene, benzaldehyde, and methanol. The mobile, inexpensive, and continuously operating system with liquid flow rates in the low range of microliters per minute can be connected to other detectors or implemented in chemical production line for process control.

Recent progress of chiral stationary phases for separation of enantiomers in gas chromatography.

PubMed

Xie, Sheng-Ming; Yuan, Li-Ming

2017-01-01

Chromatography techniques based on chiral stationary phases are widely used for the separation of enantiomers. In particular, gas chromatography has developed rapidly in recent years due to its merits such as fast analysis speed, lower consumption of stationary phases and analytes, higher column efficiency, making it a better choice for chiral separation in diverse industries. This article summarizes recent progress of novel chiral stationary phases based on cyclofructan derivatives and chiral porous materials including chiral metal-organic frameworks, chiral porous organic frameworks, chiral inorganic mesoporous materials, and chiral porous organic cages in gas chromatography, covering original research papers published since 2010. The chiral recognition properties and mechanisms of separation toward enantiomers are also introduced. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dimerization and conformation-related free energy landscapes of dye-tagged amyloid-β12-28 linked to FRET experiments.

PubMed

Kulesza, Alexander; Daly, Steven; Dugourd, Philippe

2017-04-05

We have investigated the free energy landscape of Aβ-peptide dimer models in connection to gas-phase FRET experiments. We use a FRET-related distance coordinate and one conformation-related coordinate per monomer for accelerated structural exploration with well-tempered metadynamics in solvent and in vacuo. The free energy profiles indicate that FRET under equilibrium conditions should be significantly affected by the de-solvation upon the transfer of ions to the gas-phase. In contrast, a change in the protonation state is found to be less impacting once de-solvated. Comparing F19P and WT alloforms, for which we measure different FRET efficiencies in the gas-phase, we predict only the relevant structural differences in the solution populations, not under gas-phase equilibrium conditions. This finding supports the hypothesis that the gas-phase action-FRET measurement after ESI operates under non-equilibrium conditions, with a memory of the solution conditions - even for the dimer of this relatively short peptide. The structural differences in solution are rationalized in terms of conformational propensities around residue 19, which show a transition to a poly-proline type of pattern upon mutation to F19P - a difference that gets lost in the gas-phase.

Hg⁰ removal from flue gas by ionic liquid/H₂O₂.

PubMed

Cheng, Guangwen; Bai, Bofeng; Zhang, Qiang; Cai, Ming

2014-09-15

1-Alkyl-3-methylimidazolium chloride ionic liquids ([Cnmim] Cl, n=4, 6, 8) were prepared. The ionic liquid was then mixed with hydrogen peroxide (H2O2) to form an absorbent. The Hg(0) removal performance of the absorbent was investigated in a gas/liquid scrubber using simulated flue gas. It was found that the ionic liquid/H2O2 mixture was an excellent absorbent and could be used to remove Hg(0) from flue gas. When the mass ratio of H2O2 to ionic liquid was 0.5, the absorbent showed high Hg(0) removal efficiency (up to 98%). The Hg(0) removal efficiency usually increased with the absorption temperature, while decreased with the increase of alkyl chain length in ionic liquid molecule. The Hg(0) removal mechanism involved with Hg(0) oxidation by H2O2 and Hg(2+) transfer from aqueous phase to ionic liquid phase. Copyright © 2014 Elsevier B.V. All rights reserved.

Conversion of laser energy to gas kinetic energy

NASA Technical Reports Server (NTRS)

Caledonia, G. E.

1976-01-01

Techniques for the gas phase absorption of laser radiation for ultimate conversion to gas kinetic energy are discussed. Particular emphasis is placed on absorption by the vibration rotation bands of diatomic molecules at high pressures. This high pressure absorption appears to offer efficient conversion of laser energy to gas translational energy. Bleaching and chemical effects are minimized and the variation of the total absorption coefficient with temperature is minimal.

A new submarine oil-water separation system

NASA Astrophysics Data System (ADS)

Cai, Wen-Bin; Liu, Bo-Hong

2017-12-01

In order to solve the oil field losses of environmental problems and economic benefit caused by the separation of lifting production liquid to offshore platforms in the current offshore oil production, from the most basic separation principle, a new oil-water separation system has been processed of adsorption and desorption on related materials, achieving high efficiency and separation of oil and water phases. And the submarine oil-water separation device has been designed. The main structure of the device consists of gas-solid phase separation device, period separating device and adsorption device that completed high efficiency separation of oil, gas and water under the adsorption and desorption principle, and the processing capacity of the device is calculated.

Design of compact dispersion interferometer with a high efficiency nonlinear crystal and a low power CO2 laser

NASA Astrophysics Data System (ADS)

Akiyama, T.; Yoshimura, S.; Tomita, K.; Shirai, N.; Murakami, T.; Urabe, K.

2017-12-01

When the electron density of a plasma generated in high pressure environment is measured by a conventional interferometer, the phase shifts due to changes of the neutral gas density cause significant measurement errors. A dispersion interferometer, which measures the phase shift that arises from dispersion of medium between the fundamental and the second harmonic wavelengths of laser light, can suppress the measured phase shift due to the variations of neutral gas density. In recent years, the CO2 laser dispersion interferometer has been applied to the atmospheric pressure plasmas and its feasibility has been demonstrated. By combining a low power laser and a high efficiency nonlinear crystal for the second harmonic component generation, a compact dispersion interferometer can be designed. The optical design and preliminary experiments are conducted.

Diamine-Appended Mg 2 (dobpdc) Nanorods as Phase-Change Fillers in Mixed-Matrix Membranes for Efficient CO 2/N 2 Separations

DOE PAGES

Maserati, Lorenzo; Meckler, Stephen M.; Bachman, Jonathan E.; ...

2017-10-18

Despite the availability of chemistries to tailor the pore architectures of microporous polymer membranes for chemical separations, trade-offs in permeability and selectivity with functional group manipulations nevertheless persist, which ultimately places an upper bound on membrane performance. We introduce a new design strategy to uncouple these attributes of the membrane. Key to our success is the incorporation of phase-change metal-organic frameworks (MOFs) into the polymer matrix, which can be used to increase the solubility of a specific gas in the membrane, and thereby its permeability. We further show that it is necessary to scale the size of the phase-change MOFmore » to nanoscopic dimensions, in order to take advantage of this effect in a gas separation. Our observation of an increase in solubility and permeability of only one of the gases during steady-state permeability measurements suggests fast exchange between free and chemisorbed gas molecules within the MOF pores. While the kinetics of this exchange in phase-change MOFs are not yet fully understood, their role in enhancing the efficacy and efficiency of the separation is clearly a compelling new direction for membrane technology.« less

VOLATILIZATION RATES FROM WATER TO INDOOR AIR ...

EPA Pesticide Factsheets

Contaminated water can lead to volatilization of chemicals to residential indoor air. Previous research has focused on only one source (shower stalls) and has been limited to chemicals in which gas-phase resistance to mass transfer is of marginal significance. As a result, attempts to extrapolate chemical emissions from high-volatility chemicals to lower volatility chemicals, or to sources other than showers, have been difficult or impossible. This study involved the development of two-phase, dynamic mass balance models for estimating chemical emissions from washing machines, dishwashers, and bathtubs. An existing model was adopted for showers only. Each model required the use of source- and chemical-specific mass transfer coefficients. Air exchange (ventilation) rates were required for dishwashers and washing machines as well. These parameters were estimated based on a series of 113 experiments involving 5 tracer chemicals (acetone, ethyl acetate, toluene, ethylbenzene, and cyclohexane) and 4 sources (showers, bathtubs, washing machines, and dishwashers). Each set of experiments led to the determination of chemical stripping efficiencies and mass transfer coefficients (overall, liquid-phase, gas-phase), and to an assessment of the importance of gas- phase resistance to mass transfer. Stripping efficiencies ranged from 6.3% to 80% for showers, 2.6% to 69% for bathtubs, 18% to 100% for dishwashers, and 3.8% to 100% for washing machines. Acetone and cyclohexane al

Chemical models of interstellar gas-grain processes. II - The effect of grain-catalysed methane on gas phase evolution

NASA Technical Reports Server (NTRS)

Brown, Paul D.; Charnley, S. B.

1991-01-01

The effects on gas phase chemistry which result from the continuous desorption of methane molecules from grain surfaces are studied. Significant and sustained enhancements in the abundances of several complex hydrocarbon molecules are found, in good agreement with their observed values in TMC-1. The overall agreement is, however, just as good for the case of zero CH4 desorption efficiency. It is thus impossible to determine from the models whether or not the grain-surface production of methane is responsible for the observed abundances of some hydrocarbon molecules.

Features of electromagnetic processes in electric gas turbine installations

NASA Astrophysics Data System (ADS)

Kislyakov, M. A.; Chernov, V. A.; Maksimkin, V. L.; Bozhin, Yu. M.

2017-12-01

Electric gas turbine aggregates are considered in terms of ensuring reliable operation of gas-dynamic bearings. A complex of unfavorable factors affecting this unit of the installation is described, including rotor unbalance, eccentricity, irregularity of armature field rotation, its amplitude variation during rotor rotation, etc. The studies have shown that it is possible to increase the efficiency of EGTA by increasing the number of armature winding phases (i.e. reducing electromagnetic torque ripples), amplifying the damping circuits on the rotor, as well as by introducing pulse-width modulation of currents in the phases and flexible feedbacks.

NANOMATERIAL SOLUTIONS FOR HOT COAL GAS CLEANUP - PHASE I

EPA Science Inventory

Integrated gasification combined cycle (IGCC) is a new coal gasification technique that efficiently uses the hot (900-1500°C) generated syngas to power both steam and gas turbines. Due to regulations, this syngas must be free of sulfur and purification is normally carried ...

The α-Effect and Competing Mechanisms: The Gas-Phase Reactions of Microsolvated Anions with Methyl Formate

NASA Astrophysics Data System (ADS)

Thomsen, Ditte L.; Nichols, Charles M.; Reece, Jennifer N.; Hammerum, Steen; Bierbaum, Veronica M.

2014-02-01

The enhanced reactivity of α-nucleophiles, which contain an electron lone pair adjacent to the reactive site, has been demonstrated in solution and in the gas phase and, recently, for the gas-phase SN2 reactions of the microsolvated HOO-(H2O) ion with methyl chloride. In the present work, we continue to explore the significance of microsolvation on the α-effect as we compare the gas-phase reactivity of the microsolvated α-nucleophile HOO-(H2O) with that of microsolvated normal alkoxy nucleophiles, RO-(H2O), in reactions with methyl formate, where three competing reactions are possible. The results reveal enhanced reactivity of HOO-(H2O) towards methyl formate, and clearly demonstrate the presence of an overall α-effect for the reactions of the microsolvated α-nucleophile. The association of the nucleophiles with a single water molecule significantly lowers the degree of proton abstraction and increases the SN2 and BAC2 reactivity compared with the unsolvated analogs. HOO-(H2O) reacts with methyl formate exclusively via the BAC2 channel. While microsolvation lowers the overall reaction efficiency, it enhances the BAC2 reaction efficiency for all anions compared with the unsolvated analogs. This may be explained by participation of the solvent water molecule in the BAC2 reaction in a way that continuously stabilizes the negative charge throughout the reaction.

Stochastic algorithm for simulating gas transport coefficients

NASA Astrophysics Data System (ADS)

Rudyak, V. Ya.; Lezhnev, E. V.

2018-02-01

The aim of this paper is to create a molecular algorithm for modeling the transport processes in gases that will be more efficient than molecular dynamics method. To this end, the dynamics of molecules are modeled stochastically. In a rarefied gas, it is sufficient to consider the evolution of molecules only in the velocity space, whereas for a dense gas it is necessary to model the dynamics of molecules also in the physical space. Adequate integral characteristics of the studied system are obtained by averaging over a sufficiently large number of independent phase trajectories. The efficiency of the proposed algorithm was demonstrated by modeling the coefficients of self-diffusion and the viscosity of several gases. It was shown that the accuracy comparable to the experimental one can be obtained on a relatively small number of molecules. The modeling accuracy increases with the growth of used number of molecules and phase trajectories.

Efficient quantification of water content in edible oils by headspace gas chromatography with vapour phase calibration.

PubMed

Xie, Wei-Qi; Gong, Yi-Xian; Yu, Kong-Xian

2018-06-01

An automated and accurate headspace gas chromatographic (HS-GC) technique was investigated for rapidly quantifying water content in edible oils. In this method, multiple headspace extraction (MHE) procedures were used to analyse the integrated water content from the edible oil sample. A simple vapour phase calibration technique with an external vapour standard was used to calibrate both the water content in the gas phase and the total weight of water in edible oil sample. After that the water in edible oils can be quantified. The data showed that the relative standard deviation of the present HS-GC method in the precision test was less than 1.13%, the relative differences between the new method and a reference method (i.e. the oven-drying method) were no more than 1.62%. The present HS-GC method is automated, accurate, efficient, and can be a reliable tool for quantifying water content in edible oil related products and research. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Control of Reactive Species Generated by Low-frequency Biased Nanosecond Pulse Discharge in Atmospheric Pressure Plasma Effluent

NASA Astrophysics Data System (ADS)

Takashima, Keisuke; Kaneko, Toshiro

2016-09-01

The control of hydroxyl radical and the other gas phase species generation in the ejected gas through air plasma (air plasma effluent) has been experimentally studied, which is a key to extend the range of plasma treatment. Nanosecond pulse discharge is known to produce high reduced electric field (E/N) discharge that leads to efficient generation of the reactive species than conventional low frequency discharge, while the charge-voltage cycle in the low frequency discharge is known to be well-controlled. In this study, the nanosecond pulse discharge biased with AC low frequency high voltage is used to take advantages of these discharges, which allows us to modulate the reactive species composition in the air plasma effluent. The utilization of the gas-liquid interface and the liquid phase chemical reactions between the modulated long-lived reactive species delivered from the air plasma effluent could realize efficient liquid phase chemical reactions leading to short-lived reactive species production far from the air plasma, which is crucial for some plasma agricultural applications.

Systematic investigation of the SERS efficiency and SERS hotspots in gas-phase deposited Ag nanoparticle assemblies.

PubMed

He, L B; Wang, Y L; Xie, X; Han, M; Song, F Q; Wang, B J; Cheng, W L; Xu, H X; Sun, L T

2017-02-15

Gas-phase deposited Ag nanoparticle assemblies are one of the most commonly used plasmonic substrates benefiting from their remarkable advantages such as clean particle surface, tunable particle density, available inter-particle gaps, low-cost and scalable fabrication, and excellent industry compatibility. However, their performance efficiencies are difficult to optimize due to the lack of knowledge of the hotspots inside their structures. We here report a design of delicate rainbow-like Ag nanoparticle assemblies, based on which the hotspots can be revealed through a combinatorial approach. The findings show that the hotspots in gas-phase deposited Ag nanoparticle assemblies are uniquely entangled by the excitation energy and specific inter-particle gaps, differing from the matching conditions in periodic arrays. For Ag nanoparticle assemblies deposited on Formvar-filmed substrates, the mean particle size is maintained around 10 nm, while the particle density can be widely tuned. The one possessing the highest SERS efficiency (under 473 nm excitation) have a particle number density of around 7100 μm -2 . Gaps with an inter-particle spacing of around 3 nm are found to serve as SERS hotspots, and these hotspots contribute to 68% of the overall SERS intensity. For Ag nanoparticle assemblies fabricated on carbon-filmed substrates, the mean particle size can be feasibly tuned. The one possessing the highest SERS efficiency under 473 nm excitation has a particle number density of around 460 μm -2 and a mean particle size of around 42.1 nm. The construction of Ag-analyte-Ag sandwich-like nanoparticle assemblies by a two-step-deposition method slightly improves the SERS efficiency when the particle number density is low, but suppresses the SERS efficiency when the particle number density is high.

Final Rule for Phase 1 Greenhouse Gas Emissions Standards and Fuel Efficiency Standards for Medium- and Heavy-Duty Engines and Vehicles

EPA Pesticide Factsheets

EPA and NHTSA, on behalf of the Department of Transportation, have each finalized rules to establish a comprehensive Heavy-Duty National Program that will reduce greenhouse gas emissions and fuel consumption for heavy-duty highway vehicles.

DNS study of speed of sound in two-phase flows with phase change

NASA Astrophysics Data System (ADS)

Fu, Kai; Deng, Xiaolong

2017-11-01

Heat transfer through pipe flow is important for the safety of thermal power plants. Normally it is considered incompressible. However, in some conditions compressibility effects could deteriorate the heat transfer efficiency and even result in pipe rupture, especially when there is obvious phase change, due to the much lower sound speed in liquid-gas mixture flows. Based on the stratified multiphase flow model (Chang and Liou, JCP 2007), we present a new approach to simulate the sound speed in 3-D compressible two-phase dispersed flows, in which each face is divided into gas-gas, gas-liquid, and liquid-liquid parts via reconstruction by volume fraction, and fluxes are calculated correspondingly. Applying it to well-distributed air-water bubbly flows, comparing with the experiment measurements in air water mixture (Karplus, JASA 1957), the effects of adiabaticity, viscosity, and isothermality are examined. Under viscous and isothermal condition, the simulation results match the experimental ones very well, showing the DNS study with current method is an effective way for the sound speed of complex two-phase dispersed flows. Including the two-phase Riemann solver with phase change (Fechter et al., JCP 2017), more complex problems can be numerically studied.

Modeling and Simulation of the Off-gas in an Electric Arc Furnace

NASA Astrophysics Data System (ADS)

Meier, Thomas; Gandt, Karima; Echterhof, Thomas; Pfeifer, Herbert

2017-12-01

The following paper describes an approach to process modeling and simulation of the gas phase in an electric arc furnace (EAF). The work presented represents the continuation of research by Logar, Dovžan, and Škrjanc on modeling the heat and mass transfer and the thermochemistry in an EAF. Due to the lack of off-gas measurements, Logar et al. modeled a simplified gas phase under consideration of five gas components and simplified chemical reactions. The off-gas is one of the main continuously measurable EAF process values and the off-gas flow represents a heat loss up to 30 pct of the entire EAF energy input. Therefore, gas phase modeling offers further development opportunities for future EAF optimization. This paper presents the enhancement of the previous EAF gas phase modeling by the consideration of additional gas components and a more detailed heat and mass transfer modeling. In order to avoid the increase of simulation time due to more complex modeling, the EAF model has been newly implemented to use an efficient numerical solver for ordinary differential equations. Compared to the original model, the chemical components H2, H2O, and CH4 are included in the gas phase and equilibrium reactions are implemented. The results show high levels of similarity between the measured operational data from an industrial scale EAF and the theoretical data from the simulation within a reasonable simulation time. In the future, the dynamic EAF model will be applicable for on- and offline optimizations, e.g., to analyze alternative input materials and mode of operations.

Chemical vapor deposition modeling: An assessment of current status

NASA Technical Reports Server (NTRS)

Gokoglu, Suleyman A.

1991-01-01

The shortcomings of earlier approaches that assumed thermochemical equilibrium and used chemical vapor deposition (CVD) phase diagrams are pointed out. Significant advancements in predictive capabilities due to recent computational developments, especially those for deposition rates controlled by gas phase mass transport, are demonstrated. The importance of using the proper boundary conditions is stressed, and the availability and reliability of gas phase and surface chemical kinetic information are emphasized as the most limiting factors. Future directions for CVD are proposed on the basis of current needs for efficient and effective progress in CVD process design and optimization.

Development of Advanced High Strength Steel for Improved Vehicle Safety, Fuel Efficiency and CO2 Emission

NASA Astrophysics Data System (ADS)

Kumar, Satendra; Singhai, Mrigandra; Desai, Rahul; Sam, Srimanta; Patra, Pradip Kumar

2016-10-01

Global warming and green house gas emissions are the major issues worldwide and their impacts are clearly visible as a record high temperatures, rising sea, and severe `flooding and droughts'. Motor vehicles considered as a major contributor on global warming due to its green house gas emissions. Hence, the automobile industries are under tremendous pressure from government and society to reduce green house gas emission to maximum possible extent. In present work, Dual Phase steel with boron as microalloying is manufactured using thermo-mechanical treatment during hot rolling. Dual phase steel with boron microalloying improved strength by near about 200 MPa than dual phase steel without boron. The boron added dual phase steel can be used for manufacturing stronger and a lighter vehicle which is expected to perform positively on green house gas emissions. The corrosion resistance behavior is also improved with boron addition which would further increase the life cycle of the vehicle even under corrosive atmosphere.

A novel inlet system for online chemical analysis of semi-volatile submicron particulate matter

NASA Astrophysics Data System (ADS)

Eichler, P.; Müller, M.; D'Anna, B.; Wisthaler, A.

2015-03-01

We herein present a novel modular inlet system designed to be coupled to low-pressure gas analyzers for online chemical characterization of semi-volatile submicron particles. The "chemical analysis of aerosol online" (CHARON) inlet consists of a gas-phase denuder for stripping off gas-phase analytes, an aerodynamic lens for particle collimation combined with an inertial sampler for the particle-enriched flow and a thermodesorption unit for particle volatilization prior to chemical analysis. The denuder was measured to remove gas-phase organics with an efficiency > 99.999% and to transmit particles in the 100-750 nm size range with a 75-90% efficiency. The measured average particle enrichment factor in the subsampling flow from the aerodynamic lens was 25.6, which is a factor of 3 lower than the calculated theoretical optimum. We coupled the CHARON inlet to a proton-transfer-reaction time-of-flight mass spectrometer (PTR-ToF-MS) which quantitatively detects most organic analytes and ammonia. The combined CHARON-PTR-ToF-MS setup is thus capable of measuring both the organic and the ammonium fraction in submicron particles in real time. Individual organic compounds can be detected down to levels of 10-20 ng m-3. Two proof-of-principle studies were carried out for demonstrating the analytical power of this new instrumental setup: (i) oxygenated organics and their partitioning between the gas and the particulate phase were observed from the reaction of limonene with ozone and (ii) nicotine was measured in cigarette smoke particles demonstrating that selected organic target compounds can be detected in submicron particles in real time.

Amine-Amine Exchange in Aminium-Methanesulfonate Aerosols

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dawson, Matthew L.; Varner, Mychel E.; Perraud, Veronique M.

2014-12-18

Aerosol particles are ubiquitous in the atmosphere and have been shown to impact the Earth’s climate, reduce visibility, and adversely affect human health. Modeling the evolution of aerosol systems requires an understanding of the species and mechanisms involved in particle growth, including the complex interactions between particle- and gas-phase species. Here we report studies of displacement of amines (methylamine, dimethylamine or trimethylamine) in methanesulfonate salt particles by exposure to a different gas-phase amine, using a single particle mass spectrometer, SPLAT II. The variation of the displacement with the nature of the amine suggests that behavior is dependent on water inmore » or on the particles. Small clusters of methanesulfonic acid with amines are used as a model in quantum chemical calculations to identify key structural elements that are expected to influence water uptake, and hence the efficiency of displacement by gas-phase molecules in the aminium salts. Such molecular-level understanding of the processes affecting the ability of gas-phase amines to displace particle-phase aminium species is important for modeling the growth of particles and their impacts in the atmosphere.« less

Behaviors of Char Gasification Based on Two-stage Gasifier of Biomass

NASA Astrophysics Data System (ADS)

Taniguchi, Miki; Sasauchi, Kenichi; Ahn, Chulju; Ito, Yusuke; Hayashi, Toshiaki; Akamatsu, Fumiteru

In order to develop a small-scale gasifier in which biomass can be converted to energy with high efficiency, we planed a gasification process that consists of two parts: pyrolysis part (rotary kiln) and gasification part (downdraft gasifier). We performed fundamental experiments on gasification part and discussed the apropriate conditions such as air supply location, air ratio, air temperature and hearth load. The following results was found: 1) the air supply into the char bed is more effective than that into the gas phase, 2) we can have the maximum cold gas efficiency of 80% on the following conditions: air supply location: char layer, air temperature: 20°C, air ratio: 0.2. 3) As air temperature is higher, the cold gas efficiency is larger. As for the hearth load, the cold gas efficiency becomes higher and reaches the constant level. It is expected from the results that high temperature in the char layer is effective on the char gasification.

Kinetic efficiency of polar monolithic capillary columns in high-pressure gas chromatography.

PubMed

Kurganov, A A; Korolev, A A; Shiryaeva, V E; Popova, T P; Kanateva, A Yu

2013-11-08

Poppe plots were used for analysis of kinetic efficiency of monolithic sorbents synthesized in quartz capillaries for utilization in high-pressure gas chromatography. Values of theoretical plate time and maximum number of theoretical plates occurred to depend significantly on synthetic parameters such as relative amount of monomer in the initial polymerization mixture, temperature and polymerization time. Poppe plots let one to find synthesis conditions suitable either for high-speed separations or for maximal efficiency. It is shown that construction of kinetic Poppe curves using potential Van Deemter data demands compressibility of mobile phase to be taken into consideration in the case of gas chromatography. Model mixture of light hydrocarbons C1 to C4 was then used for investigation of influence of carrier gas nature on kinetic efficiency of polymeric monolithic columns. Minimal values of theoretical plate times were found for CO2 and N2O carrier gases. Copyright © 2013 Elsevier B.V. All rights reserved.

Solid State Energy Conversion Energy Alliance (SECA)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hennessy, Daniel; Sibisan, Rodica; Rasmussen, Mike

2011-09-12

The overall objective is to develop a solid oxide fuel cell (SOFC) stack that can be economically produced in high volumes and mass customized for different applications in transportation, stationary power generation, and military market sectors. In Phase I, work will be conducted on system design and integration, stack development, and development of reformers for natural gas and gasoline. Specifically, Delphi-Battelle will fabricate and test a 5 kW stationary power generation system consisting of a SOFC stack, a steam reformer for natural gas, and balance-of-plant (BOP) components, having an expected efficiency of 35 percent (AC/LHV). In Phase II and Phasemore » III, the emphasis will be to improve the SOFC stack, reduce start-up time, improve thermal cyclability, demonstrate operation on diesel fuel, and substantially reduce materials and manufacturing cost by integrating several functions into one component and thus reducing the number of components in the system. In Phase II, Delphi-Battelle will fabricate and demonstrate two SOFC systems: an improved stationary power generation system consisting of an improved SOFC stack with integrated reformation of natural gas, and the BOP components, with an expected efficiency of ≥40 percent (AC/LHV), and a mobile 5 kW system for heavy-duty trucks and military power applications consisting of an SOFC stack, reformer utilizing anode tailgate recycle for diesel fuel, and BOP components, with an expected efficiency of ≥30 percent (DC/LHV). Finally, in Phase III, Delphi-Battelle will fabricate and test a 5 kW Auxiliary Power Unit (APU) for mass-market automotive application consisting of an optimized SOFC stack, an optimized catalytic partial oxidation (CPO) reformer for gasoline, and BOP components, having an expected efficiency of 30 percent (DC/LHV) and a factory cost of ≤$400/kW.« less

Pulsed Corona Discharge Induced Hydroxyl Radical Transfer Through the Gas-Liquid Interface.

PubMed

Ajo, Petri; Kornev, Iakov; Preis, Sergei

2017-11-23

The highly energetic electrons in non-thermal plasma generated by gas phase pulsed corona discharge (PCD) produce hydroxyl (OH) radicals via collision reactions with water molecules. Previous work has established that OH radicals are formed at the plasma-liquid interface, making it an important location for the oxidation of aqueous pollutants. Here, by contacting water as aerosol with PCD plasma, it is shown that OH radicals are produced on the gas side of the interface, and not in the liquid phase. It is also demonstrated that the gas-liquid interfacial boundary poses a barrier for the OH radicals, one they need to cross for reactive affinity with dissolved components, and that this process requires a gaseous atomic H scavenger. For gaseous oxidation, a scavenger, oxygen in common cases, is an advantage but not a requirement. OH radical efficiency in liquid phase reactions is strongly temperature dependent as radical termination reaction rates increase with temperature.

Enhancement of mercury capture by the simultaneous addition of hydrogen bromide (HBr) and fly ashes in a slipstream facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan Cao; Quan-Hai Wang; Jun Li

2009-04-15

Low halogen content in tested Powder River Basin (PRB) coals and low loss of ignition content (LOI) in PRB-derived fly ash were likely responsible for higher elemental mercury content (averaging about 75%) in the flue gas and also lower mercury capture efficiency by electrostatic precipitator (ESP) and wet-FGD. To develop a cost-effective approach to mercury capture in a full-scale coal-fired utility boiler burning PRB coal, experiments were conducted adding hydrogen bromide (HBr) or simultaneously adding HBr and selected fly ashes in a slipstream reactor (0.152 x 0.152 m) under real flue gas conditions. The residence time of the flue gasmore » inside the reactor was about 1.4 s. The average temperature of the slipstream reactor was controlled at about 155{sup o}C. Tests were organized into two phases. In Phase 1, only HBr was added to the slipstream reactor, and in Phase 2, HBr and selected fly ash were added simultaneously. HBr injection was effective (>90%) for mercury oxidation at a low temperature (155{sup o}C) with an HBr addition concentration of about 4 ppm in the flue gas. Additionally, injected HBr enhanced mercury capture by PRB fly ash in the low-temperature range. The mercury capture efficiency, at testing conditions of the slipstream reactor, reached about 50% at an HBr injection concentration of 4 ppm in the flue gas. Compared to only the addition of HBr, simultaneously adding bituminous-derived fly ash in a minimum amount (30 lb/MMacf), together with HBr injection at 4 ppm, could increase mercury capture efficiency by 30%. Injection of lignite-derived fly ash at 30 lb/MMacf could achieve even higher mercury removal efficiency (an additional 35% mercury capture efficiency compared to HBR addition alone). 25 refs., 5 figs., 1 tab.« less

Liquid hyperpolarized 129Xe produced by phase exchange in a convection cell

NASA Astrophysics Data System (ADS)

Su, T.; Samuelson, G. L.; Morgan, S. W.; Laicher, G.; Saam, B.

2004-09-01

We present a method for the production of liquid hyperpolarized Xe129 that employs spin-exchange optical pumping in the gas phase and subsequent phase exchange with a column of xenon liquid. A convection loop inside the sealed glass cell allows efficient transfer of magnetization between the gas and liquid phases. By condensing to liquid a large fraction of the sample, this scheme permits the polarization of many more Xe129 atoms in a given sealed-cell volume than would otherwise be possible. We have thus far produced a steady-state polarization of 8% in 0.1mL of liquid with a characteristic rise time of ≈15min.

The Star Formation Rate Efficiency of Neutral Atomic-Dominated Hydrogen Gas in the Ooutskirts of Star-Forming Galaxies From z approx. 1 to z approx. 3

NASA Technical Reports Server (NTRS)

Rafelski, Marc; Gardner, Jonathan P.; Fumagalli, Michele; Neeleman, Marcel; Teplitz, Harry I.; Grogin, Norman; Koekemoer, Anton M.; Scarlata, Claudia

2016-01-01

Current observational evidence suggests that the star formation rate (SFR)efficiency of neutral atomic hydrogen gas measured in damped Ly(alpha) systems (DLAs) at z approx. 3 is more than 10 times lower than predicted by the Kennicutt-Schmidt (KS)relation. To understand the origin of this deficit, and to investigate possible evolution with redshift and galaxy properties, we measure the SFR efficiency of atomic gas at z approx. 1, z approx. 2, and z approx. 3 around star-forming galaxies. We use new robust photometric redshifts in the Hubble Ultra Deep Field to create galaxy stacks in these three redshift bins, and measure the SFR efficiency by combining DLA absorber statistics with the observed rest-frame UV emission in the galaxies' outskirts. We find that the SFR efficiency of H I gas at z > 1 is approx. 1%-3% of that predicted by the KS relation. Contrary to simulations and models that predict a reduced SFR efficiency with decreasing metallicity and thus with increasing redshift, we find no significant evolution in the SFR efficiency with redshift. Our analysis instead suggests that the reduced SFR efficiency is driven by the low molecular content of this atomic-dominated phase, with metallicity playing a secondary effect in regulating the conversion between atomic and molecular gas. This interpretation is supported by the similarity between the observed SFR efficiency and that observed in local atomic-dominated gas, such as in the outskirts of local spiral galaxies and local dwarf galaxies.

COMPARISON OF MERCURY CAPTURE EFFICIENCIES OF THREE DIFFERENT IN SITU GENERATED SORBENTS

EPA Science Inventory

Three different sorbent materials (Ti, Si and Ca based) were compared for their mercury capture efficiencies in an entrained flow reactor. Agglomerated particles with a high specific surface area were generated in situ by injecting gas phase sorbent precursors into a high tempera...

Final Rule for Greenhouse Gas Emissions and Fuel Efficiency Standards for Medium- and Heavy-Duty Engines and Vehicles - Phase 2

EPA Pesticide Factsheets

Rule to finalize standards for medium- and heavy-duty vehicles that would improve fuel efficiency and cut carbon pollution to reduce the impacts of climate change, while bolstering energy security and spurring manufacturing innovation.

Modeling of corona discharge combined with Mn²⁺ catalysis for the removal of SO₂ from simulated flue gas.

PubMed

Jiwu, Li; Lei, Fan

2013-05-01

This study investigated a mass-transfer process of the removal of SO₂ from simulated flue gas by corona discharge combined with Mn(2+) catalysis in wet reactor, including gas migration, liquid phase diffusion, and chemical reaction. The novelty formula of desulphurization efficiency and the flow rate of flue gas, discharge voltage, reaction enhancement factor, and the flow rate of water were established. It is reported that desulphurization efficiency remarkably increased with the increasing of enhancement factor and discharge voltage at 4000 mg m(-3) of SO₂ and 0.05 m(3)s(-1) of gas flow rate. However, the desulphurization efficiency had a slightly increase with the increasing of water flow rate. It is realizable that the energy consumption could be reduced to be lower than 0.3 kJ m(-3), which was acceptable for industrial application. The experimental data were well in accord with the calculated results of theoretical model. Copyright © 2013 Elsevier Ltd. All rights reserved.

Gas chromatographic column for the Viking 1975 molecular analysis experiment

NASA Technical Reports Server (NTRS)

Novotny, M.; Hayes, J. M.; Bruner, F.; Simmonds, P. G.

1975-01-01

A gas chromatographic column has been developed for use in the remote analysis of the Martian surface. The column, which utilizes a liquid-modified organic adsorbent (Tenax) as the stationary phase, provides efficient transmission and resolution of nanogram quantities of organic materials in the presence of millionfold excesses of water and carbon dioxide.

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.

Mechanism of Action of Sulforaphane as a Superoxide Radical Anion and Hydrogen Peroxide Scavenger by Double Hydrogen Transfer: A Model for Iron Superoxide Dismutase.

PubMed

Prasad, Ajit Kumar; Mishra, P C

2015-06-25

The mechanism of action of sulforaphane as a scavenger of superoxide radical anion (O2(•-)) and hydrogen peroxide (H2O2) was investigated using density functional theory (DFT) in both gas phase and aqueous media. Iron superoxide dismutase (Fe-SOD) involved in scavenging superoxide radical anion from biological media was modeled by a complex consisting of the ferric ion (Fe(3+)) attached to three histidine rings. Reactions related to scavenging of superoxide radical anion by sulforaphane were studied using DFT in the presence and absence of Fe-SOD represented by this model in both gas phase and aqueous media. The scavenging action of sulforaphane toward both superoxide radical anion and hydrogen peroxide was found to involve the unusual mechanism of double hydrogen transfer. It was found that sulforaphane alone, without Fe-SOD, cannot scavenge superoxide radical anion in gas phase or aqueous media efficiently as the corresponding reaction barriers are very high. However, in the presence of Fe-SOD represented by the above-mentioned model, the scavenging reactions become barrierless, and so sulforaphane scavenges superoxide radical anion by converting it to hydrogen peroxide efficiently. Further, sulforaphane was found to scavenge hydrogen peroxide also very efficiently by converting it into water. Thus, the mechanism of action of sulforaphane as an excellent antioxidant has been unravelled.

Ultra Clean 1.1MW High Efficiency Natural Gas Engine Powered System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zurlo, James; Lueck, Steve

Dresser, Inc. (GE Energy, Waukesha gas engines) will develop, test, demonstrate, and commercialize a 1.1 Megawatt (MW) natural gas fueled combined heat and power reciprocating engine powered package. This package will feature a total efficiency > 75% and ultra low CARB permitting emissions. Our modular design will cover the 1 – 6 MW size range, and this scalable technology can be used in both smaller and larger engine powered CHP packages. To further advance one of the key advantages of reciprocating engines, the engine, generator and CHP package will be optimized for low initial and operating costs. Dresser, Inc. willmore » leverage the knowledge gained in the DOE - ARES program. Dresser, Inc. will work with commercial, regulatory, and government entities to help break down barriers to wider deployment of CHP. The outcome of this project will be a commercially successful 1.1 MW CHP package with high electrical and total efficiency that will significantly reduce emissions compared to the current central power plant paradigm. Principal objectives by phases for Budget Period 1 include: • Phase 1 – market study to determine optimum system performance, target first cost, lifecycle cost, and creation of a detailed product specification. • Phase 2 – Refinement of the Waukesha CHP system design concepts, identification of critical characteristics, initial evaluation of technical solutions, and risk mitigation plans. Background« less

Destruction of PCDD/Fs by SCR from flue gases of municipal waste incinerator and metal smelting plant.

PubMed

Chang, Moo Been; Chi, Kai Hsien; Chang, Shu Hao; Yeh, Jhy Wei

2007-01-01

Partitioning of PCDD/F congeners between vapor/solid phases and removal and destruction efficiencies achieved with selective catalytic reduction (SCR) system for PCDD/Fs at an existing municipal waste incinerator (MWI) and metal smelting plant (MSP) in Taiwan are evaluated via stack sampling and analysis. The MWI investigated is equipped with electrostatic precipitators (EP, operating temperature: 230 degrees C), wet scrubbers (WS, operating temperature: 70 degrees C) and SCR (operating temperature: 220 degrees C) as major air pollution control devices (APCDs). PCDD/F concentration measured at stack gas of the MWI investigated is 0.728 ng-TEQ/Nm(3). The removal efficiency of WS+SCR system for PCDD/Fs reaches 93% in the MWI investigated. The MSP investigated is equipped with EP (operating temperature: 240 degrees C) and SCR (operating temperature: 290 degrees C) as APCDs. The flue gas sampling results also indicate that PCDD/F concentration treated with SCR is 1.35 ng-TEQ/Nm(3). The SCR system adopted in MSP can remove 52.3% PCDD/Fs from flue gases (SCR operating temperature: 290 degrees C, Gas flow rate: 660 kN m(3)/h). In addition, the distributions of PCDD/F congeners observed in the flue gases of the MWI and MSP investigated are significantly different. This study also indicates that the PCDD/F congeners measured in the flue gases of those two facilities are mostly distributed in vapor phase prior to the SCR system and shift to solid phase (vapor-phase PCDD/Fs are effectively decomposed) after being treated with catalyst. Besides, the results also indicate that with SCR highly chlorinated PCDD/F congeners can be transformed to lowly chlorinated PCDD/F congeners probably by dechlorination, while the removal efficiencies of vapor-phase PCDD/Fs increase with increasing chlorination.

Gasification of rice straw in a fluidized-bed gasifier for syngas application in close-coupled boiler-gasifier systems.

PubMed

Calvo, L F; Gil, M V; Otero, M; Morán, A; García, A I

2012-04-01

The feasibility and operation performance of the gasification of rice straw in an atmospheric fluidized-bed gasifier was studied. The gasification was carried out between 700 and 850 °C. The stoichiometric air-fuel ratio (A/F) for rice straw was 4.28 and air supplied was 7-25% of that necessary for stoichiometric combustion. Mass and power balances, tar concentration, produced gas composition, gas phase ammonia, chloride and potassium concentrations, agglomeration tendencies and gas efficiencies were assessed. Agglomeration was avoided by replacing the normal alumina-silicate bed by a mixture of alumina-silicate sand and MgO. It was shown that it is possible to produce high quality syngas from the gasification of rice straw. Under the experimental conditions used, the higher heating value (HHV) of the produced gas reached 5.1 MJ Nm(-3), the hot gas efficiency 61% and the cold gas efficiency 52%. The obtained results prove that rice straw may be used as fuel for close-coupled boiler-gasifier systems. Copyright © 2012 Elsevier Ltd. All rights reserved.

Variations of emission characterization of PAHs emitted from different utility boilers of coal-fired power plants and risk assessment related to atmospheric PAHs.

PubMed

Wang, Ruwei; Liu, Guijian; Zhang, Jiamei

2015-12-15

Coal-fired power plants (CFPPs) represent important source of atmospheric PAHs, however, their emission characterization are still largely unknown. In this work, the concentration, distribution and gas-particle partitioning of PM10- and gas-phase PAHs in flue gas emitted from different coal-fired utility boilers were investigated. Moreover, concentration and distribution in airborne PAHs from different functional areas of power plants were studied. People's inhalatory and dermal exposures to airborne PAHs at these sites were estimated and their resultant lung cancer and skin cancer risks were assessed. Results indicated that the boiler capacity and operation conditions have significant effect on PAH concentrations in both PM10 and gas phases due to the variation of combustion efficiency, whereas they take neglected effect on PAH distributions. The wet flue gas desulphurization (WFGD) takes significant effect on the scavenging of PAH in both PM10 and gas phases, higher scavenging efficiency were found for less volatile PAHs. PAH partitioning is dominated by absorption into organic matter and accompanied by adsorption onto PM10 surface. In addition, different partitioning mechanism is observed for individual PAHs, which is assumed arising from their chemical affinity and vapor pressure. Risk assessment indicates that both inhalation and dermal contact greatly contribute to the cancer risk for CFPP workers and nearby residents. People working in workshop are exposed to greater inhalation and dermal exposure risk than people living in nearby vicinity and working office. Copyright © 2015. Published by Elsevier B.V.

Energy Conversion Alternatives Study (ECAS), Westinghouse phase 1. Volume 4: Open recuperated and bottomed gas turbine cycles. [performance prediction and energy conversion efficiency of gas turbines in electric power plants (thermodynamic cycles)

NASA Technical Reports Server (NTRS)

Amos, D. J.; Grube, J. E.

1976-01-01

Open-cycle recuperated gas turbine plant with inlet temperatures of 1255 to 1644 K (1800 to 2500 F) and recuperators with effectiveness values of 0, 70, 80 and 90% are considered. A 1644 K (2500 F) gas turbine would have a 33.5% plant efficiency in a simple cycle, 37.6% in a recuperated cycle and 47.6% when combined with a sulfur dioxide bottomer. The distillate burning recuperated plant was calculated to produce electricity at a cost of 8.19 mills/MJ (29.5 mills/kWh). Due to their low capital cost $170 to 200 $/kW, the open cycle gas turbine plant should see duty for peaking and intermediate load duty.

Separation mechanism of chiral impurities, ephedrine and pseudoephedrine, found in amphetamine-type substances using achiral modifiers in the gas phase.

PubMed

Holness, Howard K; Jamal, Adeel; Mebel, Alexander; Almirall, José R

2012-11-01

A new mechanism is proposed that describes the gas-phase separation of chiral molecules found in amphetamine-type substances (ATS) by the use of high-resolution ion mobility spectrometry (IMS). Straight-chain achiral alcohols of increasing carbon chain length, from methanol to n-octanol, are used as drift gas modifiers in IMS to highlight the mechanism proposed for gas-phase separations of these chiral molecules. The results suggest the possibility of using these achiral modifiers to separate the chiral molecules (R,S) and (S,R)-ephedrine and (S,S) and (R,R)-pseudoephedrine which contain an internal hydroxyl group at the first chiral center and an amino group at the other chiral center. Ionization was achieved with an electrospray source, the ions were introduced into an IMS with a resolving power of 80, and the resulting ion clusters were characterized with a coupled quadrupole mass spectrometer detector. A complementary computational study conducted at the density functional B3LYP/6-31g level of theory for the electronic structure of the analyte-modifier clusters was also performed, and showed either "bridged" or "independent" binding. The combined experimental and simulation data support the proposed mechanism for gas-phase chiral separations using achiral modifiers in the gas phase, thus enhancing the potential to conduct fast chiral separations with relative ease and efficiency.

CLEPS 1.0: A new protocol for cloud aqueous phase oxidation of VOC mechanisms

NASA Astrophysics Data System (ADS)

Mouchel-Vallon, Camille; Deguillaume, Laurent; Monod, Anne; Perroux, Hélène; Rose, Clémence; Ghigo, Giovanni; Long, Yoann; Leriche, Maud; Aumont, Bernard; Patryl, Luc; Armand, Patrick; Chaumerliac, Nadine

2017-03-01

A new detailed aqueous phase mechanism named the Cloud Explicit Physico-chemical Scheme (CLEPS 1.0) is proposed to describe the oxidation of water soluble organic compounds resulting from isoprene oxidation. It is based on structure activity relationships (SARs) which provide global rate constants together with branching ratios for HOṡ abstraction and addition on atmospheric organic compounds. The GROMHE SAR allows the evaluation of Henry's law constants for undocumented organic compounds. This new aqueous phase mechanism is coupled with the MCM v3.3.1 gas phase mechanism through a mass transfer scheme between gas phase and aqueous phase. The resulting multiphase mechanism has then been implemented in a model based on the Dynamically Simple Model for Atmospheric Chemical Complexity (DSMACC) using the Kinetic PreProcessor (KPP) that can serve to analyze data from cloud chamber experiments and field campaigns. The simulation of permanent cloud under low-NOx conditions describes the formation of oxidized monoacids and diacids in the aqueous phase as well as a significant influence on the gas phase chemistry and composition and shows that the aqueous phase reactivity leads to an efficient fragmentation and functionalization of organic compounds.

Rapid removal of nitrobenzene in a three-phase ozone loaded system with gas-liquid-liquid

USGS Publications Warehouse

Li, Shiyin; Zhu, Jiangpeng; Wang, Guoxiang; Ni, Lixiao; Zhang, Yong; Green, Christopher T.

2015-01-01

This study explores the removal rate of nitrobenzene (NB) using a new gas-liquid-liquid (G-L-L) three-phase ozone loaded system consisting of a gaseous ozone, an aqueous solvent phase, and a fluorinated solvent phase (perfluorodecalin, or FDC). The removal rate of NB was quantified in relation to six factors including 1) initial pH, 2) initial NB dosage, 3) gaseous ozone dosage, 4) free radical scavenger, 5) FDC pre-aerated gaseous ozone, and 6) reuse of FDC. The NB removal rate is positively affected by the first three factors. Compared with the conventional gas-liquid (water) (G-L) two-phase ozonation system, the free radical scavenger (tertiary butyl alcohol) has much less influence on the removal rate of NB in the G-L-L system. The FDC loaded ozone acts as an ozone reservoir and serves as the main reactive phase in the G-L-L three-phase system. The reuse of FDC has little influence on the removal rate of NB. These experimental results suggest that the oxidation efficiency of ozonation in the G-L-L three-phase system is better than that in the conventional G-L two-phase system.

Determination of volatile compounds in cider apple juices using a covalently bonded ionic liquid coating as the stationary phase in gas chromatography.

PubMed

Pello-Palma, Jairo; González-Álvarez, Jaime; Gutiérrez-Álvarez, María Dolores; Dapena de la Fuente, Enrique; Mangas-Alonso, Juan José; Méndez-Sánchez, Daniel; Gotor-Fernández, Vicente; Arias-Abrodo, Pilar

2017-04-01

A chromatographic method for the separation of volatile compounds in Asturian cider apple juices has been developed. For this separation purpose, a monocationic imidazolium-based ionic liquid bearing a reactive terminal iodine atom was synthesized by a quaternization-anion exchange chemical sequence. Next, the gas chromatography (GC) stationary phase was prepared by covalently linking the imidazolium monolith to the reactive silanol groups of the inner capillary wall at 70 °C. This coated GC column exhibited good thermal stability (290 °C), as well as good efficiency (2000 plates/m) in the separation of volatile compounds from Asturian apple cider juices, and was characterized using the Abraham solvation parameter model. The intra-day and inter-day precision of the chromatographic method was evaluated, obtaining relative standard deviations from 3.7 to 12.9% and from 7.4 to 18.0%, respectively. Furthermore, recoveries from 82.5 to 122% were achieved. Graphical Abstract Covalent bonding of an ionic liquid to inner column wall led to a great improvement of the separation efficiencies of stationary phases in gas chromatography.

Numerical Analysis of Dusty-Gas Flows

NASA Astrophysics Data System (ADS)

Saito, T.

2002-02-01

This paper presents the development of a numerical code for simulating unsteady dusty-gas flows including shock and rarefaction waves. The numerical results obtained for a shock tube problem are used for validating the accuracy and performance of the code. The code is then extended for simulating two-dimensional problems. Since the interactions between the gas and particle phases are calculated with the operator splitting technique, we can choose numerical schemes independently for the different phases. A semi-analytical method is developed for the dust phase, while the TVD scheme of Harten and Yee is chosen for the gas phase. Throughout this study, computations are carried out on SGI Origin2000, a parallel computer with multiple of RISC based processors. The efficient use of the parallel computer system is an important issue and the code implementation on Origin2000 is also described. Flow profiles of both the gas and solid particles behind the steady shock wave are calculated by integrating the steady conservation equations. The good agreement between the pseudo-stationary solutions and those from the current numerical code validates the numerical approach and the actual coding. The pseudo-stationary shock profiles can also be used as initial conditions of unsteady multidimensional simulations.

Theoretical and experimental study of a gas-coupled two-stage pulse tube cooler with stepped warm displacer as the phase shifter

NASA Astrophysics Data System (ADS)

Pang, Xiaomin; Wang, Xiaotao; Dai, Wei; Li, Haibing; Wu, Yinong; Luo, Ercang

2018-06-01

A compact and high efficiency cooler working at liquid hydrogen temperature has many important applications such as cooling superconductors and mid-infrared sensors. This paper presents a two-stage gas-coupled pulse tube cooler system with a completely co-axial configuration. A stepped warm displacer, working as the phase shifter for both stages, has been studied theoretically and experimentally in this paper. Comparisons with the traditional phase shifter (double inlet) are also made. Compared with the double inlet type, the stepped warm displacer has the advantages of recovering the expansion work from the pulse tube hot end (especially from the first stage) and easily realizing an appropriate phase relationship between the pressure wave and volume flow rate at the pulse tube hot end. Experiments are then carried out to investigate the performance. The pressure ratio at the compression space is maintained at 1.37, for the double inlet type, the system obtains 1.1 W cooling power at 20 K with 390 W acoustic power input and the relative Carnot efficiency is only 3.85%; while for the stepped warm displacer type, the system obtains 1.06 W cooling power at 20 K with only 224 W acoustic power input and the relative Carnot efficiency can reach 6.5%.

Analysis of Efficiency of the Ship Propulsion System with Thermochemical Recuperation of Waste Heat

NASA Astrophysics Data System (ADS)

Cherednichenko, Oleksandr; Serbin, Serhiy

2018-03-01

One of the basic ways to reduce polluting emissions of ship power plants is application of innovative devices for on-board energy generation by means of secondary energy resources. The combined gas turbine and diesel engine plant with thermochemical recuperation of the heat of secondary energy resources has been considered. It is suggested to conduct the study with the help of mathematical modeling methods. The model takes into account basic physical correlations, material and thermal balances, phase equilibrium, and heat and mass transfer processes. The paper provides the results of mathematical modeling of the processes in a gas turbine and diesel engine power plant with thermochemical recuperation of the gas turbine exhaust gas heat by converting a hydrocarbon fuel. In such a plant, it is possible to reduce the specific fuel consumption of the diesel engine by 20%. The waste heat potential in a gas turbine can provide efficient hydrocarbon fuel conversion at the ratio of powers of the diesel and gas turbine engines being up to 6. When the diesel engine and gas turbine operate simultaneously with the use of the LNG vapor conversion products, the efficiency coefficient of the plant increases by 4-5%.

Closed Cycle Magnetohydrodynamic Nuclear Space Power Generation Using Helium/Xenon Working Plasma

NASA Technical Reports Server (NTRS)

Litchford, R. J.; Harada, N.

2005-01-01

A multimegawatt-class nuclear fission powered closed cycle magnetohydrodynamic space power plant using a helium/xenon working gas has been studied, to include a comprehensive system analysis. Total plant efficiency was expected to be 55.2 percent including pre-ionization power. The effects of compressor stage number, regenerator efficiency, and radiation cooler temperature on plant efficiency were investigated. The specific mass of the power generation plant was also examined. System specific mass was estimated to be 3 kg/kWe for a net electrical output power of 1 MWe, 2-3 kg/kWe at 2 MWe, and approx.2 kg/KWe at >3 MWe. Three phases of research and development plan were proposed: (1) Phase I-proof of principle, (2) Phase II-demonstration of power generation, and (3) Phase III-prototypical closed loop test.

Computational Fluid Dynamics-Discrete Element Method (CFD-DEM) Study of Mass-Transfer Mechanisms in Riser Flow.

PubMed

Carlos Varas, Álvaro E; Peters, E A J F; Kuipers, J A M

2017-05-17

We report a computational fluid dynamics-discrete element method (CFD-DEM) simulation study on the interplay between mass transfer and a heterogeneous catalyzed chemical reaction in cocurrent gas-particle flows as encountered in risers. Slip velocity, axial gas dispersion, gas bypassing, and particle mixing phenomena have been evaluated under riser flow conditions to study the complex system behavior in detail. The most important factors are found to be directly related to particle cluster formation. Low air-to-solids flux ratios lead to more heterogeneous systems, where the cluster formation is more pronounced and mass transfer more influenced. Falling clusters can be partially circumvented by the gas phase, which therefore does not fully interact with the cluster particles, leading to poor gas-solid contact efficiencies. Cluster gas-solid contact efficiencies are quantified at several gas superficial velocities, reaction rates, and dilution factors in order to gain more insight regarding the influence of clustering phenomena on the performance of riser reactors.

Numerical investigation of the effect of number and shape of inlet of cyclone and particle size on particle separation

NASA Astrophysics Data System (ADS)

Khazaee, Iman

2017-06-01

Cyclones are one of the most common devices for removing particles from the gas stream and act as a filter. The mode of action of separating these particles, from mass gas flow, in this case, is that the inertia force exerted on the solid particles in the cyclone, several times greater than the force of inertia into the gas phase and so the particles are guided from the sides of the cyclone body to the bottom body but less power will be affected by the gas phase and from upper parts, solid particles, goes to the bottom chamber. Most of the attention has been focused on finding new methods to improve performance parameters. Recently, some studies were conducted to improve equipment performance by evaluating geometric effects on projects. In this work, the effect of cyclone geometry was studied through the creation of a symmetrical double and quad inlet and also studied cutting inlet geometry and their influence on separation efficiency. To assess the accuracy of modeling, selected model compared with the model Kim and Lee and the results were close to acceptable. The collection efficiency of the double inlet cyclone was found to be 20-25% greater than that of the single inlet cyclone and the collection efficiency of the quad inlet cyclone was found to be 40-45% greater than with the same inlet size. Also the collection efficiency of the rectangle inlet was found to be 4-6% greater than ellipse inlet and the collection efficiency of the ellipse inlet was found to be 30-35% greater than circle inlet.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takeishi, T.; Kotoh, K.; Kawabata, Y.

The existence of tritium-contaminated oils from vacuum pumps used in tritium facilities, is becoming an important issue since there is no disposal way for tritiated waste oils. On recovery of tritiated water vapor in gas streams, it is well-known that the isotope exchange reaction between the gas phase and the liquid phase occurs effectively at room temperature. We have carried out experiments using bubbles to examine the tritium contamination and decontamination of a volume of rotary-vacuum-pump oil. The contamination of the pump oil was made by bubbling tritiated water vapor and tritiated hydrogen gas into the oil. Subsequently the decontaminationmore » was processed by bubbling pure water vapor and dry argon gas into the tritiated oil. Results show that the water vapor bubbling was more effective than dry argon gas. The experiment also shows that the water vapor bubbling in an oil bottle can remove and transfer tritium efficiently from the tritiated oil into another water-bubbling bottle.« less

Gravimetric Measurements of Filtering Facepiece Respirators Challenged With Diesel Exhaust.

PubMed

Satish, Swathi; Swanson, Jacob J; Xiao, Kai; Viner, Andrew S; Kittelson, David B; Pui, David Y H

2017-07-01

Elevated concentrations of diesel exhaust have been linked to adverse health effects. Filtering facepiece respirators (FFRs) are widely used as a form of respiratory protection against diesel particulate matter (DPM) in occupational settings. Previous results (Penconek A, Drążyk P, Moskal A. (2013) Penetration of diesel exhaust particles through commercially available dust half masks. Ann Occup Hyg; 57: 360-73.) have suggested that common FFRs are less efficient than would be expected for this purpose based on their certification approvals. The objective of this study was to measure the penetration of DPM through NIOSH-certified R95 and P95 electret respirators to verify this result. Gravimetric-based penetration measurements conducted using polytetrafluoroethylene (PTFE) and polypropylene (PP) filters were compared with penetration measurements made with a Scanning Mobility Particle Sizer (SMPS, TSI Inc.), which measures the particle size distribution. Gravimetric measurements using PP filters were variable compared to SMPS measurements and biased high due to adsorption of gas phase organic material. Relatively inert PTFE filters adsorbed less gas phase organic material resulting in measurements that were more accurate. To attempt to correct for artifacts associated with adsorption of gas phase organic material, primary and secondary filters were used in series upstream and downstream of the FFR. Correcting for adsorption by subtracting the secondary mass from the primary mass improved the result for both PTFE and PP filters but this correction is subject to 'equilibrium' conditions that depend on sampling time and the concentration of particles and gas phase hydrocarbons. Overall, the results demonstrate that the use of filters to determine filtration efficiency of FFRs challenged with diesel exhaust produces erroneous results due to the presence of gas phase hydrocarbons in diesel exhaust and the tendency of filters to adsorb organic material. Published by Oxford University Press on behalf of the British Occupational Hygiene Society 2017.

Gas and grain chemical composition in cold cores as predicted by the Nautilus three-phase model

NASA Astrophysics Data System (ADS)

Ruaud, Maxime; Wakelam, Valentine; Hersant, Franck

2016-07-01

We present an extended version of the two-phase gas-grain code NAUTILUS to the three-phase modelling of gas and grain chemistry of cold cores. In this model, both the mantle and the surface are considered as chemically active. We also take into account the competition among reaction, diffusion and evaporation. The model predictions are confronted to ice observations in the envelope of low-mass and massive young stellar objects as well as towards background stars. Modelled gas-phase abundances are compared to species observed towards TMC-1 (CP) and L134N dark clouds. We find that our model successfully reproduces the observed ice species. It is found that the reaction-diffusion competition strongly enhances reactions with barriers and more specifically reactions with H2, which is abundant on grains. This finding highlights the importance having a good approach to determine the abundance of H2 on grains. Consequently, it is found that the major N-bearing species on grains go from NH3 to N2 and HCN when the reaction-diffusion competition is taken into account. In the gas phase and before a few 105 yr, we find that the three-phase model does not have a strong impact on the observed species compared to the two-phase model. After this time, the computed abundances dramatically decrease due to the strong accretion on dust, which is not counterbalanced by the desorption less efficient than in the two-phase model. This strongly constrains the chemical age of cold cores to be of the order of few 105 yr.

A new method of efficient heat transfer and storage at very high temperatures

NASA Technical Reports Server (NTRS)

Shaw, D.; Bruckner, A. P.; Hertzberg, A.

1980-01-01

A unique, high temperature (1000-2000 K) continuously operating capacitive heat exchanger system is described. The system transfers heat from a combustion or solar furnace to a working gas by means of a circulating high temperature molten refractory. A uniform aggregate of beads of a glass-like refractory is injected into the furnace volume. The aggregate is melted and piped to a heat exchanger where it is sprayed through a counter-flowing, high pressure working gas. The refractory droplets transfer their heat to the gas, undergoing a phase change into the solid bead state. The resulting high temperature gas is used to drive a suitable high efficiency heat engine. The solidified refractory beads are delivered back to the furnace and melted to continue the cycle. This approach avoids the important temperature limitations of conventional tube-type heat exchangers, giving rise to the potential of converting heat energy into useful work at considerably higher efficiencies than currently attainable and of storing energy at high thermodynamic potential.

Conversion of laser energy to gas kinetic energy

NASA Technical Reports Server (NTRS)

Caledonia, G. E.

1977-01-01

Techniques for the gas-phase absorption of laser energy with ultimate conversion to heat or directed kinetic energy are reviewed. It is shown that the efficiency of resonance absorption by the vibration/rotation bands of the working gas can be enhanced by operating at sufficiently high pressures so that the linewidths of the absorbing transition exceed the line spacing. Within this limit, the gas can absorb continuously over the full spectral region of the band, and bleaching can be minimized since the manifold of molecular vibrational levels can simultaneously absorb the laser radiation.

Comparison between the phase I and phase II 6 m coke oven batteries of C. Still type in China Steel Corporation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chiao-Hwa, H.; Tai-Heng, C.; Cheng-Hwa, L.

1983-01-01

The 98 ovens built for phase II batteries at China Steel Corporation show significant improvements over those of phase I, although they are operated in series with these. Improvements discussed in this paper include those associated with the single collection main, water sealing for the ascension pipe, aspiration by high pressure flushing liquor, self-sealing doors, wall head armour structures, waste gas flues and thermal efficiency.

Novel protocol for highly efficient gas-phase chemical derivatization of surface amine groups using trifluoroacetic anhydride

NASA Astrophysics Data System (ADS)

Duchoslav, Jiri; Kehrer, Matthias; Hinterreiter, Andreas; Duchoslav, Vojtech; Unterweger, Christoph; Fürst, Christian; Steinberger, Roland; Stifter, David

2018-06-01

In the current work, chemical derivatization of amine (NH2) groups with trifluoroacetic anhydride (TFAA) as an analytical method to improve the information scope of X-ray photoelectron spectroscopy (XPS) is investigated. TFAA is known to successfully label hydroxyl (OH) groups. With the introduction of a newly developed gas-phase derivatization protocol conducted at ambient pressure and using a catalyst also NH2 groups can now efficiently be labelled with a high yield and without the formation of unwanted by-products. By establishing a comprehensive and self-consistent database of reference binding energies for XPS a promising approach for distinguishing hydroxyl from amine groups is presented. The protocol was verified on different polymers, including poly(allylamine), poly(ethyleneimine), poly(vinylalcohol) and chitosan, the latter one containing both types of addressed chemical groups.

Photoelectron spectrometer for liquid and gas-phase attosecond spectroscopy with field-free and magnetic bottle operation modes

NASA Astrophysics Data System (ADS)

Jordan, Inga; Jain, Arohi; Gaumnitz, Thomas; Ma, Jun; Wörner, Hans Jakob

2018-05-01

A compact time-of-flight spectrometer for applications in attosecond spectroscopy in the liquid and gas phases is presented. It allows for altering the collection efficiency by transitioning between field-free and magnetic-bottle operation modes. High energy resolution (ΔE/E = 0.03 for kinetic energies >20 eV) is achieved despite the short flight-tube length through a homogeneous deceleration potential at the beginning of the flight tube. A closing mechanism allows isolating the vacuum system of the flight tube from the interaction region in order to efficiently perform liquid-microjet experiments. The capabilities of the instrument are demonstrated through photoelectron spectra from multiphoton ionization of argon and xenon, as well as photoelectron spectra of liquid and gaseous water generated by an attosecond pulse train.

An approach for modeling thermal destruction of hazardous wastes in circulating fluidized bed incinerator.

PubMed

Patil, M P; Sonolikar, R L

2008-10-01

This paper presents a detailed computational fluid dynamics (CFD) based approach for modeling thermal destruction of hazardous wastes in a circulating fluidized bed (CFB) incinerator. The model is based on Eular - Lagrangian approach in which gas phase (continuous phase) is treated in a Eularian reference frame, whereas the waste particulate (dispersed phase) is treated in a Lagrangian reference frame. The reaction chemistry hasbeen modeled through a mixture fraction/ PDF approach. The conservation equations for mass, momentum, energy, mixture fraction and other closure equations have been solved using a general purpose CFD code FLUENT4.5. Afinite volume method on a structured grid has been used for solution of governing equations. The model provides detailed information on the hydrodynamics (gas velocity, particulate trajectories), gas composition (CO, CO2, O2) and temperature inside the riser. The model also allows different operating scenarios to be examined in an efficient manner.

Tailor Made Synthesis of T-Shaped and π-STACKED Dimers in the Gas Phase: Concept for Efficient Drug Design and Material Synthesis

NASA Astrophysics Data System (ADS)

Kumar, Sumit; Das, Aloke

2013-06-01

Non-covalent interactions play a key role in governing the specific functional structures of biomolecules as well as materials. Thus molecular level understanding of these intermolecular interactions can help in efficient drug design and material synthesis. It has been found from X-ray crystallography that pure hydrocarbon solids (i.e. benzene, hexaflurobenzene) have mostly slanted T-shaped (herringbone) packing arrangement whereas mixed solid hydrocarbon crystals (i.e. solid formed from mixtures of benzene and hexafluorobenzene) exhibit preferentially parallel displaced (PD) π-stacked arrangement. Gas phase spectroscopy of the dimeric complexes of the building blocks of solid pure benzene and mixed benzene-hexafluorobenzene adducts exhibit similar structural motifs observed in the corresponding crystal strcutures. In this talk, I will discuss about the jet-cooled dimeric complexes of indole with hexafluorobenzene and p-xylene in the gas phase using Resonant two photon ionzation and IR-UV double resonance spectroscopy combined with quantum chemistry calculations. In stead of studying benzene...p-xylene and benzene...hexafluorobenzene dimers, we have studied corresponding indole complexes because N-H group is much more sensitive IR probe compared to C-H group. We have observed that indole...hexafluorobenzene dimer has parallel displaced (PD) π-stacked structure whereas indole...p-xylene has slanted T-shaped structure. We have shown here selective switching of dimeric structure from T-shaped to π-stacked by changing the substituent from electron donating (-CH3) to electron withdrawing group (fluorine) in one of the complexing partners. Thus, our results demonstrate that efficient engineering of the non-covalent interactions can lead to efficient drug design and material synthesis.

Production of ammonia from plasma-catalytic decomposition of urea: Effects of carrier gas composition.

PubMed

Fan, Xing; Li, Jian; Qiu, Danqi; Zhu, Tianle

2018-04-01

Effects of carrier gas composition (N 2 /air) on NH 3 production, energy efficiency regarding NH 3 production and byproducts formation from plasma-catalytic decomposition of urea were systematically investigated using an Al 2 O 3 -packed dielectric barrier discharge (DBD) reactor at room temperature. Results show that the presence of O 2 in the carrier gas accelerates the conversion of urea but leads to less generation of NH 3 . The final yield of NH 3 in the gas phase decreased from 70.5%, 78.7%, 66.6% and 67.2% to 54.1%, 51.7%, 49.6% and 53.4% for applied voltages of 17, 19, 21 and 23kV, respectively when air was used as the carrier gas instead of N 2 . From the viewpoint of energy savings, however, air carrier gas is better than N 2 due to reduced energy consumption and increased energy efficiency for decomposition of a fixed amount of urea. Carrier gas composition has little influence on the major decomposition pathways of urea under the synergetic effects of plasma and Al 2 O 3 catalyst to give NH 3 and CO 2 as the main products. Compared to a small amount of N 2 O formed with N 2 as the carrier gas, however, more byproducts including N 2 O and NO 2 in the gas phase and NH 4 NO 3 in solid deposits were produced with air as the carrier gas, probably due to the unproductive consumption of NH 3 , the possible intermediate HNCO and even urea by the abundant active oxygen species and nitrogen oxides generated in air-DBD plasma. Copyright © 2017. Published by Elsevier B.V.

Development of Novel PEM Membrane and Multiphase CD Modeling of PEM Fuel Cell

DOE Office of Scientific and Technical Information (OSTI.GOV)

K. J. Berry; Susanta Das

2009-12-30

To understand heat and water management phenomena better within an operational proton exchange membrane fuel cell's (PEMFC) conditions, a three-dimensional, two-phase computational fluid dynamic (CFD) flow model has been developed and simulated for a complete PEMFC. Both liquid and gas phases are considered in the model by taking into account the gas flow, diffusion, charge transfer, change of phase, electro-osmosis, and electrochemical reactions to understand the overall dynamic behaviors of species within an operating PEMFC. The CFD model is solved numerically under different parametric conditions in terms of water management issues in order to improve cell performance. The results obtainedmore » from the CFD two-phase flow model simulations show improvement in cell performance as well as water management under PEMFCs operational conditions as compared to the results of a single phase flow model available in the literature. The quantitative information obtained from the two-phase model simulation results helped to develop a CFD control algorithm for low temperature PEM fuel cell stacks which opens up a route in designing improvement of PEMFC for better operational efficiency and performance. To understand heat and water management phenomena better within an operational proton exchange membrane fuel cell's (PEMFC) conditions, a three-dimensional, two-phase computational fluid dynamic (CFD) flow model has been developed and simulated for a complete PEMFC. Both liquid and gas phases are considered in the model by taking into account the gas flow, diffusion, charge transfer, change of phase, electro-osmosis, and electrochemical reactions to understand the overall dynamic behaviors of species within an operating PEMFC. The CFD model is solved numerically under different parametric conditions in terms of water management issues in order to improve cell performance. The results obtained from the CFD two-phase flow model simulations show improvement in cell performance as well as water management under PEMFCs operational conditions as compared to the results of a single phase flow model available in the literature. The quantitative information obtained from the two-phase model simulation results helped to develop a CFD control algorithm for low temperature PEM fuel cell stacks which opens up a route in designing improvement of PEMFC for better operational efficiency and performance.« less

Fluorescence imaging of the nanoparticles modified with indocyanine green

NASA Astrophysics Data System (ADS)

Gareev, K. G.; Babikova, K. Y.; Postnov, V. N.; Naumisheva, E. B.; Korolev, D. V.

2017-11-01

The comparative research of silica, the magnetite and magnetite-silica nanoparticles modified with fluorescent dyes using gas-phase and liquid-phase methods was conducted. At the content of fluorescent dye comparable in size a particular spectrophotometric method, nanoparticles with fluorescein have up to 1000 times larger overall luminous efficiency. It is revealed that magnetic nanoparticles are characterized by a smaller light efficiency in comparison with silica particles, at the same time particles of a magnetite are most effective at modification with fluorescein, and magnetite-silica particles - at modification with indocyanine green.

Gas-Sensing Characteristics of SrFeO3-δ Thin Film Probed by a Homemade Apparatus

NASA Astrophysics Data System (ADS)

Manikandan, M.; Santhosh Kumar, B.; Mukil Raj, T.; Moorthy Babu, S.; Venkateswaran, C.

2018-05-01

SrFeO2.97 phase obtained by annealing radiofrequency-sputtered stoichiometric film at 600°C for 24 h has been tested using a homemade apparatus coupled with impedance spectrometry. Oxygen nonstoichiometry plays a vital role in sensing of reducing gases. Hence, this phase showed efficient sensing performance for different reducing gases such as acetone (CH3COCH3), ethanol (C2H5OH), ammonia (NH3), and hydrogen sulfide (H2S), with high sensing response recorded for H2S gas at 60°C.

Gas-fired duplex free-piston Stirling refrigerator

NASA Astrophysics Data System (ADS)

Urieli, L.

1984-03-01

The duplex free-piston Stirling refrigerator is a potentially high efficiency, high reliability device which is ideally suited to the home appliance field, in particular as a gas-fired refrigerator. It has significant advantages over other equivalent devices including freedom from halogenated hydrocarbons, extremely low temperatures available at a high efficiency, integrated water heating, and simple burner system control. The design and development of a portable working demonstration gas-fired duplex Stirling refrigeration unit is described. A unique combination of computer aided development and experimental development was used, enabling a continued interaction between the theoretical analysis and practical testing and evaluation. A universal test rig was developed in order to separately test and evaluate major subunits, enabling a smooth system integration phase.

Thermodynamic analysis of fuels in gas phase: ethanol, gasoline and ethanol - gasoline predicted by DFT method.

PubMed

Neto, A F G; Lopes, F S; Carvalho, E V; Huda, M N; Neto, A M J C; Machado, N T

2015-10-01

This paper presents a theoretical study using density functional theory to calculate thermodynamics properties of major molecules compounds at gas phase of fuels like gasoline, ethanol, and gasoline-ethanol mixture in thermal equilibrium on temperature range up to 1500 K. We simulated a composition of gasoline mixture with ethanol for a thorough study of thermal energy, enthalpy, Gibbs free energy, entropy, heat capacity at constant pressure with respect to temperature in order to study the influence caused by ethanol as an additive to gasoline. We used semi-empirical computational methods as well in order to know the efficiency of other methods to simulate fuels through this methodology. In addition, the ethanol influence through the changes in percentage fractions of chemical energy released in combustion reaction and the variations on thermal properties for autoignition temperatures of fuels was analyzed. We verified how ethanol reduces the chemical energy released by gasoline combustion and how at low temperatures the gas phase fuels in thermal equilibrium have similar thermodynamic behavior. Theoretical results were compared with experimental data, when available, and showed agreement. Graphical Abstract Thermodynamic analysis of fuels in gas phase.

Modelling of the combustion velocity in UIT-85 on sustainable alternative gas fuel

NASA Astrophysics Data System (ADS)

Smolenskaya, N. M.; Korneev, N. V.

2017-05-01

The flame propagation velocity is one of the determining parameters characterizing the intensity of combustion process in the cylinder of an engine with spark ignition. Strengthening of requirements for toxicity and efficiency of the ICE contributes to gradual transition to sustainable alternative fuels, which include the mixture of natural gas with hydrogen. Currently, studies of conditions and regularities of combustion of this fuel to improve efficiency of its application are carried out in many countries. Therefore, the work is devoted to modeling the average propagation velocities of natural gas flame front laced with hydrogen to 15% by weight of the fuel, and determining the possibility of assessing the heat release characteristics on the average velocities of the flame front propagation in the primary and secondary phases of combustion. Experimental studies, conducted the on single cylinder universal installation UIT-85, showed the presence of relationship of the heat release characteristics with the parameters of the flame front propagation. Based on the analysis of experimental data, the empirical dependences for determination of average velocities of flame front propagation in the first and main phases of combustion, taking into account the change in various parameters of engine operation with spark ignition, were obtained. The obtained results allow to determine the characteristics of heat dissipation and to assess the impact of addition of hydrogen to the natural gas combustion process, that is needed to identify ways of improvement of the combustion process efficiency, including when you change the throttling parameters.

Efficient mixing of the solar nebula from uniform Mo isotopic composition of meteorites.

PubMed

Becker, Harry; Walker, Richard J

2003-09-11

The abundances of elements and their isotopes in our Galaxy show wide variations, reflecting different nucleosynthetic processes in stars and the effects of Galactic evolution. These variations contrast with the uniformity of stable isotope abundances for many elements in the Solar System, which implies that processes efficiently homogenized dust and gas from different stellar sources within the young solar nebula. However, isotopic heterogeneity has been recognized on the subcentimetre scale in primitive meteorites, indicating that these preserve a compositional memory of their stellar sources. Small differences in the abundance of stable molybdenum isotopes in bulk rocks of some primitive and differentiated meteorites, relative to terrestrial Mo, suggest large-scale Mo isotopic heterogeneity between some inner Solar System bodies, which implies physical conditions that did not permit efficient mixing of gas and dust. Here we report Mo isotopic data for bulk samples of primitive and differentiated meteorites that show no resolvable deviations from terrestrial Mo. This suggests efficient mixing of gas and dust in the solar nebula at least to 3 au from the Sun, possibly induced by magnetohydrodynamic instabilities. These mixing processes must have occurred before isotopic fractionation of gas-phase elements and volatility-controlled chemical fractionations were established.

LSENS, a general chemical kinetics and sensitivity analysis code for gas-phase reactions: User's guide

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan; Bittker, David A.

1993-01-01

A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS, are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include static system, steady, one-dimensional, inviscid flow, shock initiated reaction, and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method, which works efficiently for the extremes of very fast and very slow reaction, is used for solving the 'stiff' differential equation systems that arise in chemical kinetics. For static reactions, sensitivity coefficients of all dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters can be computed. This paper presents descriptions of the code and its usage, and includes several illustrative example problems.

Gas-phase advanced oxidation for effective, efficient in situ control of pollution.

PubMed

Johnson, Matthew S; Nilsson, Elna J K; Svensson, Erik A; Langer, Sarka

2014-01-01

In this article, gas-phase advanced oxidation, a new method for pollution control building on the photo-oxidation and particle formation chemistry occurring in the atmosphere, is introduced and characterized. The process uses ozone and UV-C light to produce in situ radicals to oxidize pollution, generating particles that are removed by a filter; ozone is removed using a MnO2 honeycomb catalyst. This combination of in situ processes removes a wide range of pollutants with a comparatively low specific energy input. Two proof-of-concept devices were built to test and optimize the process. The laboratory prototype was built of standard ventilation duct and could treat up to 850 m(3)/h. A portable continuous-flow prototype built in an aluminum flight case was able to treat 46 m(3)/h. Removal efficiencies of >95% were observed for propane, cyclohexane, benzene, isoprene, aerosol particle mass, and ozone for concentrations in the range of 0.4-6 ppm and exposure times up to 0.5 min. The laboratory prototype generated a OH(•) concentration derived from propane reaction of (2.5 ± 0.3) × 10(10) cm(-3) at a specific energy input of 3 kJ/m(3), and the portable device generated (4.6 ± 0.4) × 10(9) cm(-3) at 10 kJ/m(3). Based on these results, in situ gas-phase advanced oxidation is a viable control strategy for most volatile organic compounds, specifically those with a OH(•) reaction rate higher than ca. 5 × 10(-13) cm(3)/s. Gas-phase advanced oxidation is able to remove compounds that react with OH and to control ozone and total particulate mass. Secondary pollution including formaldehyde and ultrafine particles might be generated, depending on the composition of the primary pollution.

Solar photocatalytic gas-phase degradation of n-decane--a comparative study using cellulose acetate monoliths coated with P25 or sol-gel TiO₂ films.

PubMed

Miranda, Sandra M; Lopes, Filipe V S; Rodrigues-Silva, Caio; Martins, Susana D S; Silva, Adrián M T; Faria, Joaquim L; Boaventura, Rui A R; Vilar, Vítor J P

2015-01-01

Cellulose acetate monoliths (CAM) were used as the substrate for the deposition of TiO2 films to produce honeycombed photoactive structures to fill a tubular photoreactor equipped with a compound parabolic collector. By using such a setup, an efficient single-pass gas-phase conversion was achieved in the degradation of n-decane, a model volatile organic compound. The CAM three-dimensional, gas-permeable transparent structure with a rugged surface enables a good adhesion of the catalytic coating. It also provides a rigid structure for packing the tubular photoreactor, and maximizing the illuminated catalyst surface. The efficiency of the photocatalytic oxidation (PCO) process on n-decane degradation was evaluated under different operating conditions, such as feeding concentration (73 and 146 ppm), gas stream flow rate (73, 150, and 300 mL min(-1)), relative humidity (3 and 25 %), and UV irradiance (18.9, 29.1, and 38.4 WUV m(-2)). The results show that n-decane degradation by neat photolysis is negligible, but mineralization efficiencies of 86 and 82 % were achieved with P25-CAM and SG-CAM, respectively, for parent pollutant conversions above 95 %, under steady-state conditions. A mass transfer model, considering the mass balance to the plug-flow packed photoreactor, and PCO reaction given by a Langmuir-Hinshelwood bimolecular non-competitive two types of sites equation, was able to predict well the PCO kinetics under steady-state conditions, considering all the operational parameters tested. Overall, the performance of P25-CAM was superior taking into account mineralization efficiency, cost of preparation, surface roughness, and robustness of the deposited film.

Fuel-Flexible Gasification-Combustion Technology for Production of H2 and Sequestration-Ready CO2

DOE Office of Scientific and Technical Information (OSTI.GOV)

George Rizeq; Parag Kulkarni; Wei Wei

It is expected that in the 21st century the Nation will continue to rely on fossil fuels for electricity, transportation, and chemicals. It will be necessary to improve both the process efficiency and environmental impact performance of fossil fuel utilization. GE Global Research is developing an innovative fuel-flexible Unmixed Fuel Processor (UFP) technology to produce H{sub 2}, power, and sequestration-ready CO{sub 2} from coal and other solid fuels. The UFP module offers the potential for reduced cost, increased process efficiency relative to conventional gasification and combustion systems, and near-zero pollutant emissions including NO{sub x}. GE was awarded a contract frommore » U.S. DOE NETL to develop the UFP technology. Work on the Phase I program started in October 2000, and work on the Phase II effort started in April 2005. In the UFP technology, coal and air are simultaneously converted into separate streams of (1) high-purity hydrogen that can be utilized in fuel cells or turbines, (2) sequestration-ready CO{sub 2}, and (3) high temperature/pressure vitiated air to produce electricity in a gas turbine. The process produces near-zero emissions with an estimated efficiency higher than IGCC with conventional CO2 separation. The Phase I R&D program established the feasibility of the integrated UFP technology through lab-, bench- and pilot-scale testing and investigated operating conditions that maximize separation of CO{sub 2} and pollutants from the vent gas, while simultaneously maximizing coal conversion efficiency and hydrogen production. The Phase I effort integrated experimental testing, modeling and preliminary economic studies to demonstrate the UFP technology. The Phase II effort will focus on three high-risk areas: economics, sorbent attrition and lifetime, and product gas quality for turbines. The economic analysis will include estimating the capital cost as well as the costs of hydrogen and electricity for a full-scale UFP plant. These costs will be benchmarked with IGCC polygen costs for plants of similar size. Sorbent attrition and lifetime will be addressed via bench-scale experiments that monitor sorbent performance over time and by assessing materials interactions at operating conditions. The product gas from the third reactor (high-temperature vitiated air) will be evaluated to assess the concentration of particulates, pollutants and other impurities relative to the specifications required for gas turbine feed streams. This is the eighteenth quarterly technical progress report for the UFP program, which is supported by U.S. DOE NETL (Contract No. DE-FC26-00FT40974) and GE. This report summarizes program accomplishments for the Phase II period starting July 01, 2005 and ending September 30, 2005. The report includes an introduction summarizing the UFP technology, main program tasks, and program objectives; it also provides a summary of program activities and accomplishments covering progress in tasks including process modeling, scale-up and economic analysis.« less

Weighted Global Artificial Bee Colony Algorithm Makes Gas Sensor Deployment Efficient

PubMed Central

Jiang, Ye; He, Ziqing; Li, Yanhai; Xu, Zhengyi; Wei, Jianming

2016-01-01

This paper proposes an improved artificial bee colony algorithm named Weighted Global ABC (WGABC) algorithm, which is designed to improve the convergence speed in the search stage of solution search equation. The new method not only considers the effect of global factors on the convergence speed in the search phase, but also provides the expression of global factor weights. Experiment on benchmark functions proved that the algorithm can improve the convergence speed greatly. We arrive at the gas diffusion concentration based on the theory of CFD and then simulate the gas diffusion model with the influence of buildings based on the algorithm. Simulation verified the effectiveness of the WGABC algorithm in improving the convergence speed in optimal deployment scheme of gas sensors. Finally, it is verified that the optimal deployment method based on WGABC algorithm can improve the monitoring efficiency of sensors greatly as compared with the conventional deployment methods. PMID:27322262

A Computationally Efficient Equation of State for Ternary Gas Hydrate Systems

NASA Astrophysics Data System (ADS)

White, M. D.

2012-12-01

The potential energy resource of natural gas hydrates held in geologic accumulations, using lower volumetric estimates, is sufficient to meet the world demand for natural gas for nearly eight decades, at current rates of increase. As with other unconventional energy resources, the challenge is to economically produce the natural gas fuel. The gas hydrate challenge is principally technical. Meeting that challenge will require innovation, but more importantly, scientific research to understand the resource and its characteristics in porous media. The thermodynamic complexity of gas hydrate systems makes numerical simulation a particularly attractive research tool for understanding production strategies and experimental observations. Simply stated, producing natural gas from gas hydrate deposits requires releasing CH4 from solid gas hydrate. The conventional way to release CH4 is to dissociate the hydrate by changing the pressure and temperature conditions to those where the hydrate is unstable. Alternatively, the guest-molecule exchange technology releases CH4 by replacing it with more thermodynamically stable molecules (e.g., CO2, N2). This technology has three advantageous: 1) it sequesters greenhouse gas, 2) it potentially releases energy via an exothermic reaction, and 3) it retains the hydraulic and mechanical stability of the hydrate reservoir. Numerical simulation of the production of gas hydrates from geologic deposits requires accounting for coupled processes: multifluid flow, mobile and immobile phase appearances and disappearances, heat transfer, and multicomponent thermodynamics. The ternary gas hydrate system comprises five components (i.e., H2O, CH4, CO2, N2, and salt) and the potential for six phases (i.e., aqueous, nonaqueous liquid, gas, hydrate, ice, and precipitated salt). The equation of state for ternary hydrate systems has three requirements: 1) phase occurrence, 2) phase composition, and 3) phase properties. Numerical simulations that predict the production of geologic accumulations of gas hydrates have historically suffered from relatively slow execution times, compared with other multifluid, porous media systems, due to strong nonlinearities and phase transitions. The phase equilibria for the ternary gas hydrate system within the gas hydrate stability range of composition, temperature and pressure, includes regions where the gas hydrate is in equilibrium with gas, nonaqueous liquid, or mixtures of gas and nonaqeuous liquid near the CO2-CH4-N2 mixture critical point. In these regions, solutions to cubic equations of state can be nonconvergent without accurate initial guesses. A hybrid tabular-cubic equation of state is described which avoids convergence issues, but conserves the characteristics and advantages of the cubic equation of state approaches to phase equilibria calculations. The application of interest will be the production of a natural gas hydrate deposit from a geologic formation, using the guest molecule exchange process; where, a mixture of CO2 and N2 are injected into the formation. During the guest-molecule exchange, CO2 and N2 will predominately replace CH4 in the large and small cages of the sI structure, respectively.

Gas-Phase Hydrodesulfurization of JP-8 Light Fraction Using Steam Reformate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Xiwen; King, David L.

2006-10-11

Gas phase hydrodesulfurization of JP-8 light fraction was investigated over CoMo/Al2O3 and NiMo/Al2O3 catalysts. Use of a light fraction provides a fuel that is more easily desulfurized, and allows the process to operate in the vapor phase. This study investigated the utilization of reformate (syngas) from a steam reformer rather than pure H2 as gas feed to HDS unit. This is consistent with what might be available to the military during operation in the field. Dry syngas functions almost as well as pure H2 in the HDS reaction, and sulfur levels below 5ppmw are readily obtained from a feed initiallymore » containing 320ppmw sulfur. Addition of steam at 40 vol% to the gas feed has a significant negative impact on HDS performance with CoMo/Al2O3, but only a small effect with NiMo/Al2O3. The impacts of various process conditions on S removal efficiency were examined and will be described.« less

Effects of water vapor on flue gas conditioning in the electric fields with corona discharge.

PubMed

Liqiang, Qi; Yajuan, Zhang

2013-07-15

Sulfur dioxide (SO2) removal via pulsed discharge nonthermal plasma in the absence of ammonia was investigated to determine how electrostatic precipitators (ESPs) can effectively collect particulate matter less than 2.5μm in diameter from flue gas. SO2 removal increased as water vapor concentration increased. In a wet-type plasma reactor, directing a gas-phase discharge plasma toward the water film surface significantly enhanced the liquid-phase oxidation of HSO3(-) to SO4(2-). Comparisons of various absorbents revealed that the hydroxyl radical is a key factor in plasma-induced liquid-phase reactions. The resistivity, size distribution, and cohesive force of fly ash at different water vapor contents were measured using a Bahco centrifuge, which is a dust electrical resistivity test instrument, as well as a cohesive force test apparatus developed by the researchers. When water vapor content increased by 5%, fly ash resistivity in flue gas decreased by approximately two orders of magnitude, adhesive force and size increased, and specific surface area decreased. Therefore, ESP efficiency increased. Copyright © 2013 Elsevier B.V. All rights reserved.

PCDD/F and dioxin-like PCB minimization: A 13-year experimental study along the flue gas cleaning system of a secondary aluminium refining plant.

PubMed

Collina, Elena; Bortolami, Michele; Franzoni, Francesco; Lasagni, Marina; Piccinelli, Elsa; Pitea, Demetrio

2017-08-01

A 13-years study shows that a careful design of the flue gas cleaning system of a full scale secondary aluminium refining plant results in a minimized and very stable emission of Polychlorinated Dibenzo-p-Dioxins (PCDD), Polychlorinated Dibenzo Furans (PCDF) and dioxin-like Polychlorinated Biphenyls (PCB). The value of equivalent toxicity of PCDD/F in the emission was definitely of an order of magnitude less than the regulation limit. In the initial flue gas cleaning system, the PCB mean fingerprint after the slow cooling of the flue gas was typical of de novo synthesis. Instead, in the presence of quenching, there was evidence that the fast cooling of flue gas prevented the PCB de novo synthesis. In fact, the PCB profile was similar to that in the air collected from the aspiration hoods for the quenching. The gas-phase and solid-phase partitioning of PCBs, before and after the fabric filters, highlights the predominant role of the vapor phase with respect to the total removal efficiency. The polycyclic aromatic hydrocarbons breakdown could be an additional de novo formation pathway even in industrial plants. Copyright © 2017 Elsevier Ltd. All rights reserved.

The Origin of the Relation between Metallicity and Size in Star-forming Galaxies

NASA Astrophysics Data System (ADS)

Sánchez Almeida, J.; Dalla Vecchia, C.

2018-06-01

For the same stellar mass, physically smaller star-forming galaxies are also metal richer. What causes the relation remains unclear. The central star-forming galaxies in the EAGLE cosmological numerical simulation reproduce the observed trend. We use them to explore the origin of the relation assuming that the physical mechanism responsible for the anticorrelation between size and gas-phase metallicity is the same in the simulated and the observed galaxies. We consider the three most likely causes: (1) metal-poor gas inflows feeding the star formation (SF) process, (2) metal-rich gas outflows particularly efficient in shallow gravitational potentials, and (3) enhanced efficiency of the SF process in compact galaxies. Outflows (cause 2) and enhanced SF efficiency (cause 3) can be discarded. Metal-poor gas inflows (cause 1) produce the correlation in the simulated galaxies. Galaxies grow in size with time, so those that receive gas later are both metal poorer and larger, giving rise to the observed anticorrelation. As expected within this explanation, larger galaxies have younger stellar populations. We explore the variation with redshift of the relation, which is maintained up to, at least, redshift 8.

Heating and flooding: A unified approach for rapid generation of free energy surfaces

NASA Astrophysics Data System (ADS)

Chen, Ming; Cuendet, Michel A.; Tuckerman, Mark E.

2012-07-01

We propose a general framework for the efficient sampling of conformational equilibria in complex systems and the generation of associated free energy hypersurfaces in terms of a set of collective variables. The method is a strategic synthesis of the adiabatic free energy dynamics approach, previously introduced by us and others, and existing schemes using Gaussian-based adaptive bias potentials to disfavor previously visited regions. In addition, we suggest sampling the thermodynamic force instead of the probability density to reconstruct the free energy hypersurface. All these elements are combined into a robust extended phase-space formalism that can be easily incorporated into existing molecular dynamics packages. The unified scheme is shown to outperform both metadynamics and adiabatic free energy dynamics in generating two-dimensional free energy surfaces for several example cases including the alanine dipeptide in the gas and aqueous phases and the met-enkephalin oligopeptide. In addition, the method can efficiently generate higher dimensional free energy landscapes, which we demonstrate by calculating a four-dimensional surface in the Ramachandran angles of the gas-phase alanine tripeptide.

The Dynamics of Truncated Black Hole Accretion Disks. I. Viscous Hydrodynamic Case

NASA Astrophysics Data System (ADS)

Hogg, J. Drew; Reynolds, Christopher S.

2017-07-01

Truncated accretion disks are commonly invoked to explain the spectro-temporal variability in accreting black holes in both small systems, I.e., state transitions in galactic black hole binaries (GBHBs), and large systems, I.e., low-luminosity active galactic nuclei (LLAGNs). In the canonical truncated disk model of moderately low accretion rate systems, gas in the inner region of the accretion disk occupies a hot, radiatively inefficient phase, which leads to a geometrically thick disk, while the gas in the outer region occupies a cooler, radiatively efficient phase that resides in the standard geometrically thin disk. Observationally, there is strong empirical evidence to support this phenomenological model, but a detailed understanding of the dynamics of truncated disks is lacking. We present a well-resolved viscous, hydrodynamic simulation that uses an ad hoc cooling prescription to drive a thermal instability and, hence, produce the first sustained truncated accretion disk. With this simulation, we perform a study of the dynamics, angular momentum transport, and energetics of a truncated disk. We find that the time variability introduced by the quasi-periodic transition of gas from efficient cooling to inefficient cooling impacts the evolution of the simulated disk. A consequence of the thermal instability is that an outflow is launched from the hot/cold gas interface, which drives large, sub-Keplerian convective cells into the disk atmosphere. The convective cells introduce a viscous θ - ϕ stress that is less than the generic r - ϕ viscous stress component, but greatly influences the evolution of the disk. In the truncated disk, we find that the bulk of the accreted gas is in the hot phase.

The Dynamics of Truncated Black Hole Accretion Disks. I. Viscous Hydrodynamic Case

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hogg, J. Drew; Reynolds, Christopher S.

Truncated accretion disks are commonly invoked to explain the spectro-temporal variability in accreting black holes in both small systems, i.e., state transitions in galactic black hole binaries (GBHBs), and large systems, i.e., low-luminosity active galactic nuclei (LLAGNs). In the canonical truncated disk model of moderately low accretion rate systems, gas in the inner region of the accretion disk occupies a hot, radiatively inefficient phase, which leads to a geometrically thick disk, while the gas in the outer region occupies a cooler, radiatively efficient phase that resides in the standard geometrically thin disk. Observationally, there is strong empirical evidence to supportmore » this phenomenological model, but a detailed understanding of the dynamics of truncated disks is lacking. We present a well-resolved viscous, hydrodynamic simulation that uses an ad hoc cooling prescription to drive a thermal instability and, hence, produce the first sustained truncated accretion disk. With this simulation, we perform a study of the dynamics, angular momentum transport, and energetics of a truncated disk. We find that the time variability introduced by the quasi-periodic transition of gas from efficient cooling to inefficient cooling impacts the evolution of the simulated disk. A consequence of the thermal instability is that an outflow is launched from the hot/cold gas interface, which drives large, sub-Keplerian convective cells into the disk atmosphere. The convective cells introduce a viscous θ − ϕ stress that is less than the generic r − ϕ viscous stress component, but greatly influences the evolution of the disk. In the truncated disk, we find that the bulk of the accreted gas is in the hot phase.« less

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.

Computational Fluid Dynamics–Discrete Element Method (CFD-DEM) Study of Mass-Transfer Mechanisms in Riser Flow

PubMed Central

2017-01-01

We report a computational fluid dynamics–discrete element method (CFD-DEM) simulation study on the interplay between mass transfer and a heterogeneous catalyzed chemical reaction in cocurrent gas-particle flows as encountered in risers. Slip velocity, axial gas dispersion, gas bypassing, and particle mixing phenomena have been evaluated under riser flow conditions to study the complex system behavior in detail. The most important factors are found to be directly related to particle cluster formation. Low air-to-solids flux ratios lead to more heterogeneous systems, where the cluster formation is more pronounced and mass transfer more influenced. Falling clusters can be partially circumvented by the gas phase, which therefore does not fully interact with the cluster particles, leading to poor gas–solid contact efficiencies. Cluster gas–solid contact efficiencies are quantified at several gas superficial velocities, reaction rates, and dilution factors in order to gain more insight regarding the influence of clustering phenomena on the performance of riser reactors. PMID:28553011

Gas-phase optical fiber photocatalytic reactors for indoor air application: a preliminary study on performance indicators

NASA Astrophysics Data System (ADS)

Palmiste, Ü.; Voll, H.

2017-10-01

The development of advanced air cleaning technologies aims to reduce building energy consumption by reduction of outdoor air flow rates while keeping the indoor air quality at an acceptable level by air cleaning. Photocatalytic oxidation is an emerging technology for gas-phase air cleaning that can be applied in a standalone unit or a subsystem of a building mechanical ventilation system. Quantitative information on photocatalytic reactor performance is required to evaluate the technical and economic viability of the advanced air cleaning by PCO technology as an energy conservation measure in a building air conditioning system. Photocatalytic reactors applying optical fibers as light guide or photocatalyst coating support have been reported as an approach to address the current light utilization problems and thus, improve the overall efficiency. The aim of the paper is to present a preliminary evaluation on continuous flow optical fiber photocatalytic reactors based on performance indicators commonly applied for air cleaners. Based on experimental data, monolith-type optical fiber reactor performance surpasses annular-type optical fiber reactors in single-pass removal efficiency, clean air delivery rate and operating cost efficiency.

Progress towards the Advanced Cryogenic Gas Stopper at NSCL

NASA Astrophysics Data System (ADS)

Lund, Kasey; Bollen, Georg; Villiari, Antonio; Lawton, Don; Morrissey, Dave; Otterson, Jack; Ringle, Ryan; Schwarz, Stefan; Sumithrarachchi, Chandana; Yurkon, John; Advanced Cryogenic Gas Stopper Design Team

2016-09-01

Beam stopping is the key to performing experiments with low-energy beams of rare isotopes produced by projectile fragmentation. Linear gas stoppers filled with helium have become reliable tools to accomplish this task. Further developments are underway to maximize efficiency and beam rate capability in order to increase scientific reach. Improvements include increasing extraction efficiency, lowering decay losses due to slow transport time, reducing molecular combination of the isotope of interest with background impurity gases, and minimizing space charge effects. The ACGS under construction at NSCL is designed to increase performance by overcoming some of the more common issues. The use of a 4-phase RF wire carpet to generate an electrical traveling wave speeds up the ion transport times. Cryogenic cooling of the helium gas chamber reduces molecular ion information. A geometry that puts the RF carpet in the mid-plane of the gas stopper alleviates space charge effects. Prototype testing of important ACGS components has been completed, specifically ion transport tests of the newly designed RF wire carpets. Transport efficiencies up to 95% were demonstrated as well as transport speeds up to 100 m/s. RC104100.7301.

Multiscale modeling and experimental interpretation of perovskite oxide materials in thermochemical energy storage and conversion for application in concentrating solar power

NASA Astrophysics Data System (ADS)

Albrecht, Kevin J.

Decarbonization of the electric grid is fundamentally limited by the intermittency of renewable resources such as wind and solar. Therefore, energy storage will play a significant role in the future of grid-scale energy generation to overcome the intermittency issues. For this reason, concentrating solar power (CSP) plants have been a renewable energy generation technology of interest due to their ability to participate in cost effective and efficient thermal energy storage. However, the ability to dynamically dispatch a CSP plant to meet energy demands is currently limited by the large quantities of sensible thermal energy storage material needed in a molten salt plant. Perovskite oxides have been suggested as a thermochemical energy storage material to enhance the energy storage capabilities of particle-based CSP plants, which combine sensible and chemical modes of energy storage. In this dissertation, computational models are used to establish the thermochemical energy storage potential of select perovskite compositions, identify system configurations that promote high values of energy storage and solar-to-electric efficiency, assess the kinetic and transport limitation of the chemical mode of energy storage, and create receiver and reoxidation reactor models capable of aiding in component design. A methodology for determining perovskite thermochemical energy storage potential is developed based on point defect models to represent perovskite non-stoichiometry as a function of temperature and gas phase oxygen partial pressure. The thermodynamic parameters necessary for the model are extracted from non-stoichiometry measurements by fitting the model using an optimization routine. The procedure is demonstrated for Ca0.9Sr0.1MnO 3-d which displayed combined energy storage values of 705.7 kJ/kg -1 by cycling between 773 K and 0.21 bar oxygen to 1173 K and 10 -4 bar oxygen. Thermodynamic system-level models capable of exploiting perovskite redox chemistry for energy storage in CSP plants are presented. Comparisons of sweep gas and vacuum pumping reduction as well as hot storage conditions indicate that solar-to-electric efficiencies are higher for sweep gas reduction system at equivalent values of energy storage if the energy parasitics of commercially available devices are considered. However, if vacuum pump efficiency between 15% and 30% can be achieved, the reduction methods will be approximately equal. Reducing condition oxygen partial pressures below 10-3 bar for sweep gas reduction and 10-2 bar for vacuum pumping reduction result in large electrical parasitics, which significantly reduce solar-to-electric efficiency. A model based interpretation of experimental measurements made for perovskite redox cycling using sweep gas in a packed bed is presented. The model indicates that long reduction times for equilibrating perovskites with low oxygen partial pressure sweep gas, compared to reoxidation, are primarily due to the oxygen carrying capacity of high purity sweep gas and not surface kinetic limitations. Therefore, achieving rapid reduction in the limited receiver residence time will be controlled by the quantity of sweep gas introduced. Effective kinetic parameters considering surface reaction and radial particle diffusion are fit to the experimental data. Variable order rate expressions without significant particle radial diffusion limitations are shown to be capable of representing the reduction and oxidation data. Modeling of a particle reduction receiver using continuous flow of perovskite solid and sweep gas in counter-flow configuration has identified issues with managing the oxygen evolved by the solid as well as sweep gas flow rates. Introducing sweep gas quantities necessary for equilibrating the solid with oxygen partial pressures below 10-2 are shown to result in gas phase velocities above the entrainment velocity of 500 um particles. Receiver designs with considerations for gas management are investigated and the results indicate that degrees of reduction corresponding to only oxygen partial pressures of 10-2 bar are attained. Numerical investigation into perovskite thermochemical energy storage indicates that achieving high levels of reduction through sweep gas or vacuum pumping to lower gas phase oxygen partial pressure below 10-2 bar display issues with parasitic energy consumption and gas phase management. Therefore, focus on material development should place a premium on thermal reduction and reduction by shifting oxygen partial pressure between ambient and 10-2 bar. Such a material would enable the development of a system with high solar-to-electric efficiencies and degrees of reduction which are attainable in realistic component geometries.

Singlet oxygen generation on porous superhydrophobic surfaces: effect of gas flow and sensitizer wetting on trapping efficiency.

PubMed

Zhao, Yuanyuan; Liu, Yang; Xu, Qianfeng; Barahman, Mark; Bartusik, Dorota; Greer, Alexander; Lyons, Alan M

2014-11-13

We describe physical-organic studies of singlet oxygen generation and transport into an aqueous solution supported on superhydrophobic surfaces on which silicon-phthalocyanine (Pc) particles are immobilized. Singlet oxygen ((1)O2) was trapped by a water-soluble anthracene compound and monitored in situ using a UV-vis spectrometer. When oxygen flows through the porous superhydrophobic surface, singlet oxygen generated in the plastron (i.e., the gas layer beneath the liquid) is transported into the solution within gas bubbles, thereby increasing the liquid-gas surface area over which singlet oxygen can be trapped. Higher photooxidation rates were achieved in flowing oxygen, as compared to when the gas in the plastron was static. Superhydrophobic surfaces were also synthesized so that the Pc particles were located in contact with, or isolated from, the aqueous solution to evaluate the relative effectiveness of singlet oxygen generated in solution and the gas phase, respectively; singlet oxygen generated on particles wetted by the solution was trapped more efficiently than singlet oxygen generated in the plastron, even in the presence of flowing oxygen gas. A mechanism is proposed that explains how Pc particle wetting, plastron gas composition and flow rate as well as gas saturation of the aqueous solution affect singlet oxygen trapping efficiency. These stable superhydrophobic surfaces, which can physically isolate the photosensitizer particles from the solution may be of practical importance for delivering singlet oxygen for water purification and medical devices.

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

NASA Technical Reports Server (NTRS)

Pratt, D. T.; Radhakrishnan, K.

1984-01-01

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

A study on the indirect urea dosing method in the Selective Catalytic Reduction system

NASA Astrophysics Data System (ADS)

Brzeżański, M.; Sala, R.

2016-09-01

This article presents the results of studies on concept solution of dosing urea in a gas phase in a selective catalytic reduction system. The idea of the concept was to heat-up and evaporate the water urea solution before introducing it into the exhaust gas stream. The aim was to enhance the processes of urea converting into ammonia, what is the target reductant for nitrogen oxides treatment. The study was conducted on a medium-duty Euro 5 diesel engine with exhaust line consisting of DOC catalyst, DPF filter and an SCR system with a changeable setup allowing to dose the urea in liquid phase (regular solution) and to dose it in a gas phase (concept solution). The main criteria was to assess the effect of physical state of urea dosed on the NOx conversion ratio in the SCR catalyst. In order to compare both urea dosing methods a special test procedure was developed which consisted of six test steps covering a wide temperature range of exhaust gas generated at steady state engine operation condition. Tests were conducted for different urea dosing quantities defined by the a equivalence ratio. Based on the obtained results, a remarkable improvement in NOx reduction was found for gas urea application in comparison to the standard liquid urea dosing. Measured results indicate a high potential to increase an efficiency of the SCR catalyst by using a gas phase urea and provide the basis for further scientific research on this type of concept.

Survey of Emissions Associated with Enclosed Combustor Emission Control Devices in the Denver-Julesburg Basin

NASA Astrophysics Data System (ADS)

Knighton, W. B.; Floerchinger, C. R.; Wormhoult, J.; Massoli, P.; Fortner, E.; Brooks, B.; Roscioli, J. R.; Bon, D.; Herndon, S. C.

2014-12-01

Volatile organic compounds (VOCs) play an important role in local and regional air quality. A large source of VOCs comes from the oil and gas industry and the Denver-Julesburg Basin (D-J Basin) has seen a sharp increase in production in recent years primarily due to advances in horizontal drilling techniques. To help curb emissions with extraction and production of natural gas and its associated oil, emission control devices are required for facilities emitting over 6 tons of hydrocarbons per year. Within the ozone non-attainment area, which encompasses Denver and much of the front range, enclosed combustion devices (enclosed flares) are required to reduce hydrocarbon emissions by at least 95%. While certification tests indicate that these enclosed combustor devices provide high destruction removal efficiencies, there is considerable interest in knowing how well they perform in the field. As part of Front Range Air Pollution and Photochemistry Experiment (FRAPPE) project conducted during the Summer of 2014, the Aerodyne Mobile Laboratory (AML) surveyed oil and gas operations within the Wattenberg gas field and the surrounding D-J Basin. The AML deployed a full suite of gas and particle phase instrumentation providing a comprehensive set of on-line, real-time measurements for the major natural gas components (methane and ethane) and their combustion products (CO2, CO, NOx) using a variety of spectroscopic techniques. Additional gas phase organic gas emissions were made using a proton transfer reaction mass spectrometer (PTR-MS). Particle number and composition were determined using a condensation particle counter and an Aerodyne Aerosol Mass Spectrometer (AMS). A summary of the number of enclosed combustor devices measured and their observed combustion efficiencies will be presented.

On the Relative "Transparency" of Gas-phase Coronene Molecules to Low-energy Electrons: Effects on the Interstellar Medium

NASA Astrophysics Data System (ADS)

Carelli, F.; Gianturco, F. A.

2011-12-01

Free, gas-phase polycyclic aromatic hydrocarbons (PAHs) are understood to play an important role in the interstellar medium (ISM), as they are thought to significantly contribute to both diffused and unidentified infrared interstellar bands. They are also considered fundamental blocks of the interstellar dust, whose nature has important implications for a plethora of physical and chemical nanoscopic processes within the ISM. Since free electrons represent a versatile alternative way to transport energy in the interstellar space, in this paper we compute from quantum scattering methods the angular redistributions of free electrons by gas-phase coronene molecules, the latter of which are believed to be one of the most representative PAHs, in order to assess their role in describing the efficiency of electron deflection by this molecule. The associated rates can provide useful information about the coupling mechanism between external radio-frequency fields and complex molecular plasmas containing neutral and ionized PAHs. They can also yield information on the possible presence of such species in the dust phase of the medium.

Behavior of macroporous vinyl silica and silica monolithic columns in high pressure gas chromatography.

PubMed

Maniquet, Adrien; Bruyer, Nicolas; Raffin, Guy; Baco-Antionali, Franck; Demesmay, Claire; Dugas, Vincent; Randon, Jérôme

2017-06-30

80% vinyltrimethoxysilane-based hybrid silica monoliths (80-VTMS), which have been initially developed for separation in reversed-phase liquid chromatography, have been investigated in high pressure gas chromatography separations (carrier gas pressure up to 60bar) and compared to silica monolithic columns. The behavior of both silica and 80-VTMS monolithic columns was investigated using helium, nitrogen and carbon dioxide as carrier gas. The efficiency of 80-VTMS monolithic columns was shown to vary differently than silica monolithic columns according to the temperature and the carrier gas used. Carrier gas nature was a significant parameter on the retention for both silica and vinyl columns in relation to its adsorption onto the stationary phase in such high pressure conditions. The comparison of retention and selectivity between 80-VTMS monoliths and silica was performed under helium using the logarithm of the retention factor according to the number of carbon atoms combined to Kovats indexes. The very good performances of these columns were demonstrated, allowing the separation of 8 compounds in less than 1min. Copyright © 2017 Elsevier B.V. All rights reserved.

Polymerization in the gas phase, in clusters, and on nanoparticle surfaces.

PubMed

El-Shall, M Samy

2008-07-01

Gas phase and cluster experiments provide unique opportunities to quantitatively study the effects of initiators, solvents, chain transfer agents, and inhibitors on the mechanisms of polymerization. Furthermore, a number of important phenomena, unique structures, and novel properties may exist during gas-phase and cluster polymerization. In this regime, the structure of the growing polymer may change dramatically and the rate coefficient may vary significantly upon the addition of a single molecule of the monomer. These changes would be reflected in the properties of the oligomers deposited from the gas phase. At low pressures, cationic and radical cationic polymerizations may proceed in the gas phase through elimination reactions. In the same systems at high pressure, however, the ionic intermediates may be stabilized, and addition without elimination may occur. In isolated van der Waals clusters of monomer molecules, sequential polymerization with several condensation steps can occur on a time scale of a few microseconds following the ionization of the gas-phase cluster. The cluster reactions, which bridge gas-phase and condensed-phase chemistry, allow examination of the effects of controlled states of aggregation. This Account describes several examples of gas-phase and cluster polymerization studies where the most significant results can be summarized as follows: (1) The carbocation polymerization of isobutene shows slower rates with increasing polymerization steps resulting from entropy barriers, which could explain the need for low temperatures for the efficient propagation of high molecular weight polymers. (2) Radical cation polymerization of propene can be initiated by partial charge transfer from an ionized aromatic molecule such as benzene coupled with covalent condensation of the associated propene molecules. This novel mechanism leads exclusively to the formation of propene oligomer ions and avoids other competitive products. (3) Structural information on the oligomers formed by gas-phase polymerization can be obtained using the mass-selected ion mobility technique where the measured collision cross-sections of the selected oligomer ions and collision-induced dissociation can provide fairly accurate structural identifications. The identification of the structures of the dimers and trimers formed in the gas-phase thermal polymerization of styrene confirms that the polymerization proceeds according to the Mayo mechanism. Similarly, the ion mobility technique has been utilized to confirm the formation of benzene cations by intracluster polymerization following the ionization of acetylene clusters. Finally, it has been shown that polymerization of styrene vapor on the surface of activated nanoparticles can lead to the incorporation of a variety of metal and metal oxide nanoparticles within polystyrene films. The ability to probe the reactivity and structure of the small growing oligomers in the gas phase can provide fundamental insight into mechanisms of polymerization that are difficult to obtain from condensed-phase studies. These experiments are also important for understanding the growth mechanisms of complex organics in flames, combustion processes, interstellar clouds, and solar nebula where gas-phase reactions, cluster polymerization, and surface catalysis on dust nanoparticles represent the major synthetic pathways. This research can lead to the discovery of novel initiation mechanisms and reaction pathways with applications in the synthesis of oligomers and nanocomposites with unique and improved properties.

Development of the Two Phase Flow Separator Experiment for a Reduced Gravity Aircraft Flight

NASA Technical Reports Server (NTRS)

Golliher, Eric; Gotti, Daniel; Owens, Jay; Gilkey, Kelly; Pham, Nang; Stehno, Philip

2016-01-01

The recent hardware development and testing of a reduced gravity aircraft flight experiment has provided valuable insights for the future design of the Two Phase Flow Separator Experiment (TPFSE). The TPFSE is scheduled to fly within the Fluids Integration Rack (FIR) aboard the International Space Station (ISS) in 2020. The TPFSE studies the operational limits of gas and liquid separation of passive cyclonic separators. A passive cyclonic separator utilizes only the inertia of the incoming flow to accomplish the liquid-gas separation. Efficient phase separation is critical for environmental control and life support systems, such as recovery of clean water from bioreactors, for long duration human spaceflight missions. The final low gravity aircraft flight took place in December 2015 aboard NASA's C9 airplane.

Numerical investigation of influence on heat transfer characteristics to pneumatically conveyed dense phase flow by selecting models and boundary conditions

NASA Astrophysics Data System (ADS)

Zheng, Y.; Liu, Q.; Li, Y.

2012-03-01

Solids moving with a gas stream in a pipeline can be found in many industrial processes, such as power generation, chemical, pharmaceutical, food and commodity transfer processes. A mass flow rate of the solids is important characteristic that is often required to be measured (and controlled) to achieve efficient utilization of energy and raw materials in pneumatic conveying systems. The methods of measuring the mass flow rate of solids in a pneumatic pipeline can be divided into direct and indirect (inferential) measurements. A thermal solids' mass flow-meter, in principle, should ideally provide a direct measurement of solids flow rate, regardless of inhomogeneities in solids' distribution and environmental impacts. One key issue in developing a thermal solids' mass flow-meter is to characterize the heat transfer between the hot pipe wall and the gas-solids dense phase flow. The Eulerian continuum modeling with gas-solid two phases is the most common method for pneumatic transport. To model a gas-solid dense phase flow passing through a heated region, the gas phase is described as a continuous phase and the particles as the second phase. This study aims to describe the heat transfer characteristics between the hot wall and the gas-solids dense phase flow in pneumatic pipelines by modeling a turbulence gas-solid plug passing through the heated region which involves several actual and crucial issues: selections of interphase exchange coefficient, near-wall region functions and different wall surface temperatures. A sensitivity analysis was discussed to identify the influence on the heat transfer characteristics by selecting different interphase exchange coefficient models and different boundary conditions. Simulation results suggest that sensitivity analysis in the choice of models is very significant. The simulation results appear to show that a combination of choosing the Syamlal-O'Brien interphase exchange coefficient model and the standard k-ɛ model along with the standard wall function model might be the best approach, by which, the simulation data seems to be closest to the experimental results.

On the Chemistry of Hydrides of N Atoms and O+ Ions

NASA Astrophysics Data System (ADS)

Awad, Zainab; Viti, Serena; Williams, David A.

2016-08-01

Previous work by various authors has suggested that the detection by Herschel/HIFI of nitrogen hydrides along the low-density lines of sight toward G10.6-0.4 (W31C) cannot be accounted for by gas-phase chemical models. In this paper we investigate the role of surface reactions on dust grains in diffuse regions, and we find that formation of the hydrides by surface reactions on dust grains with efficiency comparable to that for H2 formation reconciles models with observations of nitrogen hydrides. However, similar surface reactions do not contribute significantly to the hydrides of O+ ions detected by Herschel/HIFI that are present along many sight lines in the Galaxy. The O+ hydrides can be accounted for by conventional gas-phase chemistry either in diffuse clouds of very low density with normal cosmic-ray fluxes or in somewhat denser diffuse clouds with high cosmic-ray fluxes. Hydride chemistry in dense dark clouds appears to be dominated by gas-phase ion-molecule reactions.

The evolution of the metallicity gradient and the star formation efficiency in disc galaxies

NASA Astrophysics Data System (ADS)

Sillero, Emanuel; Tissera, Patricia B.; Lambas, Diego G.; Michel-Dansac, Leo

2017-12-01

We study the oxygen abundance profiles of the gas-phase components in hydrodynamical simulations of pre-prepared disc galaxies including major mergers, close encounters and isolated configurations. We analyse the evolution of the slope of oxygen abundance profiles and the specific star formation rate (sSFR) along their evolution. We find that galaxy-galaxy interactions could generate either positive or negative gas-phase oxygen profiles, depending on the state of evolution. Along the interaction, galaxies are found to have metallicity gradients and sSFR consistent with observations, on average. Strong gas inflows produced during galaxy-galaxy interactions or as a result of strong local instabilities in gas-rich discs are able to produce both a quick dilution of the central gas-phase metallicity and a sudden increase of the sSFR. Our simulations show that, during these events, a correlation between the metallicity gradients and the sSFR can be set up if strong gas inflows are triggered in the central regions in short time-scales. Simulated galaxies without experiencing strong disturbances evolve smoothly without modifying the metallicity gradients. Gas-rich systems show large dispersion along the correlation. The dispersion in the observed relation could be interpreted as produced by the combination of galaxies with different gas-richness and/or experiencing different types of interactions. Hence, our findings suggest that the observed relation might be the smoking gun of galaxies forming in a hierarchical clustering scenario.

Microwave atmospheric pressure plasma jets for wastewater treatment: Degradation of methylene blue as a model dye.

PubMed

García, María C; Mora, Manuel; Esquivel, Dolores; Foster, John E; Rodero, Antonio; Jiménez-Sanchidrián, César; Romero-Salguero, Francisco J

2017-08-01

The degradation of methylene blue in aqueous solution as a model dye using a non thermal microwave (2.45 GHz) plasma jet at atmospheric pressure has been investigated. Argon has been used as feed gas and aqueous solutions with different concentrations of the dye were treated using the effluent from plasma jet in a remote exposure. The removal efficiency increased as the dye concentration decreased from 250 to 5 ppm. Methylene blue degrades after different treatment times, depending on the experimental plasma conditions. Thus, kinetic constants up to 0.177 min -1 were obtained. The higher the Ar flow, the faster the degradation rate. Optical emission spectroscopy (OES) was used to gather information about the species present in the gas phase, specifically excited argon atoms. Argon excited species and hydrogen peroxide play an important role in the degradation of the dye. In fact, the conversion of methylene blue was directly related to the density of argon excited species in the gas phase and the concentration of hydrogen peroxide in the aqueous liquid phase. Values of energy yield at 50% dye conversion of 0.296 g/kWh were achieved. Also, the use of two plasma applicators in parallel has been proven to improve energy efficiency. Copyright © 2017 Elsevier Ltd. All rights reserved.

Water and complex organic chemistry in the cold dark cloud Barnard 5: Observations and Models

NASA Astrophysics Data System (ADS)

Wirström, Eva; Charnley, Steven B.; Taquet, Vianney; Persson, Carina M.

2015-08-01

Studies of complex organic molecule (COM) formation have traditionally been focused on hot cores in regions of massive star formation, where chemistry is driven by the elevated temperatures - evaporating ices and allowing for endothermic reactions in the gas-phase. As more sensitive instruments have become available, the types of objects known to harbour COMs like acetaldehyde (CH3CHO), dimethyl ether (CH3OCH3), methyl formate (CH3OCHO), and ketene (CH2CO) have expanded to include low mass protostars and, recently, even pre-stellar cores. We here report on the first in a new category of objects harbouring COMs: the cold dark cloud Barnard 5 where non-thermal ice desorption induce complex organic chemistry entirely unrelated to local star-formation.Methanol, which only forms efficiently on the surfaces of dust grains, provide evidence of efficient non-thermal desorption of ices in the form of prominent emission peaks offset from protostellar activity and high density tracers in cold molecular clouds. A study with Herschel targeting such methanol emission peaks resulted in the first ever detection of gas-phase water offset from protostellar activity in a dark cloud, at the so called methanol hotspot in Barnard 5.To model the effect a transient injection of ices into the gas-phase has on the chemistry of a cold, dark cloud we have included gas-grain interactions in an existing gas-phase chemical model and connected it to a chemical reaction network updated and expanded to include the formation and destruction paths of the most common COMs. Results from this model will be presented.Ground-based follow-up studies toward the methanol hotspot in B5 have resulted in the detection of a number of COMs, including CH2CO, CH3CHO, CH3OCH3, and CH3OCHO, as well as deuterated methanol (CH2DOH). Observations have also confirmed that COM emission is extended and not localised to a core structure. The implications of these observational and theoretical studies of B5 will be discussed in the context of the gas-grain interaction in dark clouds and its relation to the chemistry of the earliest phases of low-mass star formation.

Energy Conversion Alternatives Study (ECAS), Westinghouse phase 1. Volume 7: Metal vapor Rankine topping-steam bottoming cycles. [energy conversion efficiency in electric power plants

NASA Technical Reports Server (NTRS)

Deegan, P. B.

1976-01-01

Adding a metal vapor Rankine topper to a steam cycle was studied as a way to increase the mean temperature at which heat is added to the cycle to raise the efficiency of an electric power plant. Potassium and cesium topping fluids were considered. Pressurized fluidized bed or pressurized (with an integrated low-Btu gasifier) boilers were assumed. Included in the cycles was a pressurizing gas turbine with its associated recuperator, and a gas economizer and feedwater heater. One of the ternary systems studied shows plant efficiency of 42.3% with a plant capitalization of $66.7/kW and a cost of electricity of 8.19 mills/MJ (29.5 mills/kWh).

Macroalgae for CO 2 Capture and Renewable Energy - A Pilot Project

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wiley, Kristine

2011-01-31

The objective of this project was to demonstrate, at a pilot scale, the beneficial use of carbon dioxide (CO 2) through a technology designed to capture CO 2 from fossil-fuel fired power plant stack gas, generating macroalgae and converting the macroalgae at high efficiency to renewable methane that can be utilized in the power plant or introduced into a natural gas pipeline. The proposed pilot plant would demonstrate the cost-effectiveness and CO 2/ NO x flue-gas removal efficiency of an innovative algal scrubber technology where seaweeds are grown out of water on specially-designed supporting structures contained within greenhouses where themore » plants are constantly bathed by recycled nutrient sprays enriched by flue gas constituents. The work described in this document addresses Phase 1 of the project only. The scope of work for Phase 1 includes the completion of a preliminary design package; the collection of additional experimental data to support the preliminary and detailed design for a pilot scale utilization of CO 2 to cultivate macroalage and to process that algae to produce methane; and a technological and economic analysis to evaluate the potential of the system. Selection criteria for macroalgae that could survive the elevated temperatures and potential periodic desiccation of near desert project sites were identified. Samples of the selected macroalgae species were obtained and then subjected to anaerobic digestion to determine conversions and potential methane yields. A Process Design Package (PDP) was assembled that included process design, process flow diagram, material balance, instrumentation, and equipment list, sizes, and cost for the Phase 2 pilot plant. Preliminary economic assessments were performed under the various assumptions made, which are purposely conservative. Based on the results, additional development work should be conducted to delineate the areas for improving efficiency, reducing contingencies, and reducing overall costs.« less

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

PubMed

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

2010-03-01

An investigation was made into the emissions of polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) as well as inorganic gases (e.g. CO) from a wood fired combustion boiler using wood pellets, under two different boiler operating modes. Levels of total PAHs varied from 6.4 and 154 microg m(-3), and were found to be dominating in the gas phase (>80%), regardless of pellet type and boiler operating mode. In addition to this, PAH concentrations were higher in slumber mode than in full flame, and increased with the moisture content of pellets, consistent with the lower combustion efficiency in slumber mode (58.6-64.3%) than in full flame (74.4-82.3%). PAHs in the gas phase comprised mainly of low molecular mass compounds, while PAHs in the particulate phase were mostly composed of high molecular mass compounds, consistent with the physicochemical properties of such compounds. In comparison to PAHs, significantly lower concentrations of PCBs (a maximum of 2.5 microg m(-3)) were released from pellet combustion, consistent with the virgin nature of the pellets. The PCBs in both the gas and particulate phases were dominated by hexachlorinated congeners, although congeners with more chlorine substitution were more abundant in the particulate phase than in gas phase. Significant relationships were established between CO and organic pollutants, and between PAHs and PCBs, which are useful tools for prediction purposes. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

Staged, High-Pressure Oxy-Combustion Technology: Development and Scale-Up

DOE Office of Scientific and Technical Information (OSTI.GOV)

Axelbaum, Richard; Kumfer, Benjamin; Gopan, Akshay

The immediate need for a high efficiency, low cost carbon capture process has prompted the recent development of pressurized oxy-combustion. With a greater combustion pressure the dew point of the flue gas is increased, allowing for effective integration of the latent heat of flue gas moisture into the Rankine cycle. This increases the net plant efficiency and reduces costs. A novel, transformational process, named Staged, Pressurized Oxy-Combustion (SPOC), achieves additional step changes in efficiency and cost reduction by significantly reducing the recycle of flue gas. The research and development activities conducted under Phases I and II of this project (FE0009702)more » include: SPOC power plant cost and performance modeling, CFD-assisted design of pressurized SPOC boilers, theoretical analysis of radiant heat transfer and ash deposition, boiler materials corrosion testing, construction of a 100 kWth POC test facility, and experimental testing. The results of this project have advanced the technology readiness level (TRL) of the SPOC technology from 1 to 5.« less

Tests of a 2-Stage, Axial-Flow, 2-Phase Turbine

NASA Technical Reports Server (NTRS)

Elliott, D. G.

1982-01-01

A two phase flow turbine with two stages of axial flow impulse rotors was tested with three different working fluid mixtures at a shaft power of 30 kW. The turbine efficiency was 0.55 with nitrogen and water of 0.02 quality and 94 m/s velocity, 0.57 with Refrigerant 22 of 0.27 quality and 123 m/s velocity, and 0.30 with steam and water of 0.27 quality and 457 m/s velocity. The efficiencies with nitrogen and water and Refrigerant 22 were 86 percent of theoretical. At that fraction of theoretical, the efficiencies of optimized two phase turbines would be in the low 60 percent range with organic working fluids and in the mid 50 percent range with steam and water. The recommended turbine design is a two stage axial flow impulse turbine followed by a rotary separator for discharge of separate liquid and gas streams and recovery of liquid pressure.

BIOWINOL TECHNOLOGIES: A HYBRID GREEN PROCESS FOR BIOFUEL PRODUCTION – PHASE 2

EPA Science Inventory

The development of hollow fiber membrane (HFM) reactor will result in improved gas utilization that will positively impact overall process efficiencies. Successful completion of this project could result in the development of many decentralized biofuel production systems near ...

Development of a simple and sensitive method for the characterization of odorous waste gas emissions by means of solid-phase microextraction (SPME) and GC-MS/olfactometry.

PubMed

Kleeberg, K K; Liu, Y; Jans, M; Schlegelmilch, M; Streese, J; Stegmann, R

2005-01-01

A solid-phase microextraction (SPME) method has been developed for the extraction of odorous compounds from waste gas. The enriched compounds were characterized by gas chromatography-mass spectrometry (GC-MS) and gas chromatography followed by simultaneous flame ionization detection and olfactometry (GC-FID/O). Five different SPME fiber coatings were tested, and the carboxen/polydimethylsiloxane (CAR/PDMS) fiber showed the highest ability to extract odorous compounds from the waste gas. Furthermore, parameters such as exposure time, desorption temperature, and desorption time have been optimized. The SPME method was successfully used to characterize an odorous waste gas from a fat refinery prior to and after waste gas treatment in order to describe the treatment efficiency of the used laboratory scale plant which consisted of a bioscrubber/biofilter combination and an activated carbon adsorber. The developed method is a valuable approach to provide detailed information of waste gas composition and complements existing methods for the determination of odors. However, caution should be exercised if CAR/PDMS fibers are used for the quantification of odorous compounds in multi-component matrices like waste gas emissions since the relative affinity of each analyte was shown to differ according to the total amount of analytes present in the sample.

Numerical simulation of gas-phonon coupling in thermal transpiration flows.

PubMed

Guo, Xiaohui; Singh, Dhruv; Murthy, Jayathi; Alexeenko, Alina A

2009-10-01

Thermal transpiration is a rarefied gas flow driven by a wall temperature gradient and is a promising mechanism for gas pumping without moving parts, known as the Knudsen pump. Obtaining temperature measurements along capillary walls in a Knudsen pump is difficult due to extremely small length scales. Meanwhile, simplified analytical models are not applicable under the practical operating conditions of a thermal transpiration device, where the gas flow is in the transitional rarefied regime. Here, we present a coupled gas-phonon heat transfer and flow model to study a closed thermal transpiration system. Discretized Boltzmann equations are solved for molecular transport in the gas phase and phonon transport in the solid. The wall temperature distribution is the direct result of the interfacial coupling based on mass conservation and energy balance at gas-solid interfaces and is not specified a priori unlike in the previous modeling efforts. Capillary length scales of the order of phonon mean free path result in a smaller temperature gradient along the transpiration channel as compared to that predicted by the continuum solid-phase heat transfer. The effects of governing parameters such as thermal gradients, capillary geometry, gas and phonon Knudsen numbers and, gas-surface interaction parameters on the efficiency of thermal transpiration are investigated in light of the coupled model.

Tailoring gas-phase CO2 electroreduction selectivity to hydrocarbons at Cu nanoparticles

NASA Astrophysics Data System (ADS)

Merino-Garcia, I.; Albo, J.; Irabien, A.

2018-01-01

Copper-based surfaces appear as the most active catalysts for CO2 electroreduction to hydrocarbons, even though formation rates and efficiencies still need to be improved. The aim of the present work is to evaluate the continuous gas-phase CO2 electroreduction to hydrocarbons (i.e. ethylene and methane) at copper nanoparticulated-based surfaces, paying attention to particle size influence (ranging from 25-80 nm) on reaction productivity, selectivity, and Faraday efficiency (FE) for CO2 conversion. The effect of the current density and the presence of a microporous layer within the working electrode are then evaluated. Copper-based gas diffusion electrodes are prepared by airbrushing the catalytic ink onto carbon supports, which are then coupled to a cation exchange membrane (Nafion) in a membrane electrode assembly. The results show that the use of smaller copper nanoparticles (25 nm) leads to a higher ethylene production (1148 μmol m-2 s-1) with a remarkable high FE (92.8%), at the same time, diminishing the competitive hydrogen evolution reaction in terms of FE. This work demonstrates the importance of nanoparticle size on reaction selectivity, which may be of help to design enhanced electrocatalytic materials for CO2 valorization to hydrocarbons.

Gas release-based prescreening combined with reversed-phase HPLC quantitation for efficient selection of high-γ-aminobutyric acid (GABA)-producing lactic acid bacteria.

PubMed

Wu, Qinglong; Shah, Nagendra P

2015-02-01

High γ-aminobutyric acid (GABA)-producing lactobacilli are promising for the manufacture of GABA-rich foods and to synthesize GRAS (generally recognized as safe)-grade GABA. However, common chromatography-based screening is time-consuming and inefficient. In the present study, Korean kimchi was used as a model of lactic acid-based fermented foods, and a gas release-based prescreening of potential GABA producers was developed. The ability to produce GABA by potential GABA producers in de Man, Rogosa, and Sharpe medium supplemented with or without monosodium glutamate was further determined by HPLC. Based on the results, 9 isolates were regarded as high GABA producers, and were further genetically identified as Lactobacillus brevis based on the sequences of 16S rRNA gene. Gas release-based prescreening combined with reversed-phase HPLC confirmation was an efficient and cost-effective method to identify high-GABA-producing LAB, which could be good candidates for probiotics. The GABA that is naturally produced by these high-GABA-producing LAB could be used as a food additive. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Formation of Carbamate Anions by the Gas-phase Reaction of Anilide Ions with CO2

NASA Astrophysics Data System (ADS)

Liu, Chongming; Nishshanka, Upul; Attygalle, Athula B.

2016-05-01

The anilide anion ( m/z 92) generated directly from aniline, or indirectly as a fragmentation product of deprotonated acetanilide, captures CO2 readily to form the carbamate anion ( m/z 136) in the collision cell, when CO2 is used as the collision gas in a tandem-quadrupole mass spectrometer. The gas-phase affinity of the anilide ion to CO2 is significantly higher than that of the phenoxide anion ( m/z 93), which adds to CO2 only very sluggishly. Our results suggest that the efficacy of CO2 capture depends on the natural charge density on the nitrogen atom, and relative nucleophilicity of the anilide anion. Generally, conjugate bases generated from aniline derivatives with proton affinities (PA) less than 350 kcal/mol do not tend to add CO2 to form gaseous carbamate ions. For example, the anion generated from p-methoxyaniline (PA = 367 kcal/mol) reacts significantly faster than that obtained from p-nitroaniline (PA = 343 kcal/mol). Although deprotonated p-aminobenzoic acid adds very poorly because the negative charge is now located primarily on the carboxylate group, it reacts more efficiently with CO2 if the carboxyl group is esterified. Moreover, mixture of CO2 and He as the collision gas was found to afford more efficient adduct formation than CO2 alone, or as mixtures made with nitrogen or argon, because helium acts as an effective "cooling" gas and reduces the internal energy of reactant ions.

Biological groundwater denitrification systems: Lab-scale trials aimed at nitrous oxide production and emission assessment.

PubMed

Capodici, Marco; Avona, Alessia; Laudicina, Vito Armando; Viviani, Gaspare

2018-07-15

Bio-trenches are a sustainable option for treating nitrate contamination in groundwater. However, a possible side effect of this technology is the production of nitrous oxide, a greenhouse gas that can be found both dissolved in the liquid effluent as well as emitted as off gas. The aim of this study was to analyze NO 3 - removal and N 2 O production in lab-scale column trials. The column contained olive nut as organic carbon media. The experimental study was divided into three phases (I, II and III) each characterized by different inlet NO 3 - concentrations (30, 50, 75mgNO 3 -NL -1 respectively). Sampling ports deployed along the length of the column allowed to observe the denitrification process as well as the formation and consumption of intermediate products, such as nitrite (NO 2 - ) and nitrous oxide (N 2 O). In particular, it was observed that N 2 O production represent only a small fraction of removed NO 3 - during Phase I and II, both for dissolved (0.007%) and emitted (0.003%) phase, and it was recorded a high denitrification efficiency, over 99%. Nevertheless, significantly higher values were recorded for Phase 3 concerning emitted phase (0.018%). This fact is due to increased inlet concentration which resulted in a carbon limitation and in a consequent decrease in denitrification efficiency (76%). Copyright © 2018 Elsevier B.V. All rights reserved.

Acoustic agglomeration methods and apparatus

NASA Technical Reports Server (NTRS)

Barmatz, M. B. (Inventor)

1984-01-01

Methods are described for using acoustic energy to agglomerate fine particles on the order of one micron diameter that are suspended in gas, to provide agglomerates large enough for efficient removal by other techniques. The gas with suspended particles, is passed through the length of a chamber while acoustic energy at a resonant chamber mode is applied to set up one or more acoustic standing wave patterns that vibrate the suspended particles to bring them together so they agglomerate. Several widely different frequencies can be applied to efficiently vibrate particles of widely differing sizes. The standing wave pattern can be applied along directions transversed to the flow of the gas. The particles can be made to move in circles by applying acoustic energy in perpendicular directions with the energy in both directions being of the same wavelength but 90 deg out of phase.

NASA Environmentally Responsible Aviation's Highly-Loaded Front Block Compressor Demonstration

NASA Technical Reports Server (NTRS)

Celestina, Mark

2016-01-01

This presentation will detail the work done to improve thermal efficiency in the compression process of a gas turbine engine for aircraft applications under NASAs Environmentally Responsible Aviation Project. The talk will present the goals and objectives of the work and show the activity of both Phase 1 and Phase 2 tests and analysis. The summary shows the projected fuel burn savings achieved through system studies.

Phased-array laser radar: Concept and application

NASA Technical Reports Server (NTRS)

Kadrmas, K. A.

1973-01-01

The design and construction of a coaxial transmitter-receiver combination was investigated. Major emphasis was placed on simple permanent optical alignment, transmitter-receiver field of view matching, use of a pulsed gas laser as a transmitter maximum optical efficiency, complete digital control of data acquisition, and optical mount pointing and tracking. Also a means of expanding the coaxial transmitter-receiver concept to allow phased-array lidar, par-lidar was described.

Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.

PubMed

Lin, Shiang-Tai; Maiti, Prabal K; Goddard, William A

2010-06-24

Presented here is the two-phase thermodynamic (2PT) model for the calculation of energy and entropy of molecular fluids from the trajectory of molecular dynamics (MD) simulations. In this method, the density of state (DoS) functions (including the normal modes of translation, rotation, and intramolecular vibration motions) are determined from the Fourier transform of the corresponding velocity autocorrelation functions. A fluidicity parameter (f), extracted from the thermodynamic state of the system derived from the same MD, is used to partition the translation and rotation modes into a diffusive, gas-like component (with 3Nf degrees of freedom) and a nondiffusive, solid-like component. The thermodynamic properties, including the absolute value of entropy, are then obtained by applying quantum statistics to the solid component and applying hard sphere/rigid rotor thermodynamics to the gas component. The 2PT method produces exact thermodynamic properties of the system in two limiting states: the nondiffusive solid state (where the fluidicity is zero) and the ideal gas state (where the fluidicity becomes unity). We examine the 2PT entropy for various water models (F3C, SPC, SPC/E, TIP3P, and TIP4P-Ew) at ambient conditions and find good agreement with literature results obtained based on other simulation techniques. We also validate the entropy of water in the liquid and vapor phases along the vapor-liquid equilibrium curve from the triple point to the critical point. We show that this method produces converged liquid phase entropy in tens of picoseconds, making it an efficient means for extracting thermodynamic properties from MD simulations.

Investigation of fragrance stability used in the formulation of cosmetic and hygienic products using headspace solid-phase microextraction by nanostructured materials followed by gas chromatography with mass spectrometry.

PubMed

Masoum, Saeed; Gholami, Ali; Ghaheri, Salehe; Bouveresse, Delphine Jouan-Rimbaud; Cordella, Christophe B Y; Rutledge, Douglas N

2016-07-01

A new composite coating of polypyrrole and sodium lauryl ether sulfate was electrochemically prepared on a stainless-steel wire using cyclic voltammetry. The application and performance of the fiber was evaluated for the headspace solid-phase microextraction of a fragrance in aqueous bleach samples followed by gas chromatography combined with mass spectrometry to assess the fragrance stability in this kind of household cleaning product. To obtain a stable and efficient composite coating, parameters related to the coating process such as scan rate and numbers of cycles were optimized using a central composite design. In addition, the effects of various parameters on the extraction efficiency of the headspace solid-phase microextraction process such as extraction temperature and time, ionic strength, sample volume, and stirring rate were investigated by experimental design methods using Plackett-Burman and Doehlert designs. The optimum values of 53°C and 28 min for sample temperature and time, respectively, were found through response surface methodology. Results show that the combination of polypyrrole and sodium lauryl ether sulfate in a composite form presents desirable opportunities to produce new materials to study fragrance stability by headspace solid-phase microextraction. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

PCDD/F emissions during startup and shutdown of a hazardous waste incinerator.

PubMed

Li, Min; Wang, Chao; Cen, Kefa; Ni, Mingjiang; Li, Xiaodong

2017-08-01

Compared with municipal solid waste incineration, studies on the PCDD/F emissions of hazardous waste incineration (HWI) under transient conditions are rather few. This study investigates the PCDD/F emission level, congener profile and removal efficiency recorded during startup and shutdown by collecting flue gas samples at the bag filter inlet and outlet and at the stack. The PCDD/F concentration measured in the stack gas during startup and shutdown were 0.56-4.16 ng I-TEQ Nm -3 and 1.09-3.36 ng I-TEQ Nm -3 , respectively, far exceeding the present codes in China. The total amount of PCDD/F emissions, resulting from three shutdown-startup cycles of this HWI-unit is almost equal to that generated during one year under normal operating conditions. Upstream the filter, the PCDD/F in the flue gas is mainly in the particle phase; however, after being filtered PCDD/F prevails in the gas phase. The PCDD/F fraction in the gas phase even exceeds 98% after passing through the alkaline scrubber. Especially higher chlorinated PCDD/F accumulate on inner walls of filters and ducts during these startup periods and could be released again during normal operation, significantly increasing PCDD/F emissions. Copyright © 2017. Published by Elsevier Ltd.

The gas fluxing of aluminum: Mathematical modeling and experimental investigations

NASA Astrophysics Data System (ADS)

Fjeld, Autumn Marie

Chlorine fluxing is an essential purification step in aluminum refining in which impurities such as Ca, Na, Li, and Mg are removed by bubbling a mixture of chlorine and argon gas through molten aluminum. The gas is injected into the fluxing vessel through a rotating shaft and impeller which simultaneously agitates the melt, while breaking up and dispersing gas bubbles through the liquid phase. The efficiency of impurity removal and control of toxic chlorine and chloride emissions are dependent upon the extent of gas dispersion or mixing, residence time of the bubbles, and surface area of the bubbles. Clearly the gas injection and distribution within the liquid metal cannot be directly observed and such operations are often poorly controlled and not well understood. Problems arise when the injection gas, i.e. chlorine, is not completely consumed by reaction with impurities and the excess is reported as emissions of chlorides such as toxic HCl. The intention is to improve the technology to eliminate this waste (saving on the energy entailed in the chlorine production and reducing pollution) by better dispersion of the injected gas throughout the metal. Previous experimental investigations using a capacitance probe, capable of immersion in liquid aluminum for several hours, have been carried out to detect bubbles in an industrial fluxing unit at the Alcoa Technical Center. Bubble frequency data have shown the bubbles to be fairly well dispersed in the areas of the fluxing unit, decreasing in observed bubble frequency with increasing distance from the impeller (source of gas injection). To gain further insight and add to our experimental findings, two computational models have been developed to simulate the complex two-phase fluid dynamics of a rotary gas injection system. The results of these two modeling approaches are presented and analyzed and compared to experimental bubble measurements gathered using the capacitance probe. Bubble size distributions and residence times from the discrete phase model were incorporated in an external demagging reaction model to predict chlorine utilization efficiency. This simplified model included several assumptions regarding the kinetics and reaction path, however the model showed reasonable agreement to prior experimental magnesium removal data and provides valuable information related to the interplay of reaction progress in a fluxing unit and the fluid dynamics, in terms of bubble size, trajectory and resulting bubble residence time.

Experimental and theoretical investigation of LNAPL movement in stratified media during soil remediation.

PubMed

Lashanizadegan, A; Ayatollahi, Sh; Kazemi, H

2007-07-01

The saturation distribution and clean up efficiency of light non-aqueous phase liquid (LNAPL) in the strata beneath the earth has been the subject of many studies. Better understanding of LNAPL infiltration into layered soil is important for the effective design of remediation strategies. The objective of this study was to simulate LNAPL movement in homogenous and stratified porous media using gravity assisted inert gas injection (GAIGI) process as a cleaning technique. We used homogeneous and layered sandpacked transparent models that allows for visual observation of LNAPL movement in order to study LNAPL redistribution in a layered porous medium. Pore volume, porosity, absolute permeability, connate water saturation, and oil saturation of the models were determined experimentally. Seasonal water table movement and contaminated zone were established and then, under GAIGI process, clean up efficiency was determined. The downward displacement of LNAPL by gas drive resulted in very high LNAPL clean up efficiency. Using the contaminant production history in the homogeneous model, the LNAPL relative permeability was calculated and the results were extended to layered media. The numerical multi-phase flow model in porous media was validated with regard to the experimental results. This model is able to adequately reproduce the experimental LNAPL saturation profile and clean up efficiency.

Attachment of chloride anion to sugars: mechanistic investigation and discovery of a new dopant for efficient sugar ionization/detection in mass spectrometers.

PubMed

Boutegrabet, Lemia; Kanawati, Basem; Gebefügi, Istvan; Peyron, Dominique; Cayot, Philippe; Gougeon, Régis D; Schmitt-Kopplin, Philippe

2012-10-08

A new method for efficient ionization of sugars in the negative-ion mode of electrospray mass spectrometry is presented. Instead of using strongly hydrophobic dopants such as dichloromethane or chloroform, efficient ionization of sugars has been achieved by using aqueous HCl solution for the first time. This methodology makes it possible to use hydrophilic dopants, which are more appropriate for chromatographic separation techniques with efficient sugar ionization and detection in mass spectrometry. The interaction between chloride anions and monosaccharides (glucose and galactose) was studied by DFT in the gas phase and by implementing the polarizable continuum model (PCM) for calculations in solution at the high B3LYP/6-31+G(d,p)//B3LYP/6-311+G(2d,p) level of theory. In all optimized geometries of identified [M+Cl](-) anions, a non-covalent interaction exists. Differences were revealed between monodentate and bidentate complex anions, with the latter having noticeably higher binding energies. The calculated affinity of glucose and galactose toward the chloride anion in the gas phase and their chloride anion binding energies in solution are in excellent agreement with glucose and galactose [M+Cl](-) experimental intensity profiles that are represented as a function of the chloride ion concentration. Density functional calculations of gas-phase affinities toward chloride anion were also performed for the studied disaccharides sucrose and gentiobiose. All calculations are in excellent agreement with the experimental data. An example is introduced wherein HCl was used to effectively ionize sugars and form chlorinated adduct anions to detect sugars and glycosylated metabolites (anthocyanins) in real biological systems (Vitis vinifera grape extracts and wines), whereas they would not have been easily detectable under standard infusion electrospray mass spectrometry conditions as deprotonated species. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Biodegradation of high concentrations of benzene vapors in a two phase partition stirred tank bioreactor.

PubMed

Karimi, Ali; Golbabaei, Farideh; Neghab, Masoud; Pourmand, Mohammad Reza; Nikpey, Ahmad; Mohammad, Kazem; Mehrnia, Momammad Reza

2013-01-15

The present study examined the biodegradation rate of benzene vapors in a two phase stirred tank bioreactor by a bacterial consortium obtained from wastewater of an oil industry refinery house. Initially, the ability of the microbial consortium for degrading benzene was evaluated before running the bioreactor. The gaseous samples from inlet and outlet of bioreactor were directly injected into a gas chromatograph to determine benzene concentrations. Carbone oxide concentration at the inlet and outlet of bioreactor were also measured with a CO2 meter to determine the mineralization rate of benzene. Influence of the second non-aqueous phase (silicon oil) has been emphasized, so at the first stage the removal efficiency (RE) and elimination capacity (EC) of benzene vapors were evaluated without any organic phase and in the second stage, 10% of silicon oil was added to bioreactor media as an organic phase. Addition of silicon oil increased the biodegradation performance up to an inlet loading of 5580 mg/m3, a condition at which, the elimination capacity and removal efficiency were 181 g/m3/h and 95% respectively. The elimination rate of benzene increased by 38% in the presence of 10% of silicone oil. The finding of this study demonstrated that two phase partition bioreactors (TPPBs) are potentially effective tools for the treatment of gas streams contaminated with high concentrations of poorly water soluble organic contaminant, such as benzene.

Multivariate analysis of the volatile components in tobacco based on infrared-assisted extraction coupled to headspace solid-phase microextraction and gas chromatography-mass spectrometry.

PubMed

Yang, Yanqin; Pan, Yuanjiang; Zhou, Guojun; Chu, Guohai; Jiang, Jian; Yuan, Kailong; Xia, Qian; Cheng, Changhe

2016-11-01

A novel infrared-assisted extraction coupled to headspace solid-phase microextraction followed by gas chromatography with mass spectrometry method has been developed for the rapid determination of the volatile components in tobacco. The optimal extraction conditions for maximizing the extraction efficiency were as follows: 65 μm polydimethylsiloxane-divinylbenzene fiber, extraction time of 20 min, infrared power of 175 W, and distance between the infrared lamp and the headspace vial of 2 cm. Under the optimum conditions, 50 components were found to exist in all ten tobacco samples from different geographical origins. Compared with conventional water-bath heating and nonheating extraction methods, the extraction efficiency of infrared-assisted extraction was greatly improved. Furthermore, multivariate analysis including principal component analysis, hierarchical cluster analysis, and similarity analysis were performed to evaluate the chemical information of these samples and divided them into three classifications, including rich, moderate, and fresh flavors. The above-mentioned classification results were consistent with the sensory evaluation, which was pivotal and meaningful for tobacco discrimination. As a simple, fast, cost-effective, and highly efficient method, the infrared-assisted extraction coupled to headspace solid-phase microextraction technique is powerful and promising for distinguishing the geographical origins of the tobacco samples coupled to suitable chemometrics. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermodynamic Considerations of Contamination by Alloying Elements of Remelted End-of-Life Nickel- and Cobalt-Based Superalloys

NASA Astrophysics Data System (ADS)

Lu, Xin; Matsubae, Kazuyo; Nakajima, Kenichi; Nakamura, Shinichiro; Nagasaka, Tetsuya

2016-06-01

Cobalt and nickel are high-value commodity metals and are mostly used in the form of highly alloyed materials. The alloying elements used may cause contamination problems during recycling. To ensure maximum resource efficiency, an understanding of the removability of these alloying elements and the controllability of some of the primary alloying elements is essential with respect to the recycling of end-of-life (EoL) nickel- and cobalt-based superalloys by remelting. In this study, the distribution behaviors of approximately 30 elements that are usually present in EoL nickel- and cobalt-based superalloys in the solvent metal (nickel, cobalt, or nickel-cobalt alloy), oxide slag, and gas phases during the remelting were quantitatively evaluated using a thermodynamic approach. The results showed that most of the alloying elements can be removed either in the slag phase or into the gas phase. However, the removal of copper, tin, arsenic, and antimony by remelting is difficult, and they remain as tramp elements during the recycling. On the other hand, the distribution tendencies of iron, molybdenum, and tungsten can be controlled by changing the remelting conditions. To increase the resource efficiency of recycling, preventing contamination by the tramp elements and identifying the alloying compositions of EoL superalloys are significantly essential, which will require the development of efficient prior alloy-sorting systems and advanced separation technologies.

Pulsed corona discharge: the role of ozone and hydroxyl radical in aqueous pollutants oxidation.

PubMed

Preis, S; Panorel, I C; Kornev, I; Hatakka, H; Kallas, J

2013-01-01

Ozone and hydroxyl radical are the most active oxidizing species in water treated with gas-phase pulsed corona discharge (PCD). The ratio of the species dependent on the gas phase composition and treated water contact surface was the objective for the experimental research undertaken for aqueous phenol (fast reaction) and oxalic acid (slow reaction) solutions. The experiments were carried out in the reactor, where aqueous solutions showered between electrodes were treated with 100-ns pulses of 20 kV voltage and 400 A current amplitude. The role of ozone increased with increasing oxygen concentration and the oxidation reaction rate. The PCD treatment showed energy efficiency surpassing that of conventional ozonation.

Immersion Cooling of Electronics in DoD Installations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coles, Henry; Herrlin, Magnus

A considerable amount of energy is consumed to cool electronic equipment in data centers. A method for substantially reducing the energy needed for this cooling was demonstrated. The method involves immersing electronic equipment in a non-conductive liquid that changes phase from a liquid to a gas. The liquid used was 3M Novec 649. Two-phase immersion cooling using this liquid is not viable at this time. The primary obstacles are IT equipment failures and costs. However, the demonstrated technology met the performance objectives for energy efficiency and greenhouse gas reduction. Before commercialization of this technology can occur, a root cause analysismore » of the failures should be completed, and the design changes proven.« less

Development of an Efficient Meso- scale Multi-phase Flow Solver in Nuclear Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Taehun

2015-10-20

The proposed research aims at formulating a predictive high-order Lattice Boltzmann Equation for multi-phase flows relevant to nuclear energy related application - namely, saturated and sub-cooled boiling in reactors, and liquid- liquid mixing and extraction for fuel cycle separation. An efficient flow solver will be developed based on the Finite Element based Lattice Boltzmann Method (FE- LBM), accounting for phase-change heat transfer and capable of treating multiple phases over length scales from the submicron to the meter. A thermal LBM will be developed in order to handle adjustable Prandtl number, arbitrary specific heat ratio, a wide range of temperature variations,more » better numerical stability during liquid-vapor phase change, and full thermo-hydrodynamic consistency. Two-phase FE-LBM will be extended to liquid–liquid–gas multi-phase flows for application to high-fidelity simulations building up from the meso-scale up to the equipment sub-component scale. While several relevant applications exist, the initial applications for demonstration of the efficient methods to be developed as part of this project include numerical investigations of Critical Heat Flux (CHF) phenomena in nuclear reactor fuel bundles, and liquid-liquid mixing and interfacial area generation for liquid-liquid separations. In addition, targeted experiments will be conducted for validation of this advanced multi-phase model.« less

Fabrication and analysis of Cr-doped ZnO nanoparticles from the gas phase.

PubMed

Schneider, L; Zaitsev, S V; Jin, W; Kompch, A; Winterer, M; Acet, M; Bacher, G

2009-04-01

High quality Cr-doped ZnO nanoparticles from the gas phase were prepared and investigated with respect to their structural, optical and magnetic properties. The extended x-ray absorption fine structure and the x-ray absorption near edge structure of the particles verify that after nanoparticle preparation Cr is incorporated as Cr3+ ) at least partially on sites with a 4-fold oxygen configuration, most likely on a Zn site, into the wurtzite lattice. Despite the fact that Cr is known to act as an efficient non-radiative loss centre for near band gap emission (NBE), a pronounced NBE is obtained up to room temperature even for a nominal Cr concentration of 10 at.%. Annealing at 1000 degrees C results in a significant improvement of the photoluminescence efficiency and a reduced PL linewidth down to 2.9 meV at low temperatures while the structural and magnetic data indicate the formation of ZnCr2O4 clusters.

Role of size, composition and substrate in controlling the reactivity of α(0001)-Al2O3 supported AgnAum (n + m = 2 - 4) alloy clusters for CO-oxidation: A comprehensive density functional study

NASA Astrophysics Data System (ADS)

Singh, Akansha; Majumder, Chiranjib; Sen, Prasenjit

2018-03-01

Catalytic efficiency of gas phase and alumina-supported bimetallic AgnAum (n + m = 2 - 4) alloy clusters is studied using density functional methods As a pre-requite, adsorption of O2 and CO molecules, and co-adsorption of both molecules on these clusters are studied in detail. O2 and CO are co-adsorbed on nearby sites on the gas phase tetramer clusters Ag2Au2 and Ag3Au. But their catalytic efficiency is hindered by large barriers (1.55 eV and 1.44 eV, respectively) to the breaking of Osbnd O bond. Among the deposited clusters, Ag2Au and AgAu2 have O2 and CO co-adsorbed on nearby locations. Of these two, Ag2Au has a lower kinetic barrier for subsequent CO2 formation. Thus Ag2Au looks the most promising candidate.

Optimization and phase matching of fiber-laser-driven high-order harmonic generation at high repetition rate.

PubMed

Cabasse, Amélie; Machinet, Guillaume; Dubrouil, Antoine; Cormier, Eric; Constant, Eric

2012-11-15

High-repetition-rate sources are very attractive for high-order harmonic generation (HHG). However, due to their pulse characteristics (low energy, long duration), those systems require a tight focusing geometry to achieve the necessary intensity to generate harmonics. In this Letter, we investigate theoretically and experimentally the optimization of HHG in this geometry, to maximize the extreme UV (XUV) photon flux and improve the conversion efficiency. We analyze the influence of atomic gas media (Ar, Kr, or Xe), gas pressure, and interaction geometries (a gas jet and a finite and a semi-infinite gas cell). Numerical simulations allow us to define optimal conditions for HHG in this tight focusing regime and to observe the signature of on-axis phase matching. These conditions are implemented experimentally using a high-repetition-rate Yb-doped fiber laser system. We achieve optimization of emission with a recorded XUV photon flux of 4.5×10(12) photons/s generated in Xe at 100 kHz repetition rate.

Carbon-Based Honeycomb Monoliths for Environmental Gas-Phase Applications

PubMed Central

Moreno-Castilla, Carlos; Pérez-Cadenas, Agustín F.

2010-01-01

Honeycomb monoliths consist of a large number of parallel channels that provide high contact efficiencies between the monolith and gas flow streams. These structures are used as adsorbents or supports for catalysts when large gas volumes are treated, because they offer very low pressure drop, short diffusion lengths and no obstruction by particulate matter. Carbon-based honeycomb monoliths can be integral or carbon-coated ceramic monoliths, and they take advantage of the versatility of the surface area, pore texture and surface chemistry of carbon materials. Here, we review the preparation methods of these monoliths, their characteristics and environmental applications.

Coal-fired high performance power generating system. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

As a result of the investigations carried out during Phase 1 of the Engineering Development of Coal-Fired High-Performance Power Generation Systems (Combustion 2000), the UTRC-led Combustion 2000 Team is recommending the development of an advanced high performance power generation system (HIPPS) whose high efficiency and minimal pollutant emissions will enable the US to use its abundant coal resources to satisfy current and future demand for electric power. The high efficiency of the power plant, which is the key to minimizing the environmental impact of coal, can only be achieved using a modern gas turbine system. Minimization of emissions can bemore » achieved by combustor design, and advanced air pollution control devices. The commercial plant design described herein is a combined cycle using either a frame-type gas turbine or an intercooled aeroderivative with clean air as the working fluid. The air is heated by a coal-fired high temperature advanced furnace (HITAF). The best performance from the cycle is achieved by using a modern aeroderivative gas turbine, such as the intercooled FT4000. A simplified schematic is shown. In the UTRC HIPPS, the conversion efficiency for the heavy frame gas turbine version will be 47.4% (HHV) compared to the approximately 35% that is achieved in conventional coal-fired plants. This cycle is based on a gas turbine operating at turbine inlet temperatures approaching 2,500 F. Using an aeroderivative type gas turbine, efficiencies of over 49% could be realized in advanced cycle configuration (Humid Air Turbine, or HAT). Performance of these power plants is given in a table.« less

The O₂-enriched air gasification of coal, plastics and wood in a fluidized bed reactor.

PubMed

Mastellone, Maria Laura; Zaccariello, Lucio; Santoro, Donato; Arena, Umberto

2012-04-01

The effect of oxygen-enriched air during fluidized bed co-gasification of a mixture of coal, plastics and wood has been investigated. The main components of the obtained syngas were measured by means of on-line analyzers and a gas chromatograph while those of the condensate phase were off-line analysed by means of a gas chromatography-mass spectrometer (GC-MS). The characterization of condensate phase as well as that of the water used as scrubbing medium completed the performed diagnostics. The experimental results were further elaborated in order to provide material and substances flow analyses inside the plant boundaries. These analyses allowed to obtain the main substance distribution between solid, gaseous and condensate phases and to estimate the conversion efficiency of carbon and hydrogen but also to easily visualise the waste streams produced by the process. The process performance was then evaluated on the basis of parameters related to the conversion efficiency of fuels into valuable products (i.e. by considering tar and particulate as process losses) as well as those related to the energy recovery. Copyright © 2011 Elsevier Ltd. All rights reserved.

Charge transfer reactions between gas-phase hydrated electrons, molecular oxygen and carbon dioxide at temperatures of 80-300 K.

PubMed

Akhgarnusch, Amou; Tang, Wai Kit; Zhang, Han; Siu, Chi-Kit; Beyer, Martin K

2016-09-14

The recombination reactions of gas-phase hydrated electrons (H2O)n˙(-) with CO2 and O2, as well as the charge exchange reaction of CO2˙(-)(H2O)n with O2, were studied by Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry in the temperature range T = 80-300 K. Comparison of the rate constants with collision models shows that CO2 reacts with 50% collision efficiency, while O2 reacts considerably slower. Nanocalorimetry yields internally consistent results for the three reactions. Converted to room temperature condensed phase, this yields hydration enthalpies of CO2˙(-) and O2˙(-), ΔHhyd(CO2˙(-)) = -334 ± 44 kJ mol(-1) and ΔHhyd(O2˙(-)) = -404 ± 28 kJ mol(-1). Quantum chemical calculations show that the charge exchange reaction proceeds via a CO4˙(-) intermediate, which is consistent with a fully ergodic reaction and also with the small efficiency. Ab initio molecular dynamics simulations corroborate this picture and indicate that the CO4˙(-) intermediate has a lifetime significantly above the ps regime.

Performance characteristics of a slagging gasifier for MHD combustor systems

NASA Technical Reports Server (NTRS)

Smith, K. O.

1979-01-01

The performance of a two stage, coal combustor concept for magnetohydrodynamic (MHD) systems was investigated analytically. The two stage MHD combustor is comprised of an entrained flow, slagging gasifier as the first stage, and a gas phase reactor as the second stage. The first stage was modeled by assuming instantaneous coal devolatilization, and volatiles combustion and char gasification by CO2 and H2O in plug flow. The second stage combustor was modeled assuming adiabatic instantaneous gas phase reactions. Of primary interest was the dependence of char gasification efficiency on first stage particle residence time. The influence of first stage stoichiometry, heat loss, coal moisture, coal size distribution, and degree of coal devolatilization on gasifier performance and second stage exhaust temperature was determined. Performance predictions indicate that particle residence times on the order of 500 msec would be required to achieve gasification efficiencies in the range of 90 to 95 percent. The use of a finer coal size distribution significantly reduces the required gasifier residence time for acceptable levels of fuel use efficiency. Residence time requirements are also decreased by increased levels of coal devolatilization. Combustor design efforts should maximize devolatilization by minimizing mixing times associated with coal injection.

Bottom-up excited state dynamics of two cinnamate-based sunscreen filter molecules.

PubMed

Peperstraete, Yoann; Staniforth, Michael; Baker, Lewis A; Rodrigues, Natércia D N; Cole-Filipiak, Neil C; Quan, Wen-Dong; Stavros, Vasilios G

2016-10-12

Methyl-E-4-methoxycinnamate (E-MMC) is a model chromophore of the commonly used commercial sunscreen agent, 2-ethylhexyl-E-4-methoxycinnamate (E-EHMC). In an effort to garner a molecular-level understanding of the photoprotection mechanisms in operation with E-EHMC, we have used time-resolved pump-probe spectroscopy to explore E-MMC's and E-EHMC's excited state dynamics upon UV-B photoexcitation to the S 1 (1 1 ππ*) state in both the gas- and solution-phase. In the gas-phase, our studies suggest that the excited state dynamics are driven by non-radiative decay from the 1 1 ππ* to the S 3 (1 1 nπ*) state, followed by de-excitation from the 1 1 nπ* to the ground electronic state (S 0 ). Using both a non-polar-aprotic solvent, cyclohexane, and a polar-protic solvent, methanol, we investigated E-MMC and E-EHMC's photochemistry in a more realistic, 'closer-to-shelf' environment. A stark change to the excited state dynamics in the gas-phase is observed in the solution-phase suggesting that the dynamics are now driven by efficient E/Z isomerisation from the initially photoexcited 1 1 ππ* state to S 0 .

Efficient generation of ultra-intense few-cycle radially polarized laser pulses.

PubMed

Carbajo, Sergio; Granados, Eduardo; Schimpf, Damian; Sell, Alexander; Hong, Kyung-Han; Moses, Jeffrey; Kärtner, Franz X

2014-04-15

We report on efficient generation of millijoule-level, kilohertz-repetition-rate few-cycle laser pulses with radial polarization by combining a gas-filled hollow-waveguide compression technique with a suitable polarization mode converter. Peak power levels >85  GW are routinely achieved, capable of reaching relativistic intensities >10(19)  W/cm2 with carrier-envelope-phase control, by employing readily accessible ultrafast high-energy laser technology.

Ultra-sensitive all-fibre photothermal spectroscopy with large dynamic range

PubMed Central

Jin, Wei; Cao, Yingchun; Yang, Fan; Ho, Hoi Lut

2015-01-01

Photothermal interferometry is an ultra-sensitive spectroscopic means for trace chemical detection in gas- and liquid-phase materials. Previous photothermal interferometry systems used free-space optics and have limitations in efficiency of light–matter interaction, size and optical alignment, and integration into photonic circuits. Here we exploit photothermal-induced phase change in a gas-filled hollow-core photonic bandgap fibre, and demonstrate an all-fibre acetylene gas sensor with a noise equivalent concentration of 2 p.p.b. (2.3 × 10−9 cm−1 in absorption coefficient) and an unprecedented dynamic range of nearly six orders of magnitude. The realization of photothermal interferometry with low-cost near infrared semiconductor lasers and fibre-based technology allows a class of optical sensors with compact size, ultra sensitivity and selectivity, applicability to harsh environment, and capability for remote and multiplexed multi-point detection and distributed sensing. PMID:25866015

Acoustic emission data assisted process monitoring.

PubMed

Yen, Gary G; Lu, Haiming

2002-07-01

Gas-liquid two-phase flows are widely used in the chemical industry. Accurate measurements of flow parameters, such as flow regimes, are the key of operating efficiency. Due to the interface complexity of a two-phase flow, it is very difficult to monitor and distinguish flow regimes on-line and real time. In this paper we propose a cost-effective and computation-efficient acoustic emission (AE) detection system combined with artificial neural network technology to recognize four major patterns in an air-water vertical two-phase flow column. Several crucial AE parameters are explored and validated, and we found that the density of acoustic emission events and ring-down counts are two excellent indicators for the flow pattern recognition problems. Instead of the traditional Fair map, a hit-count map is developed and a multilayer Perceptron neural network is designed as a decision maker to describe an approximate transmission stage of a given two-phase flow system.

A New Superalloy Enabling Heavy Duty Gas Turbine Wheels for Improved Combined Cycle Efficiency

DOE Office of Scientific and Technical Information (OSTI.GOV)

Detor, Andrew; DiDomizio, Richard; McAllister, Don

The drive to increase combined cycle turbine efficiency from 62% to 65% for the next-generation advanced cycle requires a new heavy duty gas turbine wheel material capable of operating at 1200°F and above. Current wheel materials are limited by the stability of their major strengthening phase (gamma double prime), which coarsens at temperatures approaching 1200°F, resulting in a substantial reduction in strength. More advanced gamma prime superalloys, such as those used in jet engine turbine disks, are also not suitable due to size constraints; the gamma prime phase overages during the slow cooling rates inherent in processing thick-section turbine wheels.more » The current program addresses this need by screening two new alloy design concepts. The first concept exploits a gamma prime/gamma double prime coprecipitation reaction. Through manipulation of alloy chemistry, coprecipitation is controlled such that gamma double prime is used only to slow the growth of gamma prime during slow cooling, preventing over-aging, and allowing for subsequent heat treatment to maximize strength. In parallel, phase field modeling provides fundamental understanding of the coprecipitation reaction. The second concept uses oxide dispersion strengthening to improve on two existing alloys that exhibit excellent hold time fatigue crack growth resistance, but have insufficient strength to be considered for gas turbine wheels. Mechanical milling forces the dissolution of starting oxide powders into a metal matrix allowing for solid state precipitation of new, nanometer scale oxides that are effective at dispersion strengthening.« less

A review on the performance and modelling of proton exchange membrane fuel cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boucetta, A., E-mail: abirboucetta@yahoo.fr; Ghodbane, H., E-mail: h.ghodbane@mselab.org; Bahri, M., E-mail: m.bahri@mselab.org

2016-07-25

Proton Exchange Membrane Fuel Cells (PEMFC), are energy efficient and environmentally friendly alternative to conventional energy conversion for various applications in stationary power plants, portable power device and transportation. PEM fuel cells provide low operating temperature and high-energy efficiency with near zero emission. A PEM fuel cell is a multiple distinct parts device and a series of mass, energy, transport through gas channels, electric current transport through membrane electrode assembly and electrochemical reactions at the triple-phase boundaries. These processes play a decisive role in determining the performance of the Fuel cell, so that studies on the phenomena of gas flowsmore » and the performance modelling are made deeply. This paper gives a comprehensive overview of the state of the art on the Study of the phenomena of gas flow and performance modelling of PEMFC.« less

Velocity pump reaction turbine

DOEpatents

House, Palmer A.

1982-01-01

An expanding hydraulic/two-phase velocity pump reaction turbine including a dual concentric rotor configuration with an inter-rotor annular flow channel in which the inner rotor is mechanically driven by the outer rotor. In another embodiment, the inner rotor is immobilized and provided with gas recovery ports on its outer surface by means of which gas in solution may be recovered. This velocity pump reaction turbine configuration is capable of potential energy conversion efficiencies of up to 70%, and is particularly suited for geothermal applications.

Velocity pump reaction turbine

DOEpatents

House, Palmer A.

1984-01-01

An expanding hydraulic/two-phase velocity pump reaction turbine including a dual concentric rotor configuration with an inter-rotor annular flow channel in which the inner rotor is mechanically driven by the outer rotor. In another embodiment, the inner rotor is immobilized and provided with gas recovery ports on its outer surface by means of which gas in solution may be recovered. This velocity pump reaction turbine configuration is capable of potential energy conversion efficiencies of up to 70%, and is particularly suited for geothermal applications.

Velocity pump reaction turbine

DOEpatents

House, P.A.

An expanding hydraulic/two-phase velocity pump reaction turbine including a dual concentric rotor configuration with an inter-rotor annular flow channel in which the inner rotor is mechanically driven by the outer rotor. In another embodiment, the inner rotor is immobilized and provided with gas recovery ports on its outer surface by means of which gas in solution may be recovered. This velocity pump reaction turbine configuration is capable of potential energy conversion efficiencies of up to 70%, and is particularly suited for geothermal applications.

Sulfur Dioxide Accelerates the Heterogeneous Oxidation Rate of Organic Aerosol by Hydroxyl Radicals

DOE PAGES

Richards-Henderson, Nicole K.; Goldstein, Allen H.; Wilson, Kevin R.

2016-03-08

There remains considerable uncertainty in how anthropogenic gas phase emissions alter the oxidative aging of organic aerosols in the troposphere. Here we observe a 10-20 fold acceleration in the effective heterogeneous OH oxidation rate of organic aerosol in the presence of SO 2. This acceleration originates from the radical chain reactions propagated by alkoxy radicals, which are formed efficiently inside the particle by the reaction of peroxy radicals with SO 2. As the OH approaches atmospheric concentrations, the radical chain length increases, transforming the aerosol at rates predicted to be up to 10 times the OH-aerosol collision frequency. Model predictions,more » constrained by experiments over orders of magnitude changes in [OH] and [SO 2], suggest that in polluted regions the heterogeneous processing of organic aerosols by OH ([SO 2] ≥ 40 ppb) occur on similar time scales as analogous gas-phase oxidation reactions. These results provide evidence for a previously unidentified mechanism by which organic aerosol oxidation is enhanced by anthropogenic gas phase emissions. (Chemical Equation Presented).« less

Ionic liquids for metal extraction from chalcopyrite: solid, liquid and gas phase studies.

PubMed

Kuzmina, O; Symianakis, E; Godfrey, D; Albrecht, T; Welton, T

2017-08-16

We studied leaching of Cu and Fe from naturally occurring chalcopyrite ore using aqueous solutions of ionic liquids (ILs) based on imidazolium and ethylammonium cations and hydrogensulfate, nitrate, acetate or dicyanamide anions. Liquid, solid and gas phases of the leaching systems were characterised. We have shown that nonoxidative leaching is greatly dependant not only on temperature and pH, but on the anion species of the IL. Solutions of 1-butylimidazolium hydrogen sulfate exhibited the best leaching performance among hydrogen sulphate ILs. We have suggested that the formation of an oxide layer in some ILs may be responsible for a reduced leaching ability. The analysis of the gas phase showed the production of CO 2 and CS 2 in all leached samples. Our results suggested that the CS 2 produced upon leaching could be responsible for decreasing the sulfur, but not oxide, layer on the surface of chalcopyrite samples and therefore more efficient leaching. This is the first study, to our knowledge, to provide a systematic comparison of the leaching performance of ILs composed of different anions and cations and without added oxidants.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maserati, Lorenzo; Meckler, Stephen M.; Bachman, Jonathan E.

Despite the availability of chemistries to tailor the pore architectures of microporous polymer membranes for chemical separations, trade-offs in permeability and selectivity with functional group manipulations nevertheless persist, which ultimately places an upper bound on membrane performance. We introduce a new design strategy to uncouple these attributes of the membrane. Key to our success is the incorporation of phase-change metal-organic frameworks (MOFs) into the polymer matrix, which can be used to increase the solubility of a specific gas in the membrane, and thereby its permeability. We further show that it is necessary to scale the size of the phase-change MOFmore » to nanoscopic dimensions, in order to take advantage of this effect in a gas separation. Our observation of an increase in solubility and permeability of only one of the gases during steady-state permeability measurements suggests fast exchange between free and chemisorbed gas molecules within the MOF pores. While the kinetics of this exchange in phase-change MOFs are not yet fully understood, their role in enhancing the efficacy and efficiency of the separation is clearly a compelling new direction for membrane technology.« less

On the use of pulsed Dielectric Barrier Discharges to control the gas-phase composition of atmospheric pressure air plasmas

NASA Astrophysics Data System (ADS)

Barni, R.; Biganzoli, I.; Dell'Orto, E.; Riccardi, C.

2014-11-01

We presents results obtained from the numerical simulation of the gas-phase chemical kinetics in atmospheric pressure air non-equilibrium plasmas. In particular we have addressed the effect of pulsed operation mode of a plane dielectric barrier discharge. It was conjectured that the large difference in the time scales involved in the fast dissociation of oxygen molecules in plasma and their subsequent reactions to produce ozone and nitrogen oxides, makes the presence of a continuously repeated plasma production unnecessary and a waste of electrical power and thus efficiency. In order to test such suggestion we have performed a numerical study of the composition and the temporal evolution of the gas-phase of atmospheric pressure air non-equilibrium plasmas. Comparison with experimental findings in a dielectric barrier discharge with an electrode configuration symmetrical and almost ideally plane is briefly addressed too, using plasma diagnostics to extract the properties of the single micro-discharges and a sensor to measure the concentration of ozone produced by the plasma.

Efficient Covalent Bond Formation in Gas-Phase Peptide-Peptide Ion Complexes with the Photoleucine Stapler

NASA Astrophysics Data System (ADS)

Shaffer, Christopher J.; Andrikopoulos, Prokopis C.; Řezáč, Jan; Rulíšek, Lubomír; Tureček, František

2016-04-01

Noncovalent complexes of hydrophobic peptides GLLLG and GLLLK with photoleucine (L*) tagged peptides G(L* n L m )K (n = 1,3, m = 2,0) were generated as singly charged ions in the gas phase and probed by photodissociation at 355 nm. Carbene intermediates produced by photodissociative loss of N2 from the L* diazirine rings underwent insertion into X-H bonds of the target peptide moiety, forming covalent adducts with yields reaching 30%. Gas-phase sequencing of the covalent adducts revealed preferred bond formation at the C-terminal residue of the target peptide. Site-selective carbene insertion was achieved by placing the L* residue in different positions along the photopeptide chain, and the residues in the target peptide undergoing carbene insertion were identified by gas-phase ion sequencing that was aided by specific 13C labeling. Density functional theory calculations indicated that noncovalent binding to GL*L*L*K resulted in substantial changes of the (GLLLK + H)+ ground state conformation. The peptide moieties in [GL*L*LK + GLLLK + H]+ ion complexes were held together by hydrogen bonds, whereas dispersion interactions of the nonpolar groups were only secondary in ground-state 0 K structures. Born-Oppenheimer molecular dynamics for 100 ps trajectories of several different conformers at the 310 K laboratory temperature showed that noncovalent complexes developed multiple, residue-specific contacts between the diazirine carbons and GLLLK residues. The calculations pointed to the substantial fluidity of the nonpolar side chains in the complexes. Diazirine photochemistry in combination with Born-Oppenheimer molecular dynamics is a promising tool for investigations of peptide-peptide ion interactions in the gas phase.

Coupling Hydraulic Fracturing Propagation and Gas Well Performance for Simulation of Production in Unconventional Shale Gas Reservoirs

NASA Astrophysics Data System (ADS)

Wang, C.; Winterfeld, P. H.; Wu, Y. S.; Wang, Y.; Chen, D.; Yin, C.; Pan, Z.

2014-12-01

Hydraulic fracturing combined with horizontal drilling has made it possible to economically produce natural gas from unconventional shale gas reservoirs. An efficient methodology for evaluating hydraulic fracturing operation parameters, such as fluid and proppant properties, injection rates, and wellhead pressure, is essential for the evaluation and efficient design of these processes. Traditional numerical evaluation and optimization approaches are usually based on simulated fracture properties such as the fracture area. In our opinion, a methodology based on simulated production data is better, because production is the goal of hydraulic fracturing and we can calibrate this approach with production data that is already known. This numerical methodology requires a fully-coupled hydraulic fracture propagation and multi-phase flow model. In this paper, we present a general fully-coupled numerical framework to simulate hydraulic fracturing and post-fracture gas well performance. This three-dimensional, multi-phase simulator focuses on: (1) fracture width increase and fracture propagation that occurs as slurry is injected into the fracture, (2) erosion caused by fracture fluids and leakoff, (3) proppant subsidence and flowback, and (4) multi-phase fluid flow through various-scaled anisotropic natural and man-made fractures. Mathematical and numerical details on how to fully couple the fracture propagation and fluid flow parts are discussed. Hydraulic fracturing and production operation parameters, and properties of the reservoir, fluids, and proppants, are taken into account. The well may be horizontal, vertical, or deviated, as well as open-hole or cemented. The simulator is verified based on benchmarks from the literature and we show its application by simulating fracture network (hydraulic and natural fractures) propagation and production data history matching of a field in China. We also conduct a series of real-data modeling studies with different combinations of hydraulic fracturing parameters and present the methodology to design these operations with feedback of simulated production data. The unified model aids in the optimization of hydraulic fracturing design, operations, and production.

An assessment of the liquid-gas partitioning behavior of major wastewater odorants using two comparative experimental approaches: liquid sample-based vaporization vs. impinger-based dynamic headspace extraction into sorbent tubes.

PubMed

Iqbal, Mohammad Asif; Kim, Ki-Hyun; Szulejko, Jan E; Cho, Jinwoo

2014-01-01

The gas-liquid partitioning behavior of major odorants (acetic acid, propionic acid, isobutyric acid, n-butyric acid, i-valeric acid, n-valeric acid, hexanoic acid, phenol, p-cresol, indole, skatole, and toluene (as a reference)) commonly found in microbially digested wastewaters was investigated by two experimental approaches. Firstly, a simple vaporization method was applied to measure the target odorants dissolved in liquid samples with the aid of sorbent tube/thermal desorption/gas chromatography/mass spectrometry. As an alternative method, an impinger-based dynamic headspace sampling method was also explored to measure the partitioning of target odorants between the gas and liquid phases with the same detection system. The relative extraction efficiency (in percent) of the odorants by dynamic headspace sampling was estimated against the calibration results derived by the vaporization method. Finally, the concentrations of the major odorants in real digested wastewater samples were also analyzed using both analytical approaches. Through a parallel application of the two experimental methods, we intended to develop an experimental approach to be able to assess the liquid-to-gas phase partitioning behavior of major odorants in a complex wastewater system. The relative sensitivity of the two methods expressed in terms of response factor ratios (RFvap/RFimp) of liquid standard calibration between vaporization and impinger-based calibrations varied widely from 981 (skatole) to 6,022 (acetic acid). Comparison of this relative sensitivity thus highlights the rather low extraction efficiency of the highly soluble and more acidic odorants from wastewater samples in dynamic headspace sampling.

Gas Phase Probe Molecules for Assessing In vitro Metabolism to Infer an In vivo Response

EPA Science Inventory

Efficient and accurate in vitro high-throughput screening (HTS) methods use cellular and molecular based adverse outcome pathways (AOPs) as central elements for exposure assessment and chemical prioritization. However, not all AOPs are based on human or animal systems biology, bu...

Bar quenching in gas-rich galaxies

NASA Astrophysics Data System (ADS)

Khoperskov, S.; Haywood, M.; Di Matteo, P.; Lehnert, M. D.; Combes, F.

2018-01-01

Galaxy surveys have suggested that rapid and sustained decrease in the star-formation rate (SFR), "quenching", in massive disk galaxies is frequently related to the presence of a bar. Optical and near-IR observations reveal that nearly 60% of disk galaxies in the local universe are barred, thus it is important to understand the relationship between bars and star formation in disk galaxies. Recent observational results imply that the Milky Way quenched about 9-10 Gyr ago, at the transition between the cessation of the growth of the kinematically hot, old, metal-poor thick disk and the kinematically colder, younger, and more metal-rich thin disk. Although perhaps coincidental, the quenching episode could also be related to the formation of the bar. Indeed the transfer of energy from the large-scale shear induced by the bar to increasing turbulent energy could stabilize the gaseous disk against wide-spread star formation and quench the galaxy. To explore the relation between bar formation and star formation in gas rich galaxies quantitatively, we simulated gas-rich disk isolated galaxies. Our simulations include prescriptions for star formation, stellar feedback, and for regulating the multi-phase interstellar medium. We find that the action of stellar bar efficiently quenches star formation, reducing the star-formation rate by a factor of ten in less than 1 Gyr. Analytical and self-consistent galaxy simulations with bars suggest that the action of the stellar bar increases the gas random motions within the co-rotation radius of the bar. Indeed, we detect an increase in the gas velocity dispersion up to 20-35 km s-1 at the end of the bar formation phase. The star-formation efficiency decreases rapidly, and in all of our models, the bar quenches the star formation in the galaxy. The star-formation efficiency is much lower in simulated barred compared to unbarred galaxies and more rapid bar formation implies more rapid quenching.

Preliminary study of a gas burner-driven and ground-coupled heat pump system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hsu, P.F.

1995-12-31

To address the concerns for higher energy efficiency and the immediate phase out of the chlorofluorocarbons (CFCs), a new gas burner-driven, ground-coupled heat pump (GBGCHP) system is proposed for study. The new system is energy efficient and pose no environmental problem. There are three unique features in the proposed system: (1) a patented gas burner-driven compressor with a floating diaphragm piston-cylinder for energy efficiency and accommodating variable load, (2) the ground coupled water-to-air heat exchangers for high coefficient of performance (COPs), and (3) the new refrigerants based on fluoroiodocarbons (FICS) with very little ozone depletion and global warming potential. Amore » preliminary analysis of a prototype heat pump with 3 ton (10.55 kW) heating capacity is presented. The thermodynamics analysis of the system shows that the steady state COP rating higher than 7 is possible with the system operating in heating mode. Additional research work for the GBGCHP system, especially the FICs` thermodynamic properties in the superheated region, is also described.« less

Simulating the control of molecular reactions via modulated light fields: from gas phase to solution

NASA Astrophysics Data System (ADS)

Thallmair, Sebastian; Keefer, Daniel; Rott, Florian; de Vivie-Riedle, Regina

2017-04-01

Over the past few years quantum control has proven to be very successful in steering molecular processes. By combining theory with experiment, even highly complex control aims were realized in the gas phase. In this topical review, we illustrate the past achievements on several examples in the molecular context. The next step for the quantum control of chemical processes is to translate the fruitful interplay between theory and experiment to the condensed phase and thus to the regime where chemical synthesis can be supported. On the theory side, increased efforts to include solvent effects in quantum control simulations were made recently. We discuss two major concepts, namely an implicit description of the environment via the density matrix algorithm and an explicit inclusion of solvent molecules. By application to chemical reactions, both concepts conclude that despite environmental perturbations leading to more complex control tasks, efficient quantum control in the condensed phase is still feasible.

Investigation and demonstration of dry carbon-based sorbent injection for mercury control. Quarterly technical report, July 1, 1996--September 31, 1996

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hunt, T.; Sjostrom, S.; Smith, J.

1996-11-06

The overall objective of this two phase program is to investigate the use of dry carbon-based sorbents for mercury control. This information is important to the utility industry in anticipation of pending regulations. During Phase I, a bench-scale field test device that can be configured as an electrostatic precipitator, a pulse-jet baghouse, or a reverse-gas baghouse has been designed, built and integrated with an existing pilot-scale facility at PSCo`s Comanche Station. Up to three candidate sorbents will be injected into the flue gas stream upstream of the test device to and mercury concentration measurements will be made to determine themore » mercury removal efficiency for each sorbent. During the Phase II effort, component integration for the most promising dry sorbent technology shall be tested at the 5000 acfm pilot-scale.« less

Gas phase recovery of hydrogen sulfide contaminated polymer electrolyte membrane fuel cells

NASA Astrophysics Data System (ADS)

Kakati, Biraj Kumar; Kucernak, Anthony R. J.

2014-04-01

The effect of hydrogen sulfide (H2S) on the anode of a polymer electrolyte membrane fuel cell (PEMFC) and the gas phase recovery of the contaminated PEMFC using ozone (O3) were studied. Experiments were performed on fuel cell electrodes both in an aqueous electrolyte and within an operating fuel cell. The ex-situ analyses of a fresh electrode; a H2S contaminated electrode (23 μmolH2S cm-2); and the contaminated electrode cleaned with O3 shows that all sulfide can be removed within 900 s at room temperature. Online gas analysis of the recovery process confirms the recovery time required as around 720 s. Similarly, performance studies of an H2S contaminated PEMFC shows that complete rejuvenation occurs following 600-900 s O3 treatment at room temperature. The cleaning process involves both electrochemical oxidation (facilitated by the high equilibrium potential of the O3 reduction process) and direct chemical oxidation of the contaminant. The O3 cleaning process is more efficient than the external polarization of the single cell at 1.6 V. Application of O3 at room temperature limits the amount of carbon corrosion. Room temperature O3 treatment of poisoned fuel cell stacks may offer an efficient and quick remediation method to recover otherwise inoperable systems.

Development of solid-gas equilibrium propulsion system for small spacecraft

NASA Astrophysics Data System (ADS)

Chujo, Toshihiro; Mori, Osamu; Kubo, Yuki

2017-11-01

A phase equilibrium propulsion system is a kind of cold-gas jet in which the phase equilibrium state of the fuel is maintained in a tank and its vapor is ejected when a valve is opened. One such example is a gas-liquid equilibrium propulsion system that uses liquefied gas as fuel. This system was mounted on the IKAROS solar sail and has been demonstrated in orbit. The system has a higher storage efficiency and a lighter configuration than a high-pressure cold-gas jet because the vapor pressure is lower, and is suitable for small spacecraft. However, the system requires a gas-liquid separation device in order to avoid leakage of the liquid, which makes the system complex. As another example of a phase equilibrium propulsion system, we introduce a solid-gas equilibrium propulsion system, which uses a sublimable substance as fuel and ejects its vapor. This system has an even lower vapor pressure and does not require such a separation device, instead requiring only a filter to keep the solid inside the tank. Moreover, the system is much simpler and lighter, making it more suitable for small spacecraft, especially CubeSat-class spacecraft, and the low thrust of the system allows spacecraft motion to be controlled precisely. In addition, the thrust level can be controlled by controlling the temperature of the fuel, which changes the vapor pressure. The present paper introduces the concept of the proposed system, and describes ejection experiments and its evaluation. The basic function of the proposed system is demonstrated in order to verify its usefulness.

Simulation study on combustion of biomass

NASA Astrophysics Data System (ADS)

Zhao, M. L.; Liu, X.; Cheng, J. W.; Liu, Y.; Jin, Y. A.

2017-01-01

Biomass combustion is the most common energy conversion technology, offering the advantages of low cost, low risk and high efficiency. In this paper, the transformation and transfer of biomass in the process of combustion are discussed in detail. The process of furnace combustion and gas phase formation was analyzed by numerical simulation. The experimental results not only help to optimize boiler operation and realize the efficient combustion of biomass, but also provide theoretical basis for the improvement of burner technology.

Photocatalysis of sub-ppm limonene over multiwalled carbon nanotubes/titania composite nanofiber under visible-light irradiation.

PubMed

Jo, Wan-Kuen; Kang, Hyun-Jung

2015-01-01

This study was conducted under visible-light exposure to investigate the photocatalytic characteristics of a multiwalled carbon nanotube/titania (TiO2) composite nanofiber (MTCN) using a continuous-flow tubular reactor. The MTCN was prepared by a sol-gel process, followed by an electrospinning technique. The photocatalytic decomposition efficiency for limonene on the MTCN was higher than those obtained from reference TiO2 nanofibers or P25 TiO2, and the experimental results agreed well with the Langmuir-Hinshelwood model. The CO concentrations generated during the photocatalysis did not reach levels toxic to humans. The mineralization efficiency for limonene on the MTCN was also higher than that for P25 TiO2. Moreover, the mineralization efficiency obtained using the MTCN increased steeply from 8.3 to 91.1% as the residence time increased from 7.8 to 78.0s, compared to the increase in the decomposition efficiencies for limonene from 90.1 to 99.9%. Three gas-phase intermediates (methacrolein, acetic acid, and limonene oxide) were quantitatively determined for the photocatalysis for limonene over the MTCN, whereas only two intermediates (acetic acid and limonene oxide) were quantitatively determined over P25 TiO2. Other provisional gas-phase intermediates included cyclopropyl methyl ketone and 2-ethylbutanal. Copyright © 2014 Elsevier B.V. All rights reserved.

Three-phase compositional modeling of CO2 injection by higher-order finite element methods with CPA equation of state for aqueous phase

NASA Astrophysics Data System (ADS)

Moortgat, Joachim; Li, Zhidong; Firoozabadi, Abbas

2012-12-01

Most simulators for subsurface flow of water, gas, and oil phases use empirical correlations, such as Henry's law, for the CO2 composition in the aqueous phase, and equations of state (EOS) that do not represent the polar interactions between CO2and water. Widely used simulators are also based on lowest-order finite difference methods and suffer from numerical dispersion and grid sensitivity. They may not capture the viscous and gravitational fingering that can negatively affect hydrocarbon (HC) recovery, or aid carbon sequestration in aquifers. We present a three-phase compositional model based on higher-order finite element methods and incorporate rigorous and efficient three-phase-split computations for either three HC phases or water-oil-gas systems. For HC phases, we use the Peng-Robinson EOS. We allow solubility of CO2in water and adopt a new cubic-plus-association (CPA) EOS, which accounts for cross association between H2O and CO2 molecules, and association between H2O molecules. The CPA-EOS is highly accurate over a broad range of pressures and temperatures. The main novelty of this work is the formulation of a reservoir simulator with new EOS-based unique three-phase-split computations, which satisfy both the equalities of fugacities in all three phases and the global minimum of Gibbs free energy. We provide five examples that demonstrate twice the convergence rate of our method compared with a finite difference approach, and compare with experimental data and other simulators. The examples consider gravitational fingering during CO2sequestration in aquifers, viscous fingering in water-alternating-gas injection, and full compositional modeling of three HC phases.

Inactivation of myeloma cancer cells by helium and argon plasma jets: The effect comparison and the key reactive species

NASA Astrophysics Data System (ADS)

Chen, Zeyu; Cui, Qingjie; Chen, Chen; Xu, Dehui; Liu, Dingxin; Chen, H. L.; Kong, Michael G.

2018-02-01

In plasma cancer therapy, the inactivation of cancer cells under plasma treatment is closely related to the reactive oxygen and nitrogen species (RONS) induced by plasmas. Quantitative study on the plasma-induced RONS that related to cancer cells apoptosis is critical for advancing the research of plasma cancer therapy. In this paper, the effects of several reactive species on the inactivation of LP-1 myeloma cancer cells are comparatively studied with variable working gas composition, surrounding gas composition, and discharge power. The results show that helium plasma jet has a higher cell inactivation efficiency than argon plasma jet under the same discharge power. By comparing the concentration of aqueous phase reactive species and the cell inactivation efficiency under different working gases and discharge powers, it is demonstrated that the inactivation efficiency of LP-1 myeloma cancer cells is strongly correlated with the concentration of peroxynitrite (ONOOH/ONOO-).

Biofiltration of mixtures of gas-phase styrene and acetone with the fungus Sporothrix variecibatus.

PubMed

Rene, Eldon R; Spačková, Radka; Veiga, María C; Kennes, Christian

2010-12-15

The biodegradation performance of a biofilter, inoculated with the fungus Sporothrix variecibatus, to treat gas-phase styrene and acetone mixtures under steady-state and transient conditions was evaluated. Experiments were carried out by varying the gas-flow rates (0.05-0.4m(3)h(-1)), leading to empty bed residence times as low as 17.1s, and by changing the concentrations of gas-phase styrene (0.01-6.3 g m(-3)) and acetone (0.01-8.9 g m(-3)). The total elimination capacities were as high as 360 g m(-3)h(-1), with nearly 97.5% removal of styrene and 75.6% for acetone. The biodegradation of acetone was inhibited by the presence of styrene, while styrene removal was affected only slightly by the presence of acetone. During transient-state experiments, increasing the overall pollutant load by almost 3-fold, i.e., from 220 to 600 g m(-3)h(-1), resulted in a sudden drop of removal efficiency (>90-70%), but still high elimination capacities were maintained. Periodic microscopic observations revealed that the originally inoculated Sporothrix sp. remained present in the reactor and actively dominant in the biofilm. Copyright © 2010 Elsevier B.V. All rights reserved.

Removal of dichloromethane from waste gas streams using a hybrid bubble column/biofilter bioreactor

PubMed Central

2014-01-01

The performance of a hybrid bubble column/biofilter (HBCB) bioreactor for the removal of dichloromethane (DCM) from waste gas streams was studied in continuous mode for several months. The HBCB bioreactor consisted of two compartments: bubble column bioreactor removing DCM from liquid phase and biofilter removing DCM from gas phase. Effect of inlet DCM concentration on the elimination capacity was examined in the DCM concentration range of 34–359 ppm with loading rates ranged from 2.2 to 22.8 g/m3.h and constant total empty bed retention time (EBRT) of 200 s. In the equal loading rates, the elimination capacity and removal efficiency of the biofilter were higher than the corresponding values of the bubble column bioreactor. The maximum elimination capacity of the HBCB bioreactor was determined to be 15.7 g/m3.h occurred in the highest loading rate of 22.8 g/m3.h with removal efficiency of 69%. The overall mineralization portion of the HBCB bioreactor was in the range of 72-79%. The mixed liquor acidic pH especially below 5.5 inhibited microbial activity and decreased the elimination capacity. Inhibitory effect of high ionic strength was initiated in the mixed liquor electrical conductivity of 12.2 mS/cm. This study indicated that the HBCB bioreactor could benefit from advantages of both bubble column and biofilter reactors and could remove DCM from waste gas streams in a better manner. PMID:24406056

High-performance multiprocessor architecture for a 3-D lattice gas model

NASA Technical Reports Server (NTRS)

Lee, F.; Flynn, M.; Morf, M.

1991-01-01

The lattice gas method has recently emerged as a promising discrete particle simulation method in areas such as fluid dynamics. We present a very high-performance scalable multiprocessor architecture, called ALGE, proposed for the simulation of a realistic 3-D lattice gas model, Henon's 24-bit FCHC isometric model. Each of these VLSI processors is as powerful as a CRAY-2 for this application. ALGE is scalable in the sense that it achieves linear speedup for both fixed and increasing problem sizes with more processors. The core computation of a lattice gas model consists of many repetitions of two alternating phases: particle collision and propagation. Functional decomposition by symmetry group and virtual move are the respective keys to efficient implementation of collision and propagation.

Microchannel plate special nuclear materials sensor

NASA Astrophysics Data System (ADS)

Feller, W. B.; White, P. L.; White, P. B.; Siegmund, O. H. W.; Martin, A. P.; Vallerga, J. V.

2011-10-01

Nova Scientific Inc., is developing for the Domestic Nuclear Detection Office (DNDO SBIR #HSHQDC-08-C-00190), a solid-state, high-efficiency neutron detection alternative to 3He gas tubes, using neutron-sensitive microchannel plates (MCPs) containing 10B and/or Gd. This work directly supports DNDO development of technologies designed to detect and interdict nuclear weapons or illicit nuclear materials. Neutron-sensitized MCPs have been shown theoretically and more recently experimentally, to be capable of thermal neutron detection efficiencies equivalent to 3He gas tubes. Although typical solid-state neutron detectors typically have an intrinsic gamma sensitivity orders of magnitude higher than that of 3He gas detectors, we dramatically reduce gamma sensitivity by combining a novel electronic coincidence rejection scheme, employing a separate but enveloping gamma scintillator. This has already resulted in a measured gamma rejection ratio equal to a small 3He tube, without in principle sacrificing neutron detection efficiency. Ongoing improvements to the MCP performance as well as the coincidence counting geometry will be described. Repeated testing and validation with a 252Cf source has been underway throughout the Phase II SBIR program, with ongoing comparisons to a small commercial 3He gas tube. Finally, further component improvements and efforts toward integration maturity are underway, with the goal of establishing functional prototypes for SNM field testing.

The efficiency of photodissociation for molecules in interstellar ices

NASA Astrophysics Data System (ADS)

Kalvāns, J.

2018-05-01

Processing by interstellar photons affects the composition of the icy mantles on interstellar grains. The rate of photodissociation in solids differs from that of molecules in the gas phase. The aim of this work was to determine an average, general ratio between photodissociation coefficients for molecules in ice and gas. A 1D astrochemical model was utilized to simulate the chemical composition for a line of sight through a collapsing interstellar cloud core, whose interstellar extinction changes with time. At different extinctions, the calculated column densities of icy carbon oxides and ammonia (relative to water ice) were compared to observations. The latter were taken from literature data of background stars sampling ices in molecular clouds. The best-fit value for the solid/gas photodissociation coefficient ratio was found to be ≈0.3. In other words, gas-phase photodissociation rate coefficients have to be reduced by a factor of 0.3 before applying them to icy species. A crucial part of the model is a proper inclusion of cosmic-ray induced desorption. Observations sampling gas with total extinctions in excess of ≈22 mag were found to be uncorrelated to modelling results, possibly because of grains being covered with non-polar molecules.

Gas-Purged Headspace Liquid Phase Microextraction System for Determination of Volatile and Semivolatile Analytes

PubMed Central

Zhang, Meihua; Bi, Jinhu; Yang, Cui; Li, Donghao; Piao, Xiangfan

2012-01-01

In order to achieve rapid, automatic, and efficient extraction for trace chemicals from samples, a system of gas-purged headspace liquid phase microextraction (GP-HS-LPME) has been researched and developed based on the original HS-LPME technique. In this system, semiconductor condenser and heater, whose refrigerating and heating temperatures were controlled by microcontroller, were designed to cool the extraction solvent and to heat the sample, respectively. Besides, inert gas, whose gas flow rate was adjusted by mass flow controller, was continuously introduced into and discharged from the system. Under optimized parameters, extraction experiments were performed, respectively, using GP-HS-LPME system and original HS-LPME technique for enriching volatile and semivolatile target compounds from the same kind of sample of 15 PAHs standard mixture. GC-MS analysis results for the two experiments indicated that a higher enrichment factor was obtained from GP-HS-LPME. The enrichment results demonstrate that GP-HS-LPME system is potential in determination of volatile and semivolatile analytes from various kinds of samples. PMID:22448341

Supercritical Brayton Cycle Nuclear Power System Concepts

NASA Astrophysics Data System (ADS)

Wright, Steven A.

2007-01-01

Both the NASA and DOE have programs that are investigating advanced power conversion cycles for planetary surface power on the moon or Mars, and for next generation nuclear power plants on earth. The gas Brayton cycle offers many practical solutions for space nuclear power systems and was selected as the nuclear power system of choice for the NASA Prometheus project. An alternative Brayton cycle that offers high efficiency at a lower reactor coolant outlet temperature is the supercritical Brayton cycle (SCBC). The supercritical cycle is a true Brayton cycle because it uses a single phase fluid with a compressor inlet temperature that is just above the critical point of the fluid. This paper describes the use of a supercritical Brayton cycle that achieves a cycle efficiency of 26.6% with a peak coolant temperature of 750 K and for a compressor inlet temperature of 390 K. The working fluid uses a clear odorless, nontoxic refrigerant C318 perflurocarbon (C4F8) that always operates in the gas phase. This coolant was selected because it has a critical temperature and pressure of 388.38 K and 2.777 MPa. The relatively high critical temperature allows for efficient thermal radiation that keeps the radiator mass small. The SCBC achieves high efficiency because the loop design takes advantage of the non-ideal nature of the coolant equation of state just above the critical point. The lower coolant temperature means that metal fuels, uranium oxide fuels, and uranium zirconium hydride fuels with stainless steel, ferretic steel, or superalloy cladding can be used with little mass penalty or reduction in cycle efficiency. The reactor can use liquid-metal coolants and no high temperature heat exchangers need to be developed. Indirect gas cooling or perhaps even direct gas cooling can be used if the C4F8 coolant is found to be sufficiently radiation tolerant. Other fluids can also be used in the supercritical Brayton cycle including Propane (C3H8, Tcritical = 369 K) and Hexane (C6H14, Tcritical = 506.1 K) provided they have adequate chemical compatibility and stability. Overall the use of supercritical Brayton cycles may offer ``break through'' operating capabilities for space nuclear power plants because high efficiencies can be achieved a very low reactor operating temperatures which in turn allows for the use of available fuels, cladding, and structural materials.

A multi-parametric particle-pairing algorithm for particle tracking in single and multiphase flows

NASA Astrophysics Data System (ADS)

Cardwell, Nicholas D.; Vlachos, Pavlos P.; Thole, Karen A.

2011-10-01

Multiphase flows (MPFs) offer a rich area of fundamental study with many practical applications. Examples of such flows range from the ingestion of foreign particulates in gas turbines to transport of particles within the human body. Experimental investigation of MPFs, however, is challenging, and requires techniques that simultaneously resolve both the carrier and discrete phases present in the flowfield. This paper presents a new multi-parametric particle-pairing algorithm for particle tracking velocimetry (MP3-PTV) in MPFs. MP3-PTV improves upon previous particle tracking algorithms by employing a novel variable pair-matching algorithm which utilizes displacement preconditioning in combination with estimated particle size and intensity to more effectively and accurately match particle pairs between successive images. To improve the method's efficiency, a new particle identification and segmentation routine was also developed. Validation of the new method was initially performed on two artificial data sets: a traditional single-phase flow published by the Visualization Society of Japan (VSJ) and an in-house generated MPF data set having a bi-modal distribution of particles diameters. Metrics of the measurement yield, reliability and overall tracking efficiency were used for method comparison. On the VSJ data set, the newly presented segmentation routine delivered a twofold improvement in identifying particles when compared to other published methods. For the simulated MPF data set, measurement efficiency of the carrier phases improved from 9% to 41% for MP3-PTV as compared to a traditional hybrid PTV. When employed on experimental data of a gas-solid flow, the MP3-PTV effectively identified the two particle populations and reported a vector efficiency and velocity measurement error comparable to measurements for the single-phase flow images. Simultaneous measurement of the dispersed particle and the carrier flowfield velocities allowed for the calculation of instantaneous particle slip velocities, illustrating the algorithm's strength to robustly and accurately resolve polydispersed MPFs.

Low NO sub x heavy fuel combustor concept program. Phase 1A: Combustion technology generation coal gas fuels

NASA Technical Reports Server (NTRS)

Sherlock, T. P.

1982-01-01

Combustion tests of two scaled burners using actual coal gas from a 25 ton/day fluidized bed coal gasifier are described. The two combustor configurations studied were a ceramic lined, staged rich/lean burner and an integral, all metal multiannual swirl burner (MASB). The tests were conducted over a range of temperature and pressures representative of current industrial combustion turbine inlet conditions. Tests on the rich lean burner were conducted at three levels of product gas heating values: 104, 197 and 254 btu/scf. Corresponding levels of NOx emissions were 5, 20 and 70 ppmv. Nitrogen was added to the fuel in the form of ammonia, and conversion efficiencies of fuel nitrogen to NOx were on the order of 4 percent to 12 percent, which is somewhat lower than the 14 percent to 18 percent conversion efficiency when src-2 liquid fuel was used. The MASB was tested only on medium btu gas (220 to 270 btu/scf), and produced approximately 80 ppmv NOx at rated engine conditions. Both burners operated similarly on actual coal gas and erbs fuel, and all heating values tested can be successfully burned in current machines.

Development of a passive phase separator for space and earth applications

PubMed Central

Wu, Xiongjun; Loraine, Greg; Hsiao, Chao-Tsung; Chahine, Georges L.

2018-01-01

The limited amount of liquids and gases that can be carried to space makes it imperative to recycle and reuse these fluids for extended human operations. During recycling processes gas and liquid phases are often intermixed. In the absence of gravity, separating gases from liquids is challenging due to the absence of buoyancy. This paper describes development of a passive phase separator that is capable of efficiently and reliably separating gas–liquid mixtures of both high and low void fractions in a wide range of flow rates that is applicable to for both space and earth applications. PMID:29628785

Photophysics of sunscreen molecules in the gas phase: a stepwise approach towards understanding and developing next-generation sunscreens

PubMed Central

Rodrigues, Natércia D. N.; Staniforth, Michael

2016-01-01

The relationship between exposure to ultraviolet (UV) radiation and skin cancer urges the need for extra photoprotection, which is presently provided by widespread commercially available sunscreen lotions. Apart from having a large absorption cross section in the UVA and UVB regions of the electromagnetic spectrum, the chemical absorbers in these photoprotective products should also be able to dissipate the excess energy in a safe way, i.e. without releasing photoproducts or inducing any further, harmful, photochemistry. While sunscreens are tested for both their photoprotective capability and dermatological compatibility, phenomena occurring at the molecular level upon absorption of UV radiation are largely overlooked. To date, there is only a limited amount of information regarding the photochemistry and photophysics of these sunscreen molecules. However, a thorough understanding of the intrinsic mechanisms by which popular sunscreen molecular constituents dissipate excess energy has the potential to aid in the design of more efficient, safer sunscreens. In this review, we explore the potential of using gas-phase frequency- and time-resolved spectroscopies in an effort to better understand the photoinduced excited-state dynamics, or photodynamics, of sunscreen molecules. Complementary computational studies are also briefly discussed. Finally, the future outlook of expanding these gas-phase studies into the solution phase is considered. PMID:27956888

Photophysics of sunscreen molecules in the gas phase: a stepwise approach towards understanding and developing next-generation sunscreens

NASA Astrophysics Data System (ADS)

Rodrigues, Natércia D. N.; Staniforth, Michael; Stavros, Vasilios G.

2016-11-01

The relationship between exposure to ultraviolet (UV) radiation and skin cancer urges the need for extra photoprotection, which is presently provided by widespread commercially available sunscreen lotions. Apart from having a large absorption cross section in the UVA and UVB regions of the electromagnetic spectrum, the chemical absorbers in these photoprotective products should also be able to dissipate the excess energy in a safe way, i.e. without releasing photoproducts or inducing any further, harmful, photochemistry. While sunscreens are tested for both their photoprotective capability and dermatological compatibility, phenomena occurring at the molecular level upon absorption of UV radiation are largely overlooked. To date, there is only a limited amount of information regarding the photochemistry and photophysics of these sunscreen molecules. However, a thorough understanding of the intrinsic mechanisms by which popular sunscreen molecular constituents dissipate excess energy has the potential to aid in the design of more efficient, safer sunscreens. In this review, we explore the potential of using gas-phase frequency- and time-resolved spectroscopies in an effort to better understand the photoinduced excited-state dynamics, or photodynamics, of sunscreen molecules. Complementary computational studies are also briefly discussed. Finally, the future outlook of expanding these gas-phase studies into the solution phase is considered.

Properties of water as a novel stationary phase in capillary gas chromatography.

PubMed

Gallant, Jonathan A; Thurbide, Kevin B

2014-09-12

A novel method of separation that uses water as a stationary phase in capillary gas chromatography (GC) is presented. Through applying a water phase to the interior walls of a stainless steel capillary, good separations were obtained for a large variety of analytes in this format. It was found that carrier gas humidification and backpressure were key factors in promoting stable operation over time at various temperatures. For example, with these measures in place, the retention time of an acetone test analyte was found to reduce by only 44s after 100min of operation at a column temperature of 100°C. In terms of efficiency, under optimum conditions the method produced about 20,000 plates for an acetone test analyte on a 250μm i.d.×30m column. Overall, retention on the stationary phase generally increased with analyte water solubility and polarity, but was relatively little correlated with analyte volatility. Conversely, non-polar analytes were essentially unretained in the system. These features were applied to the direct analysis of different polar analytes in both aqueous and organic samples. Results suggest that this approach could provide an interesting alternative tool in capillary GC separations. Copyright © 2014 Elsevier B.V. All rights reserved.

United polarizable multipole water model for molecular mechanics simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qi, Rui; Wang, Qiantao; Ren, Pengyu, E-mail: pren@mail.utexas.edu

2015-07-07

We report the development of a united AMOEBA (uAMOEBA) polarizable water model, which is computationally 3–5 times more efficient than the three-site AMOEBA03 model in molecular dynamics simulations while providing comparable accuracy for gas-phase and liquid properties. In this coarse-grained polarizable water model, both electrostatic (permanent and induced) and van der Waals representations have been reduced to a single site located at the oxygen atom. The permanent charge distribution is described via the molecular dipole and quadrupole moments and the many-body polarization via an isotropic molecular polarizability, all located at the oxygen center. Similarly, a single van der Waals interactionmore » site is used for each water molecule. Hydrogen atoms are retained only for the purpose of defining local frames for the molecular multipole moments and intramolecular vibrational modes. The parameters have been derived based on a combination of ab initio quantum mechanical and experimental data set containing gas-phase cluster structures and energies, and liquid thermodynamic properties. For validation, additional properties including dimer interaction energy, liquid structures, self-diffusion coefficient, and shear viscosity have been evaluated. The results demonstrate good transferability from the gas to the liquid phase over a wide range of temperatures, and from nonpolar to polar environments, due to the presence of molecular polarizability. The water coordination, hydrogen-bonding structure, and dynamic properties given by uAMOEBA are similar to those derived from the all-atom AMOEBA03 model and experiments. Thus, the current model is an accurate and efficient alternative for modeling water.« less

Fluorescence Spectroscopy of Gas-phase Polycyclic Aromatic Hydrocarbons

NASA Technical Reports Server (NTRS)

Thomas, J. D.; Witt, A. N.

2006-01-01

The purpose of this investigation was to produce fluorescence spectra of polycyclic aromatic hydrocarbon (PAH) molecules in the gas-phase for comparison with blue luminescence (BL) emission observed in astrophysical sources Vijh et al. (2004, 2005a,b). The BL occurs roughly from 350 to 450 nm, with a sharp peak near 380 nm. PAHs with three to four rings, e.g. anthracene and pyrene, were found to produce luminescence in the appropriate spectral region, based on existing studies. Relatively few studies of the gas-phase fluorescence of PAHs exist; those that do exist have dealt primarily with the same samples commonly available for purchase such as pyrene and anthracene. In an attempt to understand the chemistry of the nebular environment we also obtained several nitrogen substituted PAHs from our colleagues at NASA Ames. In order to simulate the astrophysical environment we also took spectra by heating the PAHs in a flame. The flame environment counteracts the formation of eximers and permits the spectroscopy of free-flying neutral molecules. Experiments with coal tar demonstrate that fluorescence spectroscopy reveals primarily the presence of the smallest molecules, which are most abundant and which possess the highest fluorescence efficiencies. One gas-phase PAH that seems to fit the BL spectrum most closely is phenanthridine. In view of the results from the spectroscopy of coal tar, a compound containing a mixture of PAHs ranging from small to very large PAH molecules, we can not preclude the presence of larger PAHs in interstellar sources exhibiting BL.

Ram pressure stripping in the Virgo Cluster

NASA Astrophysics Data System (ADS)

Verdugo, C.; Combes, F.; Dasyra, K.; Salomé, P.; Braine, J.

2015-10-01

Gas can be violently stripped from their galaxy disks in rich clusters, and be dispersed over 100 kpc-scale tails or plumes. Young stars have been observed in these tails, suggesting they are formed in situ. This will contribute to the intracluster light, in addition to tidal stripping of old stars. We want to quantify the efficiency of intracluster star formation. We present CO(1-0) and CO(2-1) observations, made with the IRAM-30 m telescope, towards the ram-pressure stripped tail northeast of NGC 4388 in Virgo. We selected HII regions found all along the tails, together with dust patches, as observing targets. We detect molecular gas in 4 positions along the tail, with masses between 7 × 105 to 2 × 106M⊙. Given the large distance from the NGC 4388 galaxy, the molecular clouds must have formed in situ, from the HI gas plume. We compute the relation between surface densities of star formation and molecular gas in these regions, and find that the star formation has very low efficiency. The corresponding depletion time of the molecular gas can be up to 500 Gyr and more. Since this value exceeds a by far Hubble time, this gas will not be converted into stars, and will stay in a gaseous phase to join the intracluster medium.

Novel Desorber for Online Drilling Mud Gas Logging.

PubMed

Lackowski, Marcin; Tobiszewski, Marek; Namieśnik, Jacek

2016-01-01

This work presents the construction solution and experimental results of a novel desorber for online drilling mud gas logging. The traditional desorbers use mechanical mixing of the liquid to stimulate transfer of hydrocarbons to the gaseous phase that is further analyzed. The presented approach is based on transfer of hydrocarbons from the liquid to the gas bubbles flowing through it and further gas analysis. The desorber was checked for gas logging from four different drilling muds collected from Polish boreholes. The results of optimization studies are also presented in this study. The comparison of the novel desorber with a commercial one reveals strong advantages of the novel one. It is characterized by much better hydrocarbons recovery efficiency and allows reaching lower limits of detection of the whole analytical system. The presented desorber seems to be very attractive alternative over widely used mechanical desorbers.

Complex admixtures of clathrate hydrates in a water desalination method

DOEpatents

Simmons, Blake A [San Francisco, CA; Bradshaw, Robert W [Livermore, CA; Dedrick, Daniel E [Berkeley, CA; Anderson, David W [Riverbank, CA

2009-07-14

Disclosed is a method that achieves water desalination by utilizing and optimizing clathrate hydrate phenomena. Clathrate hydrates are crystalline compounds of gas and water that desalinate water by excluding salt molecules during crystallization. Contacting a hydrate forming gaseous species with water will spontaneously form hydrates at specific temperatures and pressures through the extraction of water molecules from the bulk phase followed by crystallite nucleation. Subsequent dissociation of pure hydrates yields fresh water and, if operated correctly, allows the hydrate-forming gas to be efficiently recycled into the process stream.

An ab initio molecular orbital study of the mechanism for the gas-phase water-mediated decomposition and the formation of hydrates of peroxyacetyl nitrate (PAN).

PubMed

Li, Yumin; Francisco, Joseph S

2005-08-31

There is uncertainty in the mechanism for the hydrolysis of peroxyacetyl nitrate (PAN), and experimental attempts to detect products of the direct reaction have been unsuccessful. Ab initio calculations are used to examine the energetics of water-mediated decomposition of gas-phase PAN into acetic acid and peroxynitric acid. On the basis of ab initio calculations, an alternative reaction mechanism for the decomposition of PAN is proposed. The calculations indicate that the barrier for one water addition to PAN is large. However, including additional water molecules reveals a substantially lower energy route. The calculations suggest that the formation of PAN hydrate complexes are energetically favorable and stable. Additional waters are increasingly efficient at stabilizing hydrated PAN.

Development and Demonstration of a Computational Tool for the Analysis of Particle Vitiation Effects in Hypersonic Propulsion Test Facilities

NASA Technical Reports Server (NTRS)

Perkins, Hugh Douglas

2010-01-01

In order to improve the understanding of particle vitiation effects in hypersonic propulsion test facilities, a quasi-one dimensional numerical tool was developed to efficiently model reacting particle-gas flows over a wide range of conditions. Features of this code include gas-phase finite-rate kinetics, a global porous-particle combustion model, mass, momentum and energy interactions between phases, and subsonic and supersonic particle drag and heat transfer models. The basic capabilities of this tool were validated against available data or other validated codes. To demonstrate the capabilities of the code a series of computations were performed for a model hypersonic propulsion test facility and scramjet. Parameters studied were simulated flight Mach number, particle size, particle mass fraction and particle material.

Quenching star formation with quasar outflows launched by trapped IR radiation

NASA Astrophysics Data System (ADS)

Costa, Tiago; Rosdahl, Joakim; Sijacki, Debora; Haehnelt, Martin G.

2018-06-01

We present cosmological radiation-hydrodynamic simulations, performed with the code RAMSES-RT, of radiatively-driven outflows in a massive quasar host halo at z = 6. Our simulations include both single- and multi-scattered radiation pressure on dust from a quasar and are compared against simulations performed with thermal feedback. For radiation pressure-driving, we show that there is a critical quasar luminosity above which a galactic outflow is launched, set by the equilibrium of gravitational and radiation forces. While this critical luminosity is unrealistically high in the single-scattering limit for plausible black hole masses, it is in line with a ≈ 3 × 10^9 M_⊙ black hole accreting at its Eddington limit, if infrared (IR) multi-scattering radiation pressure is included. The outflows are fast (v ≳ 1000 km s^{-1}) and strongly mass-loaded with peak mass outflow rates ≈ 10^3 - 10^4 M_⊙ yr^{-1}, but short-lived (< 10 Myr). Outflowing material is multi-phase, though predominantly composed of cool gas, forming via a thermal instability in the shocked swept-up component. Radiation pressure- and thermally-driven outflows both affect their host galaxies significantly, but in different, complementary ways. Thermally-driven outflows couple more efficiently to diffuse halo gas, generating more powerful, hotter and more volume-filling outflows. IR radiation, through its ability to penetrate dense gas via diffusion, is more efficient at ejecting gas from the bulge. The combination of gas ejection through outflows with internal pressurisation by trapped IR radiation leads to a complete shut down of star formation in the bulge. We hence argue that radiation pressure-driven feedback may be an important ingredient in regulating star formation in compact starbursts, especially during the quasar's `obscured' phase.

On the development and benchmarking of an approach to model gas transport in fractured media with immobile water storage

NASA Astrophysics Data System (ADS)

Harp, D. R.; Ortiz, J. P.; Pandey, S.; Karra, S.; Viswanathan, H. S.; Stauffer, P. H.; Anderson, D. N.; Bradley, C. R.

2017-12-01

In unsaturated fractured media, the rate of gas transport is much greater than liquid transport in many applications (e.g., soil vapor extraction operations, methane leaks from hydraulic fracking, shallow CO2 transport from geologic sequestration operations, and later-time radionuclide gas transport from underground nuclear explosions). However, the relatively immobile pore water can inhibit or promote gas transport for soluble constituents by providing storage. In scenarios with constant pressure gradients, the gas transport will be retarded. In scenarios with reversing pressure gradients (i.e. barometric pressure variations) pore water storage can enhance gas transport by providing a ratcheting mechanism. Recognizing the computational efficiency that can be gained using a single-phase model and the necessity of considering pore water storage, we develop a Richard's solution approach that includes kinetic dissolution/volatilization of constituents. Henry's Law governs the equilibrium gaseous/aqueous phase partitioning in the approach. The approach is implemented in a development branch of the PFLOTRAN simulator. We verify the approach with analytical solutions of: (1) 1D gas diffusion, (2) 1D gas advection, (3) sinusoidal barometric pumping of a fracture, and (4) gas transport along a fracture with uniform flow and diffusive walls. We demonstrate the retardation of gas transport in cases with constant pressure gradients and the enhancement of gas transport with reversing pressure gradients. The figure presents the verification of our approach to the analytical solution of barometric pumping of a fracture from Nilson et al (1991) where the x-axis "Horizontal axis" is the distance into the matrix block from the fracture.

On the development and benchmarking of an approach to model gas transport in fractured media with immobile water storage

NASA Astrophysics Data System (ADS)

Harp, D. R.; Ortiz, J. P.; Pandey, S.; Karra, S.; Viswanathan, H. S.; Stauffer, P. H.; Anderson, D. N.; Bradley, C. R.

2016-12-01

In unsaturated fractured media, the rate of gas transport is much greater than liquid transport in many applications (e.g., soil vapor extraction operations, methane leaks from hydraulic fracking, shallow CO2 transport from geologic sequestration operations, and later-time radionuclide gas transport from underground nuclear explosions). However, the relatively immobile pore water can inhibit or promote gas transport for soluble constituents by providing storage. In scenarios with constant pressure gradients, the gas transport will be retarded. In scenarios with reversing pressure gradients (i.e. barometric pressure variations) pore water storage can enhance gas transport by providing a ratcheting mechanism. Recognizing the computational efficiency that can be gained using a single-phase model and the necessity of considering pore water storage, we develop a Richard's solution approach that includes kinetic dissolution/volatilization of constituents. Henry's Law governs the equilibrium gaseous/aqueous phase partitioning in the approach. The approach is implemented in a development branch of the PFLOTRAN simulator. We verify the approach with analytical solutions of: (1) 1D gas diffusion, (2) 1D gas advection, (3) sinusoidal barometric pumping of a fracture, and (4) gas transport along a fracture with uniform flow and diffusive walls. We demonstrate the retardation of gas transport in cases with constant pressure gradients and the enhancement of gas transport with reversing pressure gradients. The figure presents the verification of our approach to the analytical solution of barometric pumping of a fracture from Nilson et al (1991) where the x-axis "Horizontal axis" is the distance into the matrix block from the fracture.

Portable Nitric Oxide (NO) Generator Based on Electrochemical Reduction of Nitrite for Potential Applications in Inhaled NO Therapy and Cardiopulmonary Bypass Surgery.

PubMed

Qin, Yu; Zajda, Joanna; Brisbois, Elizabeth J; Ren, Hang; Toomasian, John M; Major, Terry C; Rojas-Pena, Alvaro; Carr, Benjamin; Johnson, Thomas; Haft, Jonathan W; Bartlett, Robert H; Hunt, Andrew P; Lehnert, Nicolai; Meyerhoff, Mark E

2017-11-06

A new portable gas phase nitric oxide (NO) generator is described for potential applications in inhaled NO (INO) therapy and during cardiopulmonary bypass (CPB) surgery. In this system, NO is produced at the surface of a large-area mesh working electrode by electrochemical reduction of nitrite ions in the presence of a soluble copper(II)-ligand electron transfer mediator complex. The NO generated is then transported into gas phase by either direct purging with nitrogen/air or via circulating the electrolyte/nitrite solution through a gas extraction silicone fiber-based membrane-dialyzer assembly. Gas phase NO concentrations can be tuned in the range of 5-1000 ppm (parts per million by volume for gaseous species), in proportion to a constant cathodic current applied between the working and counter electrodes. This new NO generation process has the advantages of rapid production times (5 min to steady-state), high Faraday NO production efficiency (ca. 93%), excellent stability, and very low cost when using air as the carrier gas for NO (in the membrane dialyzer configuration), enabling the development of potentially portable INO devices. In this initial work, the new system is examined for the effectiveness of gaseous NO to reduce the systemic inflammatory response (SIR) during CPB, where 500 ppm of NO added to the sweep gas of the oxygenator or to the cardiotomy suction air in a CPB system is shown to prevent activation of white blood cells (granulocytes and monocytes) during extracorporeal circulation with cardiotomy suction conducted with five pigs.

Three Dimensional Simulations of Multiphase Flows Using a Lattice Boltzmann Method Suitable for High Density Ratios - 12126

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gokaltun, Seckin; McDaniel, Dwayne; Roelant, David

2012-07-01

Multiphase flows involving gas and liquid phases can be observed in engineering operations at various Department of Energy sites, such as mixing of slurries using pulsed-air mixers and hydrogen gas generation in liquid waste tanks etc. The dynamics of the gas phase in the liquid domain play an important role in the mixing effectiveness of the pulsed-air mixers or in the level of gas pressure build-up in waste tanks. To understand such effects, computational fluid dynamics methods (CFD) can be utilized by developing a three-dimensional computerized multiphase flow model that can predict accurately the behavior of gas motion inside liquid-filledmore » tanks by solving the governing mathematical equations that represent the physics of the phenomena. In this paper, such a CFD method, lattice Boltzmann method (LBM), is presented that can model multiphase flows accurately and efficiently. LBM is favored over traditional Navier-Stokes based computational models since interfacial forces are handled more effectively in LBM. The LBM is easier to program, more efficient to solve on parallel computers, and has the ability to capture the interface between different fluid phases intrinsically. The LBM used in this paper can solve for the incompressible and viscous flow field in three dimensions, while at the same time, solve the Cahn-Hillard equation to track the position of the gas-liquid interface specifically when the density and viscosity ratios between the two fluids are high. This feature is of primary importance since the previous LBM models proposed for multiphase flows become unstable when the density ratio is larger than 10. The ability to provide stable and accurate simulations at large density ratios becomes important when the simulation case involves fluids such as air and water with a density ratio around 1000 that are common to many engineering problems. In order to demonstrate the capability of the 3D LBM method at high density ratios, a static bubble simulation is conducted to solve for the pressure difference between the inside and outside of a gas bubble in a liquid domain. Once the results show that the method is in agreement with the Laplace law, buoyant bubble simulations are conducted. The initial results obtained for bubble shape during the rising process was found to be in agreement with the theoretical expectations. (authors)« less

Estimating the gas hydrate recovery prospects in the western Black Sea basin based on the 3D multiphase flow of fluid and gas components within highly permeable paleo-channel-levee systems

NASA Astrophysics Data System (ADS)

Burwicz, Ewa; Zander, Timo; Rottke, Wolf; Bialas, Joerg; Hensen, Christian; Atgin, Orhan; Haeckel, Matthias

2017-04-01

Gas hydrate deposits are abundant in the Black Sea region and confirmed by direct observations as well as geophysical evidence, such as continuous bottom simulating reflectors (BSRs). Although those gas hydrate accumulations have been well-studied for almost two decades, the migration pathways of methane that charge the gas hydrate stability zone (GHSZ) in the region are unknown. The aim of this study is to explore the most probable gas migration scenarios within a three-dimensional finite element grid based on seismic surveys and available basin cross-sections. We have used the commercial software PetroMod(TM) (Schlumberger) to perform a set of sensitivity studies that narrow the gap between the wide range of sediment properties affecting the multi-phase flow in porous media. The high-resolution model domain focuses on the Danube deep-sea fan and associated buried sandy channel-levee systems whereas the total extension of the model domain covers a larger area of the western Black Sea basin. Such a large model domain allows for investigating biogenic as well as thermogenic methane generation and a permeability driven migration of the free phase of methane on a basin scale to confirm the hypothesis of efficient methane migration into the gas hydrate reservoir layers by horizontal flow along the carrier beds.

The interstellar medium in Andromeda's dwarf spheroidal galaxies - II. Multiphase gas content and ISM conditions

NASA Astrophysics Data System (ADS)

De Looze, Ilse; Baes, Maarten; Cormier, Diane; Kaneko, Hiroyuki; Kuno, Nario; Young, Lisa; Bendo, George J.; Boquien, Médéric; Fritz, Jacopo; Gentile, Gianfranco; Kennicutt, Robert C.; Madden, Suzanne C.; Smith, Matthew W. L.; Wilson, Christine D.

2017-03-01

We make an inventory of the interstellar medium material in three low-metallicity dwarf spheroidal galaxies of the Local Group (NGC 147, NGC 185 and NGC 205). Ancillary H I, CO, Spitzer Infrared Spectrograph spectra, Hα and X-ray observations are combined to trace the atomic, cold and warm molecular, ionized and hot gas phases. We present new Nobeyama CO(1-0) observations and Herschel SPIRE FTS [C I] observations of NGC 205 to revise its molecular gas content. We derive total gas masses of Mg = 1.9-5.5 × 105 M⊙ for NGC 185 and Mg = 8.6-25.0 × 105 M⊙ for NGC 205. Non-detections combine to an upper limit on the gas mass of Mg ≤ 0.3-2.2 × 105 M⊙ for NGC 147. The observed gas reservoirs are significantly lower compared to the expected gas masses based on a simple closed-box model that accounts for the gas mass returned by planetary nebulae and supernovae. The gas-to-dust mass ratios GDR ∼ 37-107 and 48-139 are also considerably lower compared to the expected GDR ∼ 370 and 520 for the low metal abundances in NGC 185 (0.36 Z⊙) and NGC 205 (0.25 Z⊙), respectively. To simultaneously account for the gas deficiency and low gas-to-dust ratios, we require an efficient removal of a large gas fraction and a longer dust survival time (∼1.6 Gyr). We believe that efficient galactic winds (combined with heating of gas to sufficiently high temperatures in order for it to escape from the galaxy) and/or environmental interactions with neighbouring galaxies are responsible for the gas removal from NGC 147, NGC 185 and NGC 205.

Numerical Simulation of Slag Eye Formation and Slag Entrapment in a Bottom-Blown Argon-Stirred Ladle

NASA Astrophysics Data System (ADS)

Liu, Wei; Tang, Haiyan; Yang, Shufeng; Wang, Minghui; Li, Jingshe; Liu, Qing; Liu, Jianhui

2018-06-01

A transient mathematical model is developed for simulating the bubble-steel-slag-top gas four-phase flow in a bottom-blown argon-stirred ladle with a 70-ton capacity. The Lagrangian discrete phase model (DPM) is used for describing the moving behavior of bubbles in the steel and slag. To observe the formation process of slag eye, the volume of fluid (VOF) model is used to track the interfaces between three incompressible phases: metal/slag, metal/gas, and slag/gas. The complex multiphase turbulent flow induced by bubble-liquid interactions is solved by a large eddy simulation (LES) model. Slag eye area and slag droplet dispersion are investigated under different gas flow rates. The results show that the movement of bubbles, formation and collapse of slag eye, volatility of steel/slag interface and behavior of slag entrapment can be properly predicted in the current model. When the gas flow rate is 300 L/min, the circulation driven by the bubble plume will stir the entire ladle adequately and form a slag eye of the right size. At the same time, it will not cause strong erosion to the ladle wall, and the fluctuation of the interface is of adequate intensity, which will be helpful for improving the desulfurization efficiency; the slag entrapment behavior can also be decreased. Interestingly, with the motion of liquid steel circulation, the collision and coalescence of dispersed slag droplets occur during the floating process in the vicinity of the wall.

Evaluation of phase separator number in hydrodesulfurization (HDS) unit

NASA Astrophysics Data System (ADS)

Jayanti, A. D.; Indarto, A.

2016-11-01

The removal process of acid gases such as H2S in natural gas processing industry is required in order to meet sales gas specification. Hydrodesulfurization (HDS)is one of the processes in the refinery that is dedicated to reduce sulphur.InHDS unit, phase separator plays important role to remove H2S from hydrocarbons, operated at a certain pressure and temperature. Optimization of the number of separator performed on the system is then evaluated to understand the performance and economics. From the evaluation, it shows that all systems were able to meet the specifications of H2S in the desired product. However, one separator system resulted the highest capital and operational costs. The process of H2S removal with two separator systems showed the best performance in terms of both energy efficiency with the lowest capital and operating cost. The two separator system is then recommended as a reference in the HDS unit to process the removal of H2S from natural gas.

Start-up, performance and optimization of a compost biofilter treating gas-phase mixture of benzene and toluene.

PubMed

Rene, Eldon R; Kar, Saurajyoti; Krishnan, Jagannathan; Pakshirajan, K; López, M Estefanía; Murthy, D V S; Swaminathan, T

2015-08-01

The performance of a compost biofilter inoculated with mixed microbial consortium was optimized for treating a gas-phase mixture of benzene and toluene. The biofilter was acclimated to these VOCs for a period of ∼18d. The effects of concentration and flow rate on the removal efficiency (RE) and elimination capacity (EC) were investigated by varying the inlet concentration of benzene (0.12-0.95g/m(3)), toluene (0.14-1.48g/m(3)) and gas-flow rate (0.024-0.072m(3)/h). At comparable loading rates, benzene removal in the mixture was reduced in the range of 6.6-41% in comparison with the individual benzene degradation. Toluene removal in mixture was even more affected as observed from the reductions in REs, ranging from 18.4% to 76%. The results were statistically interpreted by performing an analysis of variance (ANOVA) to elucidate the main and interaction effects. Copyright © 2015 Elsevier Ltd. All rights reserved.

Low-Cost Approaches to III–V Semiconductor Growth for Photovoltaic Applications

DOE PAGES

Greenaway, Ann L.; Boucher, Jason W.; Oener, Sebastian Z.; ...

2017-08-31

III–V semiconductors form the most efficient single- and multijunction photovoltaics. Metal–organic vapor-phase epitaxy, which uses toxic and pyrophoric gas-phase precursors, is the primary commercial growth method for these materials. In order for the use of highly efficient III–V-based devices to be expanded as the demand for renewable electricity grows, a lower-cost approach to the growth of these materials is needed. This Review focuses on three deposition techniques compatible with current device architectures: hydride vapor-phase epitaxy, close-spaced vapor transport, and thin-film vapor–liquid–solid growth. Here, we consider recent advances in each technique, including the available materials space, before providing an in-depth comparisonmore » of growth technology advantages and limitations and considering the impact of modifications to the method of production on the cost of the final photovoltaics.« less

Secondary formation of nitrated phenols: insights from observations during the Uintah Basin Winter Ozone Study (UBWOS) 2014

NASA Astrophysics Data System (ADS)

Yuan, B.; Liggio, J.; Wentzell, J.; Li, S.-M.; Stark, H.; Roberts, J. M.; Gilman, J.; Lerner, B.; Warneke, C.; Li, R.; Leithead, A.; Osthoff, H. D.; Wild, R.; Brown, S. S.; de Gouw, J. A.

2015-10-01

We describe the results from online measurements of nitrated phenols using a time of flight chemical ionization mass spectrometer (ToF-CIMS) with acetate as reagent ion in an oil and gas production region in January and February of 2014. Strong diurnal profiles were observed for nitrated phenols, with concentration maxima at night. Based on known markers (CH4, NOx, CO2), primary emissions of nitrated phenols were not important in this study. A box model was used to simulate secondary formation of phenol, nitrophenol (NP) and dinitrophenols (DNP). The box model results indicate that oxidation of aromatics in the gas phase can explain the observed concentrations of NP and DNP in this study. Photolysis was the most efficient loss pathway for NP in the gas phase. We show that aqueous-phase reactions and heterogeneous reactions were minor sources of nitrated phenols in our study. This study demonstrates that the emergence of new ToF-CIMS (including PTR-TOF) techniques allows for the measurement of intermediate oxygenates at low levels and these measurements improve our understanding of the evolution of primary VOCs in the atmosphere.

Secondary formation of nitrated phenols: insights from observations during the Uintah Basin Winter Ozone Study (UBWOS) 2014

NASA Astrophysics Data System (ADS)

Yuan, Bin; Liggio, John; Wentzell, Jeremy; Li, Shao-Meng; Stark, Harald; Roberts, James M.; Gilman, Jessica; Lerner, Brian; Warneke, Carsten; Li, Rui; Leithead, Amy; Osthoff, Hans D.; Wild, Robert; Brown, Steven S.; de Gouw, Joost A.

2016-02-01

We describe the results from online measurements of nitrated phenols using a time-of-flight chemical ionization mass spectrometer (ToF-CIMS) with acetate as reagent ion in an oil and gas production region in January and February of 2014. Strong diurnal profiles were observed for nitrated phenols, with concentration maxima at night. Based on known markers (CH4, NOx, CO2), primary emissions of nitrated phenols were not important in this study. A box model was used to simulate secondary formation of phenol, nitrophenol (NP), and dinitrophenols (DNP). The box model results indicate that oxidation of aromatics in the gas phase can explain the observed concentrations of NP and DNP in this study. Photolysis was the most efficient loss pathway for NP in the gas phase. We show that aqueous-phase reactions and heterogeneous reactions were minor sources of nitrated phenols in our study. This study demonstrates that the emergence of new ToF-CIMS (including PTR-TOF) techniques allows for the measurement of intermediate oxygenates at low levels and these measurements improve our understanding on the evolution of primary VOCs in the atmosphere.

Modern process designs for very high NGL recovery

DOE Office of Scientific and Technical Information (OSTI.GOV)

Finn, A.J.; Tomlinson, T.R.; Johnson, G.L.

1999-07-01

Typical margins between NGL and sales gas can justify consideration of very high NGL recovery from natural gas but traditionally, very high percentage recovery of propane or ethane has led to disproportionally high incremental power consumption and hence expensive compressors. Recent technical advances in the process design of cryogenic gas processing plants and in the equipment they se have led to a new breed of flowsheets that can cost-effectively give propane recoveries of as high as 99%. The high NGL recovery achievable with modern plants is economically possible due to their high thermodynamic efficiency. This is mainly because they usemore » the refrigeration available from the process more effectively and so recover more NGL. A high pressure rectification step can further improve NGL recovery economically, especially on larger plants. This residual NGL content would normally remain in the sales gas on a conventional turboexpander plant. Improved recovery of NGL can be obtained with little or no increase in sales gas compression power compared to conventional plants by judicious use of heat exchanger area. With high feed gas pressure and particularly with dense phase operation, the use of two expanders in series for feed gas let-down gives good process efficiency and relatively low specific power per ton of NGL recovered. Use of two expanders also avoids excessive liquid flows in the expander exhaust, thus improving the performance and reliability of the turboexpander system. The techniques discussed in the paper can be employed on revamps to improve NGL recovery. Improved process performance relies heavily on the use of efficient, multistream plant-fin exchangers and these can be easily added to an existing facility to increase NGL production.« less

Biomass drying in a pulsed fluidized bed without inert bed particles

DOE PAGES

Jia, Dening; Bi, Xiaotao; Lim, C. Jim; ...

2016-08-29

Batch drying was performed in the pulsed fluidized bed with various species of biomass particles as an indicator of gas–solid contact efficiency and mass transfer rate under different operating conditions including pulsation duty cycle and particle size distribution. The fluidization of cohesive biomass particles benefited from the shorter opening time of pulsed gas flow and increased peak pressure drop. The presence of fines enhanced gas–solid contact of large and irregular biomass particles, as well as the mass transfer efficiency. A drying model based on two-phase theory was proposed, from which effective diffusivity was calculated for various gas flow rates, temperaturemore » and pulsation frequency. Intricate relationship was discovered between pulsation frequency and effective diffusivity, as mass transfer was deeply connected with the hydrodynamics. Effective diffusivity was also found to be proportional to gas flow rate and drying temperature. In conclusion, operating near the natural frequency of the system also favored drying and mass transfer.« less

The Effects of a Macromolecular Charring Agent with Gas Phase and Condense Phase Synergistic Flame Retardant Capability on the Properties of PP/IFR Composites

PubMed Central

Chen, Hongda; Wang, Jihui; Ding, Anxin; Han, Xia; Sun, Ziheng

2018-01-01

In order to improve the efficiency of intumescent flame retardants (IFRs), a novel macromolecular charring agent named poly(ethanediamine-1,3,5-triazine-p-4-amino-2,2,6,6-tetramethylpiperidine) (PETAT) with gas phase and condense phase synergistic flame-retardant capability was synthesized and subsequently dispersed into polypropylene (PP) in combination with ammonium polyphosphate (APP) via a melt blending method. The chemical structure of PETAT was investigated by Fourier transform infrared spectroscopy (FTIR), and 1H nuclear magnetic resonance (NMR) spectroscopy. Thermal properties of the PETAT and IFR systems were tested by thermogravimetric-derivative thermogravimetric analysis (TGA-DTG) and thermogravimetry–Fourier transform infrared spectroscopy (TG-FTIR). The mechanical properties, thermal stability, flame-retardant properties, water resistance, and structures of char residue in flame-retardant composites were characterized using tensile and flexural strength property tests, TGA, limiting oxygen index (LOI) values before and after soaking, underwritten laboratory-94 (UL-94) vertical burning test, cone calorimetric test (CCT), scanning electron microscopy with energy dispersive X-ray spectrometry (SEM-EDXS), and FTIR. The results indicated that PETAT was successfully synthesized, and when the ratio of APP to PETAT was 2:1 with 25 wt % loading, the novel IFR system could reduce the deterioration of tensile strength and enhance the flexural strength of composites. Meanwhile, the flame-retardant composite was able to pass the UL-94 V-0 rating with an LOI value of 30.3%, and the peak of heat release rate (PHRR), total heat release (THR), and material fire hazard values were considerably decreased compared with others. In addition, composites also exhibited excellent water resistance properties compared with traditional IFR composites. SEM-EDXS and FTIR analyses of the char residues, as well as TG-FTIR analyses of IFR were used to investigate the flame-retardant mechanism of the APP/PETAT IFR system. The results indicated that the efficient flame retardancy of PP/IFR composites could be attributed to the synergism of the free radical-quenching and char layer-protecting mechanisms in the gas phase and condense phase, respectively. PMID:29324716

The Effects of a Macromolecular Charring Agent with Gas Phase and Condense Phase Synergistic Flame Retardant Capability on the Properties of PP/IFR Composites.

PubMed

Chen, Hongda; Wang, Jihui; Ni, Aiqing; Ding, Anxin; Han, Xia; Sun, Ziheng

2018-01-11

In order to improve the efficiency of intumescent flame retardants (IFRs), a novel macromolecular charring agent named poly(ethanediamine-1,3,5-triazine-p-4-amino-2,2,6,6-tetramethylpiperidine) (PETAT) with gas phase and condense phase synergistic flame-retardant capability was synthesized and subsequently dispersed into polypropylene (PP) in combination with ammonium polyphosphate (APP) via a melt blending method. The chemical structure of PETAT was investigated by Fourier transform infrared spectroscopy (FTIR), and ¹H nuclear magnetic resonance (NMR) spectroscopy. Thermal properties of the PETAT and IFR systems were tested by thermogravimetric-derivative thermogravimetric analysis (TGA-DTG) and thermogravimetry-Fourier transform infrared spectroscopy (TG-FTIR). The mechanical properties, thermal stability, flame-retardant properties, water resistance, and structures of char residue in flame-retardant composites were characterized using tensile and flexural strength property tests, TGA, limiting oxygen index (LOI) values before and after soaking, underwritten laboratory-94 (UL-94) vertical burning test, cone calorimetric test (CCT), scanning electron microscopy with energy dispersive X-ray spectrometry (SEM-EDXS), and FTIR. The results indicated that PETAT was successfully synthesized, and when the ratio of APP to PETAT was 2:1 with 25 wt % loading, the novel IFR system could reduce the deterioration of tensile strength and enhance the flexural strength of composites. Meanwhile, the flame-retardant composite was able to pass the UL-94 V-0 rating with an LOI value of 30.3%, and the peak of heat release rate (PHRR), total heat release (THR), and material fire hazard values were considerably decreased compared with others. In addition, composites also exhibited excellent water resistance properties compared with traditional IFR composites. SEM-EDXS and FTIR analyses of the char residues, as well as TG-FTIR analyses of IFR were used to investigate the flame-retardant mechanism of the APP/PETAT IFR system. The results indicated that the efficient flame retardancy of PP/IFR composites could be attributed to the synergism of the free radical-quenching and char layer-protecting mechanisms in the gas phase and condense phase, respectively.

Review of the methods to form hydrogen peroxide in electrical discharge plasma with liquid water

NASA Astrophysics Data System (ADS)

Locke, Bruce R.; Shih, Kai-Yuan

2011-06-01

This paper presents a review of the literature dealing with the formation of hydrogen peroxide from plasma processes. Energy yields for hydrogen peroxide generation by plasma from water span approximately three orders of magnitude from 4 × 10-2 to 80 g kWh-1. A wide range of plasma processes from rf to pulsed, ac, and dc discharges directly in the liquid phase have similar energy yields and may thus be limited by radical quenching processes at the plasma-liquid interface. Reactor modification using discharges in bubbles and discharges over the liquid phase can provide modest improvements in energy yield over direct discharge in the liquid, but the interpretation is complicated by additional chemical reactions of gas phase components such as ozone and nitrogen oxides. The highest efficiency plasma process utilizes liquid water droplets that may enhance efficiency by sequestering hydrogen peroxide in the liquid and by suppressing decomposition reactions by radicals from the gas and at the interface. Kinetic simulations of water vapor reported in the literature suggest that plasma generation of hydrogen peroxide should approach 45% of the thermodynamics limit, and this fact coupled with experimental studies demonstrating improvements with the presence of the condensed liquid phase suggest that further improvements in energy yield may be possible. Plasma generation of hydrogen peroxide directly from water compares favorably with a number of other methods including electron beam, ultrasound, electrochemical and photochemical methods, and other chemical processes.

A Sleeping Giant Awakened: Reignition of AGN Activity, Reborn Star Formation, and a Multiphase Outflow in one of the Largest Radio Galaxies Known

NASA Astrophysics Data System (ADS)

Tremblay, Grant; O'Dea, Christopher; Labiano, Alvaro; Baum, Stefi; McDermid, Richard; Combes, Francoise; Garcia-Burillo, Santiago; Davis, Timothy

2014-08-01

3C 236 is the second largest known radio galaxy and one of the largest objects in the known Universe. Its central AGN has recently reignited after a 10 Myr dormancy period, giving rise to a very young and compact radio source and a 1000 km/sec outflow of warm ionized and atomic HI gas. We propose GMOS-N IFU observations to resolve this outflow, determine its driver, and estimate the relative coupling efficiencies between the warm ionized, atomic, and cold molecular gas phases. We will assemble a much-needed spatially resolved Balmer decrement (extinction map) across the dramatic double dust lanes of this source, enabling high spatial resolution star formation rate, efficiency, and gas excitation and velocity maps. These will address several mysteries related to the very high star formation efficiency and the unique nature of the multiphase outflow in this source. 3C 236 is such a remarkable galaxy that whatever the results of the proposed observations, they will have wide-ranging implications for the triggering of star formation and AGN activity, their possibly coupled co-evolution, and the feedback effects of the latter on the former.

Research on acting mechanism and behavior of a gas bubble in the air dense medium fluidized bed

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tao, X.; Chen, Q.; Yang, Y.

1996-12-31

Coal dry beneficiation with air-dense medium fluidized bed has now been established as a high efficiency dry separation technology, it is the application of fluidization technology to the coal preparation field. The tiny particle media forms an uniform and stable fluidized bed with a density acted by airflow, which is used to separate 80{micro}m to {approximately}6mm size coal. This technology has achieved satisfied industrialization results, and attracted the expert`s attention in the field. In fluidized bed, the interaction between gas and solid was mainly decided by the existence state of heavy media particles mass (position and distance) relative velocity ofmore » gas-solid two phase, as well turbulent action. A change of vertical gas-solid fluidizing state essentially is the one of a energy transforming process. For a coal separating process with air-dense medium fluidized bed, the gas bubble, producing a turbulent and stirring action in the bed, leads to two effects. It can promote a uniform distribution of heavy media particles, and a uniform and stability of a bed density. Otherwise it will decrease effective contacts between gas-solids two phases, producing a bigger gas bubble. Therefore controlling a gas bubble size in bed should be optimized. This paper analyzes mutual movement between gas-solid, and studies the gas bubble behavior in the bed. A mechanic mode and a separating process of coal in the bed is discussed. It aims to research the coal separating mechanism with air-dense fluidized bed.« less

Simultaneous extraction and determination of phthalate esters in aqueous solution by yolk-shell magnetic mesoporous carbon-molecularly imprinted composites based on solid-phase extraction coupled with gas chromatography-mass spectrometry.

PubMed

Yang, Rui; Liu, Yuxin; Yan, Xiangyang; Liu, Shaomin

2016-12-01

A rapid, sensitive and accurate method for the simultaneous extraction and determination of five types of trace phthalate esters (PAEs) in environmental water and beverage samples using magnetic molecularly imprinted solid-phase extraction (MMIP-SPE) coupled with gas chromatography-mass spectrometry (GC-MS) was developed. A novel type of molecularly imprinted polymers on the surface of yolk-shell magnetic mesoporous carbon (Fe 3 O 4 @void@C-MIPs) was used as an efficient adsorbent for selective adsorption of phthalate esters based on magnetic solid-phase extraction (MSPE). The real samples were first preconcentrated by Fe 3 O 4 @void@C-MIPs, subsequently extracted by eluent and finally determined by GC-MS after magnetic separation. Several variables affecting the extraction efficiency of the analytes, including the type and volume of the elution solvent, amount of adsorbent, extraction time, desorption time and pH of the sample solution, were investigated and optimized. Validation experiments indicated that the developed method presented good linearity (R 2 >0.9961), satisfactory precision (RSD<6.7%), and high recovery (86.1-103.1%). The limits of detection ranged from 1.6ng/L to 5.2ng/L and the enrichment factor was in the range of 822-1423. The results indicated that the novel method had the advantages of convenience, good sensitivity, and high efficiency, and it could also be successfully applied to the analysis of PAEs in real samples. Copyright © 2016. Published by Elsevier B.V.

Efficient hydrodeoxygenation of biomass-derived ketones over bifunctional Pt-polyoxometalate catalyst.

PubMed

Alotaibi, Mshari A; Kozhevnikova, Elena F; Kozhevnikov, Ivan V

2012-07-21

Acidic heteropoly salt Cs(2.5)H(0.5)PW(12)O(40) doped with Pt nanoparticles is a highly active and selective catalyst for one-step hydrogenation of methyl isobutyl and diisobutyl ketones to the corresponding alkanes in the gas phase at 100 °C with 97-99% yield via metal-acid bifunctional catalysis.

Reducing cement's CO2 footprint

USGS Publications Warehouse

van Oss, Hendrik G.

2011-01-01

The manufacturing process for Portland cement causes high levels of greenhouse gas emissions. However, environmental impacts can be reduced by using more energy-efficient kilns and replacing fossil energy with alternative fuels. Although carbon capture and new cements with less CO2 emission are still in the experimental phase, all these innovations can help develop a cleaner cement industry.

Porous Metal Carboxylate Boron Imidazolate Frameworks (MC-BIFs)

PubMed Central

Zheng, Shoutian; Wu, Tao; Zhang, Jian; Chow, Mina; Nieto, Ruben A.

2011-01-01

Integrated Material for Efficient CO2 Storage A new family of porous materials with tunable gas sorption properties have been made by integrating metal carboxylates and boron imidazolates under hydro- or solvothermal conditions. One hydrothermally synthesized phase exhibits a very high volumetric CO2 storage capacity at 81 L/L (273K, 1atm). PMID:20583020

Preparation of a novel hyperbranched carbosilane-silica hybrid coating for trace amount detection by solid phase microextraction/gas chromatography.

PubMed

Chen, Guowen; Li, Wenjie; Zhang, Chen; Zhou, Chuanjian; Feng, Shengyu

2012-09-21

Phenyl-ended hyperbranched carbosilane (HBC) is synthesized and immobilized onto the inner wall of a fused silica capillary column using a sol-gel process. The hybrid coating layer formed is used as a stationary phase for gas chromatography (GC) and as an adsorption medium for solid phase microextraction (SPME). Trifluoroacetic acid, as a catalyst in this process, helps produce a homogeneous hybrid coating layer. This result is beneficial for better column chromatographic performances, such as high efficiency and high resolution. Extraction tests using the novel hybrid layer show an extraordinarily large adsorption capacity and specific adsorption behavior for aromatic compounds. A 1 ppm trace level detectability is obtained with the SPME/GC work model when both of the stationary phase and adsorption layer bear a hyperbranched structure. A large amount of phenyl groups and a low viscosity of hyperbranched polymers contribute to these valuable properties, which are important to environment and safety control, wherein detection sensitivity and special adsorption behavior are usually required. Copyright © 2012 Elsevier B.V. All rights reserved.

Communication: Two-dimensional gas-phase coherent anti-Stokes Raman spectroscopy (2D-CARS): Simultaneous planar imaging and multiplex spectroscopy in a single laser shot

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bohlin, Alexis; Kliewer, Christopher J.

2013-01-01

Coherent anti-Stokes Raman spectroscopy (CARS) has been widely used as a powerful tool for chemical sensing, molecular dynamics measurements, and rovibrational spectroscopy since its development over 30 years ago, finding use in fields of study as diverse as combustion diagnostics, cell biology, plasma physics, and the standoff detection of explosives. The capability for acquiring resolved CARS spectra in multiple spatial dimensions within a single laser shot has been a long-standing goal for the study of dynamical processes, but has proven elusive because of both phase-matching and detection considerations. Here, by combining new phase matching and detection schemes with the highmore » efficiency of femtosecond excitation of Raman coherences, we introduce a technique for single-shot two-dimensional (2D) spatial measurements of gas phase CARS spectra. We demonstrate a spectrometer enabling both 2D plane imaging and spectroscopy simultaneously, and present the instantaneous measurement of 15, 000 spatially correlated rotational CARS spectra in N 2 and air over a 2D field of 40 mm 2.« less

Assessment of emissions and removal of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) at start-up periods in a hazardous waste incinerator.

PubMed

Karademir, Aykan; Korucu, M Kemal

2013-07-01

A study was conducted to observe the changes in polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/F) levels and congener profiles in the flue gas of a hazardous waste incinerator during two start-up periods. Flue gas samplings were performed simultaneously through Air Pollution Control Devices (APCDs) (including boiler outlet, electrostatic precipitator (ESP) outlet, wet scrubbers (WS) outlet, and activated carbon (AC) filter outlet) in different combustion temperatures during a planned cold (long) start-up and an unplanned warm (short) start-up. The results showed that PCDD/F concentrations could be elevated during the start-up periods up to levels 3-4 times higher than those observed in the normal operation. Especially lower combustion temperatures in the short start-ups may cause high PCDD/F concentrations in the raw flue gas. Assessment of combustion temperatures and Furans/Dioxins values indicated that surface-catalyzed de novo synthesis was the dominant pathway in the formation of PCDD/Fs in the combustion units. PCDD/F removal efficiencies of Air Pollution Control Devices suggested that formation by de novo synthesis existed in ESP also when in operation, leading to increase of gaseous phase PCDD/Fs in ESP Particle-bound PCDD/Fs were removed mainly by ESP and WS, while gaseous phase PCDD/Fs were removed by WS, and more efficiently by AC filter. This paper evaluates PCDD/F emissions and removal performances of APCDs (ESP, wet scrubbers, and activated carbon) during two start-up periods in an incinerator. The main implications are the following: (1) start-up periods increase PCDD/F emissions up to 2-3 times in the incinerator; (2) low combustion temperatures in start-ups cause high PCDD/F emissions in raw gas; (3) formation of PCDD/Fs by de novo synthesis occurs in ESP; (4) AC is efficient in removing gaseous PCDD/Fs, but may increase particle-bound ones; and (5) scrubbers remove both gaseous and particle-bound PCDD/Fs efficiently.

Gas exchange and hydraulics in seedlings of Hevea brasiliensis during water stress and recovery.

PubMed

Chen, Jun-Wen; Zhang, Qiang; Li, Xiao-Shuang; Cao, Kun-Fang

2010-07-01

The response of plants to drought has received significant attention, but far less attention has been given to the dynamic response of plants during recovery from drought. Photosynthetic performance and hydraulic capacity were monitored in seedlings of Hevea brasiliensis under water stress and during recovery following rewatering. Leaf water relation, gas exchange rate and hydraulic conductivity decreased gradually after water stress fell below a threshold, whereas instantaneous water use efficiency and osmolytes increased significantly. After 5 days of rewatering, leaf water relation, maximum stomatal conductance (g(s-max)) and plant hydraulic conductivity had recovered to the control levels except for sapwood area-specific hydraulic conductivity, photosynthetic assimilation rate and osmolytes. During the phase of water stress, stomata were almost completely closed before water transport efficiency decreased substantially, and moreover, the leaf hydraulic pathway was more vulnerable to water stress-induced embolism than the stem hydraulic pathway. Meanwhile, g(s-max) was linearly correlated with hydraulic capacity when water stress exceeded a threshold. In addition, a positive relationship was shown to occur between the recovery of g(s-max) and of hydraulic capacity during the phase of rewatering. Our results suggest (i) that stomatal closure effectively reduces the risk of xylem dysfunction in water-stressed plants at the cost of gas exchange, (ii) that the leaf functions as a safety valve to protect the hydraulic pathway from water stress-induced dysfunction to a larger extent than does the stem and (iii) that the full drought recovery of gas exchange is restricted by not only hydraulic factors but also non-hydraulic factors.

Study of two-phase flows in reduced gravity

NASA Astrophysics Data System (ADS)

Roy, Tirthankar

Study of gas-liquid two-phase flows under reduced gravity conditions is extremely important. One of the major applications of gas-liquid two-phase flows under reduced gravity conditions is in the design of active thermal control systems for future space applications. Previous space crafts were characterized by low heat generation within the spacecraft which needed to be redistributed within the craft or rejected to space. This task could easily have been accomplished by pumped single-phase loops or passive systems such as heat pipes and so on. However with increase in heat generation within the space craft as predicted for future missions, pumped boiling two-phase flows are being considered. This is because of higher heat transfer co-efficients associated with boiling heat transfer among other advantages. Two-phase flows under reduced gravity conditions also find important applications in space propulsion as in space nuclear power reactors as well as in many other life support systems of space crafts. Two-fluid model along with Interfacial Area Transport Equation (IATE) is a useful tool available to predict the behavior of gas-liquid two-phase flows under reduced gravity conditions. It should be noted that considerable differences exist between two-phase flows under reduced and normal gravity conditions especially for low inertia flows. This is because due to suppression of the gravity field the gas-liquid two-phase flows take a considerable time to develop under reduced gravity conditions as compared to normal gravity conditions. Hence other common methods of analysis applicable for fully developed gas-liquid two-phase flows under normal gravity conditions, like flow regimes and flow regime transition criteria, will not be applicable to gas-liquid two-phase flows under reduced gravity conditions. However the two-fluid model and the IATE need to be evaluated first against detailed experimental data obtained under reduced gravity conditions. Although lot of studies have been done in the past to understand the global structure of gas-liquid two-phase flows under reduced gravity conditions, using experimental setups aboard drop towers or aircrafts flying parabolic flights, detailed data on local structure of such two-phase flows are extremely rare. Hence experiments were carried out in a 304 mm inner diameter (ID) test facility on earth. Keeping in mind the detailed experimental data base that needs to be generated to evaluate two-fluid model along with IATE, ground based simulations provide the only economic path. Here the reduced gravity condition is simulated using two-liquids of similar densities (water and Therminol 59 RTM in the present case). Only adiabatic two-phase flows were concentrated on at this initial stage. Such a large diameter test section was chosen to study the development of drops to their full extent (it is to be noted that under reduced gravity conditions the stable bubble size in gas-liquid two-phase flows is much larger than that at normal gravity conditions). Twelve flow conditions were chosen around predicted bubbly flow to cap-bubbly flow transition region. Detailed local data was obtained at ten radial locations for each of three axial locations using state-of-the art multi-sensor conductivity probes. The results are presented and discussed. Also one-group as well as two-group, steady state, one-dimensional IATE was evaluated against data obtained here and by other researchers, and the results presented and discussed.

MHD Generating system

DOEpatents

Petrick, Michael; Pierson, Edward S.; Schreiner, Felix

1980-01-01

According to the present invention, coal combustion gas is the primary working fluid and copper or a copper alloy is the electrodynamic fluid in the MHD generator, thereby eliminating the heat exchangers between the combustor and the liquid-metal MHD working fluids, allowing the use of a conventional coalfired steam bottoming plant, and making the plant simpler, more efficient and cheaper. In operation, the gas and liquid are combined in a mixer and the resulting two-phase mixture enters the MHD generator. The MHD generator acts as a turbine and electric generator in one unit wherein the gas expands, drives the liquid across the magnetic field and thus generates electrical power. The gas and liquid are separated, and the available energy in the gas is recovered before the gas is exhausted to the atmosphere. Where the combustion gas contains sulfur, oxygen is bubbled through a side loop to remove sulfur therefrom as a concentrated stream of sulfur dioxide. The combustor is operated substoichiometrically to control the oxide level in the copper.

Deep eutectic solvent based gas-assisted dispersive liquid-phase microextraction combined with gas chromatography and flame ionization detection for the determination of some pesticide residues in fruit and vegetable samples.

PubMed

Farajzadeh, Mir Ali; Sattari Dabbagh, Masoumeh; Yadeghari, Adeleh

2017-05-01

In this study, a gas-assisted dispersive liquid-phase microextraction method using a deep eutectic solvent as the extraction solvent combined with gas chromatography and flame ionization detection was developed for the extraction and determination of some pesticide residues in vegetable and fruit juice samples. In this method, choline chloride and 4-chlorophenol at a molar ratio of 1:2 were mixed. By heating and vortexing, a clear, water-immiscible, and homogeneous liquid was formed. The obtained deep eutectic solvent was added to an aqueous solution of the analytes in a conical test tube. Air was bubbled into the aqueous solution and a cloudy solution was obtained. During this step, the analytes were extracted into the fine droplets of the extraction solvent. After centrifugation, an aliquot of the settled phase was injected into the separation system. Under the optimum extraction conditions, enrichment factors, and extraction recoveries were obtained in the ranges of 247-355 and 49-71%, respectively. The obtained values for the limits of detection and quantification were in the ranges of 0.24-1.4 and 0.71-4.2 μg/L, respectively. The proposed method is simple, fast, efficient, and inexpensive. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Gas-assisted dispersive liquid-phase microextraction using ionic liquid as extracting solvent for spectrophotometric speciation of copper.

PubMed

Akhond, Morteza; Absalan, Ghodratollah; Pourshamsi, Tayebe; Ramezani, Amir M

2016-07-01

Gas-assisted dispersive liquid-phase microextraction (GA-DLPME) has been developed for preconcentration and spectrophotometric determination of copper ion in different water samples. The ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate and argon gas, respectively, were used as the extracting solvent and disperser. The procedure was based on direct reduction of Cu(II) to Cu(I) by hydroxylamine hydrochloride, followed by extracting Cu(I) into ionic liquid phase by using neocuproine as the chelating agent. Several experimental variables that affected the GA-DLPME efficiency were investigated and optimized. Under the optimum experimental conditions (IL volume, 50µL; pH, 6.0; acetate buffer, 1.5molL(-1); reducing agent concentration, 0.2molL(-1); NC concentration, 120µgmL(-1); Ar gas bubbling time, 6min; argon flow rate, 1Lmin(-1); NaCl concentration, 6% w/w; and centrifugation time, 3min), the calibration graph was linear over the concentration range of 0.30-2.00µgmL(-1) copper ion with a limit of detection of 0.07µgmL(-1). Relative standard deviation for five replicate determinations of 1.0µgmL(-1) copper ion was found to be 3.9%. The developed method was successfully applied to determination of both Cu(I) and Cu(II) species in water samples. Copyright © 2016 Elsevier B.V. All rights reserved.

Molecular Beam Mass Spectrometry With Tunable Vacuum Ultraviolet (VUV) Synchrotron Radiation

PubMed Central

Golan, Amir; Ahmed, Musahid

2012-01-01

Tunable soft ionization coupled to mass spectroscopy is a powerful method to investigate isolated molecules, complexes and clusters and their spectroscopy and dynamics1-4. Fundamental studies of photoionization processes of biomolecules provide information about the electronic structure of these systems. Furthermore determinations of ionization energies and other properties of biomolecules in the gas phase are not trivial, and these experiments provide a platform to generate these data. We have developed a thermal vaporization technique coupled with supersonic molecular beams that provides a gentle way to transport these species into the gas phase. Judicious combination of source gas and temperature allows for formation of dimers and higher clusters of the DNA bases. The focus of this particular work is on the effects of non-covalent interactions, i.e., hydrogen bonding, stacking, and electrostatic interactions, on the ionization energies and proton transfer of individual biomolecules, their complexes and upon micro-hydration by water1, 5-9. We have performed experimental and theoretical characterization of the photoionization dynamics of gas-phase uracil and 1,3-dimethyluracil dimers using molecular beams coupled with synchrotron radiation at the Chemical Dynamics Beamline10 located at the Advanced Light Source and the experimental details are visualized here. This allowed us to observe the proton transfer in 1,3-dimethyluracil dimers, a system with pi stacking geometry and with no hydrogen bonds1. Molecular beams provide a very convenient and efficient way to isolate the sample of interest from environmental perturbations which in return allows accurate comparison with electronic structure calculations11, 12. By tuning the photon energy from the synchrotron, a photoionization efficiency (PIE) curve can be plotted which informs us about the cationic electronic states. These values can then be compared to theoretical models and calculations and in turn, explain in detail the electronic structure and dynamics of the investigated species 1, 3. PMID:23149375

Predicting the Fluid-Phase Behavior of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VR.

PubMed

Zhao, Binwu; Lindeboom, Tom; Benner, Steven; Jackson, George; Galindo, Amparo; Hall, Carol K

2017-10-24

The statistical associating fluid theory for potentials of variable range (SAFT-VR) is used to predict the fluid phase behavior of elastin-like polypeptide (ELP) sequences in aqueous solution with special focus on the loci of lower critical solution temperatures (LCSTs). A SAFT-VR model for these solutions is developed following a coarse-graining approach combining information from atomistic simulations and from previous SAFT models for previously reported relevant systems. Constant-pressure temperature-composition phase diagrams are determined for solutions of (VPGVG) n sequences + water with n = 1 to 300. The SAFT-VR equation of state lends itself to the straightforward calculation of phase boundaries so that complete fluid-phase equilibria can be calculated efficiently. A broad range of thermodynamic conditions of temperature and pressure are considered, and regions of vapor-liquid and liquid-liquid coexistence, including LCSTs, are found. The calculated phase boundaries at low concentrations match those measured experimentally. The temperature-composition phase diagrams of the aqueous ELP solutions at low pressure (0.1 MPa) are similar to those of types V and VI phase behavior in the classification of Scott and van Konynenburg. An analysis of the high-pressure phase behavior confirms, however, that a closed-loop liquid-liquid immiscibility region, separate from the gas-liquid envelope, is present for aqueous solutions of (VPGVG) 30 ; such a phase diagram is typical of type VI phase behavior. ELPs with shorter lengths exhibit both liquid-liquid and gas-liquid regions, both of which become less extensive as the chain length of the ELP is decreased. The strength of the hydrogen-bonding interaction is also found to affect the phase diagram of the (VPGVG) 30 system in that the liquid-liquid and gas-liquid regions expand as the hydrogen-bonding strength is decreased and shrink as it is increased. The LCSTs of the mixtures are seen to decrease as the ELP chain length is increased.

Advanced Hydrogen Turbine Development

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joesph Fadok

2008-01-01

Siemens has developed a roadmap to achieve the DOE goals for efficiency, cost reduction, and emissions through innovative approaches and novel technologies which build upon worldwide IGCC operational experience, platform technology, and extensive experience in G-class operating conditions. In Phase 1, the technologies and concepts necessary to achieve the program goals were identified for the gas turbine components and supporting technology areas and testing plans were developed to mitigate identified risks. Multiple studies were conducted to evaluate the impact in plant performance of different gas turbine and plant technologies. 2015 gas turbine technologies showed a significant improvement in IGCC plantmore » efficiency, however, a severe performance penalty was calculated for high carbon capture cases. Thermodynamic calculations showed that the DOE 2010 and 2015 efficiency targets can be met with a two step approach. A risk management process was instituted in Phase 1 to identify risk and develop mitigation plans. For the risks identified, testing and development programs are in place and the risks will be revisited periodically to determine if changes to the plan are necessary. A compressor performance prediction has shown that the design of the compressor for the engine can be achieved with additional stages added to the rear of the compressor. Tip clearance effects were studied as well as a range of flow and pressure ratios to evaluate the impacts to both performance and stability. Considerable data was obtained on the four candidate combustion systems: diffusion, catalytic, premix, and distributed combustion. Based on the results of Phase 1, the premixed combustion system and the distributed combustion system were chosen as having the most potential and will be the focus of Phase 2 of the program. Significant progress was also made in obtaining combustion kinetics data for high hydrogen fuels. The Phase 1 turbine studies indicate initial feasibility of the advanced hydrogen turbine that meets the aggressive targets set forth for the advanced hydrogen turbine, including increased rotor inlet temperature (RIT), lower total cooling and leakage air (TCLA) flow, higher pressure ratio, and higher mass flow through the turbine compared to the baseline. Maintaining efficiency with high mass flow Syngas combustion is achieved using a large high AN2 blade 4, which has been identified as a significant advancement beyond the current state-of-the-art. Preliminary results showed feasibility of a rotor system capable of increased power output and operating conditions above the baseline. In addition, several concepts were developed for casing components to address higher operating conditions. Rare earth modified bond coat for the purpose of reducing oxidation and TBC spallation demonstrated an increase in TBC spallation life of almost 40%. The results from Phase 1 identified two TBC compositions which satisfy the thermal conductivity requirements and have demonstrated phase stability up to temperatures of 1850 C. The potential to join alloys using a bonding process has been demonstrated and initial HVOF spray deposition trials were promising. The qualitative ranking of alloys and coatings in environmental conditions was also performed using isothermal tests where significant variations in alloy degradation were observed as a function of gas composition. Initial basic system configuration schematics and working system descriptions have been produced to define key boundary data and support estimation of costs. Review of existing materials in use for hydrogen transportation show benefits or tradeoffs for materials that could be used in this type of applications. Hydrogen safety will become a larger risk than when using natural gas fuel as the work done to date in other areas has shown direct implications for this type of use. Studies were conducted which showed reduced CO{sub 2} and NOx emissions with increased plant efficiency. An approach to maximize plant output is needed in order to address the DOE turbine goal for 20-30% reduction of combined cycle cost from the baseline. A customer advisory board was instituted during Phase 1 to obtain important feedback regarding the future direction of the project. he technologies being developed for the Hydrogen Turbine will also be utilized, as appropriate, in the 2010 time frame engine and the FutureGen Plant. These new technologies and concepts also have the potential to accelerate commercialization of advanced coal-based IGCC plants in the U. S. and around the world, thereby reducing emissions, water use, solid waste production and dependence on scarce, expensive and insecure foreign energy supplies. Technology developments accomplished in Phase 1 provide a solid foundation for ensuring successful completion in Phase 2 and providing that the challenging program goals will be achieved.« less

Comparative study for hardwood and softwood forest biomass: chemical characterization, combustion phases and gas and particulate matter emissions.

PubMed

Amaral, Simone Simões; de Carvalho, João Andrade; Costa, Maria Angélica Martins; Soares Neto, Turíbio Gomes; Dellani, Rafael; Leite, Luiz Henrique Scavacini

2014-07-01

Two different types of typical Brazilian forest biomass were burned in the laboratory in order to compare their combustion characteristics and pollutant emissions. Approximately 2 kg of Amazon biomass (hardwood) and 2 kg of Araucaria biomass (softwood) were burned. Gaseous emissions of CO2, CO, and NOx and particulate matter smaller than 2.5 μm (PM2.5) were evaluated in the flaming and smoldering combustion phases. Temperature, burn rate, modified combustion efficiency, emissions factor, and particle diameter and concentration were studied. A continuous analyzer was used to quantify gas concentrations. A DataRam4 and a Cascade Impactor were used to sample PM2.5. Araucaria biomass (softwood) had a lignin content of 34.9%, higher than the 23.3% of the Amazon biomass (hardwood). CO2 and CO emissions factors seem to be influenced by lignin content. Maximum concentrations of CO2, NOx and PM2.5 were observed in the flaming phase. Copyright © 2014 Elsevier Ltd. All rights reserved.

Antarctic stratospheric chemistry of chlorine nitrate, hydrogen chloride, and ice - Release of active chlorine

NASA Technical Reports Server (NTRS)

Molina, Mario J.; Tso, Tai-Ly; Molina, Luisa T.; Wang, Frank C.-Y.

1987-01-01

The reaction rate between atmospheric hydrogen chloride (HCl) and chlorine nitrate (ClONO2) is greatly enhanced in the presence of ice particles; HCl dissolves readily into ice, and the collisional reaction probability for ClONO2 on the surface of ice with HCl in the mole fraction range from about 0.003 to 0.010 is in the range from about 0.05 to 0.1 for temperatures near 200 K. Chlorine is released into the gas phase on a time scale of at most a few milliseconds, whereas nitric acid (HNO3), the other product, remains in the condensed phase. This reaction could play an important role in explaining the observed depletion of ozone over Antarctica; it releases photolytically active chlorine from its most abundant reservoir species, and it promotes the formation of HNO3 and thus removes nitrogen dioxide from the gas phase. Hence it establishes the necessary conditions for the efficient catalytic destruction of ozone by halogenated free radicals.

Novel Desorber for Online Drilling Mud Gas Logging

PubMed Central

Lackowski, Marcin; Tobiszewski, Marek; Namieśnik, Jacek

2016-01-01

This work presents the construction solution and experimental results of a novel desorber for online drilling mud gas logging. The traditional desorbers use mechanical mixing of the liquid to stimulate transfer of hydrocarbons to the gaseous phase that is further analyzed. The presented approach is based on transfer of hydrocarbons from the liquid to the gas bubbles flowing through it and further gas analysis. The desorber was checked for gas logging from four different drilling muds collected from Polish boreholes. The results of optimization studies are also presented in this study. The comparison of the novel desorber with a commercial one reveals strong advantages of the novel one. It is characterized by much better hydrocarbons recovery efficiency and allows reaching lower limits of detection of the whole analytical system. The presented desorber seems to be very attractive alternative over widely used mechanical desorbers. PMID:27127674

Sulfonated poly(ether ether ketone)/polypyrrole core-shell nanofibers: a novel polymeric adsorbent/conducting polymer nanostructures for ultrasensitive gas sensors.

PubMed

Wang, Wei; Li, Zhenyu; Jiang, Tingting; Zhao, Zhiwei; Li, Ye; Wang, Zhaojie; Wang, Ce

2012-11-01

Conducting polymers-based gas sensors have attracted increasing research attention these years. The introduction of inorganic sensitizers (noble metals or inorganic semiconductors) within the conducting polymers-based gas sensors has been regarded as the generally effective route for further enhanced sensors. Here we demonstrate a novel route for highly-efficient conducting polymers-based gas sensors by introduction of polymeric sensitizers (polymeric adsorbent) within the conducting polymeric nanostructures to form one-dimensional polymeric adsorbent/conducting polymer core-shell nanocomposites, via electrospinning and solution-phase polymerization. The adsorption effect of the SPEEK toward NH₃ can facilitate the mass diffusion of NH₃ through the PPy layers, resulting in the enhanced sensing signals. On the basis of the SPEEK/PPy nanofibers, the sensors exhibit large gas responses, even when exposed to very low concentration of NH₃ (20 ppb) at room temperature.

The preparation of in situ doped hydrogenated amorphous silicon by homogeneous chemical vapor deposition

NASA Astrophysics Data System (ADS)

Meyerson, B. S.; Scott, B. A.; Wolford, D. J.

1983-03-01

Raman scattering, infrared absorption, conductivity measurements, electron microprobe, and secondary ion mass spectrometry (SIMS) were used to characterize boron and phosphorus doped hydrogenated amorphous silicon (a-Si:H) films prepared by Homogeneous Chemical Vapor Deposition (HOMOCVD). HOMOCVD is a thermal process which relies upon the gas phase pyrolysis of a source (silane containing up to 1.0% diborane or phosphine) to generate activated species for deposition upon a cooled substrate. Doped films prepared at 275 °C by this process were found to contain ˜12-at. % hydrogen as determined by infrared absorption. We examined dopant incorporation from the gas phase, obtaining values for a distribution coefficient CD (film dopant content/gas phase dopant concentration, atomic basis) of 0.33≤CD ≤0.63 for boron, while 0.4≤CD ≤10.75 in the limits 3.3×10-5≤PH3/SiH4≤0.004. We interpret the data as indicative of the formation of an unstable phosphorus/silicon intermediate in the gas phase, leading to the observed enhancements in CD at high gas phase phosphine content. HOMOCVD films doped at least as efficiently as their prepared counterparts, but tended to achieve higher conductivities [σ≥0.1 (Ω cm)-1 for 4.0% incorporated phosphorus] in the limit of heavy doping. Raman spectra showed no evidence of crystallinity in the doped films. Film properties (conductivity, activation energy of of conduction) have not saturated at the doping levels investigated here, making the attainment of higher ``active'' dopant levels a possibility. We attribute the observation that HOMOCVD appears more amenable to high ``active'' dopant levels than plasma techniques to the low (˜0.1 eV) thermal energy at which HOMOCVD proceeds, versus ˜10-100 eV for plasma techniques. Low substrate temperature (75 °C) doped films were prepared with initial results showing these films to dope as readily as those prepared at high temperature (T˜275 °C).

Seeds of Life in Space (SOLIS). II. Formamide in protostellar shocks: Evidence for gas-phase formation

NASA Astrophysics Data System (ADS)

Codella, C.; Ceccarelli, C.; Caselli, P.; Balucani, N.; Barone, V.; Fontani, F.; Lefloch, B.; Podio, L.; Viti, S.; Feng, S.; Bachiller, R.; Bianchi, E.; Dulieu, F.; Jiménez-Serra, I.; Holdship, J.; Neri, R.; Pineda, J. E.; Pon, A.; Sims, I.; Spezzano, S.; Vasyunin, A. I.; Alves, F.; Bizzocchi, L.; Bottinelli, S.; Caux, E.; Chacón-Tanarro, A.; Choudhury, R.; Coutens, A.; Favre, C.; Hily-Blant, P.; Kahane, C.; Jaber Al-Edhari, A.; Laas, J.; López-Sepulcre, A.; Ospina, J.; Oya, Y.; Punanova, A.; Puzzarini, C.; Quenard, D.; Rimola, A.; Sakai, N.; Skouteris, D.; Taquet, V.; Testi, L.; Theulé, P.; Ugliengo, P.; Vastel, C.; Vazart, F.; Wiesenfeld, L.; Yamamoto, S.

2017-09-01

Context. Modern versions of the Miller-Urey experiment claim that formamide (NH2CHO) could be the starting point for the formation of metabolic and genetic macromolecules. Intriguingly, formamide is indeed observed in regions forming solar-type stars and in external galaxies. Aims: How NH2CHO is formed has been a puzzle for decades: our goal is to contribute to the hotly debated question of whether formamide is mostly formed via gas-phase or grain surface chemistry. Methods: We used the NOrthern Extended Millimeter Array (NOEMA) interferometer to image NH2CHO towards the L1157-B1 blue-shifted shock, a well-known interstellar laboratory, to study how the components of dust mantles and cores released into the gas phase triggers the formation of formamide. Results: We report the first spatially resolved image (size 9″, 2300 AU) of formamide emission in a shocked region around a Sun-like protostar: the line profiles are blueshifted and have a FWHM ≃ 5 km s-1. A column density of NNH2CHO = 8 × 1012 cm-1 and an abundance, with respect to H-nuclei, of 4 × 10-9 are derived. We show a spatial segregation of formamide with respect to other organic species. Our observations, coupled with a chemical modelling analysis, indicate that the formamide observed in L1157-B1 is formed by a gas-phase chemical process and not on grain surfaces as previously suggested. Conclusions: The Seeds of Life in Space (SOLIS) interferometric observations of formamide provide direct evidence that this potentially crucial brick of life is efficiently formed in the gas phase around Sun-like protostars. The reduced datacube is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/605/L3

Theoretical Evidence for the Stronger Ability of Thymine to Disperse SWCNT than Cytosine and Adenine: self-stacking of DNA bases vs their cross-stacking with SWCNT

PubMed Central

Wang, Yixuan

2008-01-01

Self-stacking of four DNA bases, adenine (A), cytosine (C), guanine (G) and thymine (T), and their cross-stacking with (5,5) as well as (10,0) single walled carbon nanotubes (SWCNTs) were extensively investigated with a novel hybrid DFT method, MPWB1K/cc-pVDZ. The binding energies were further corrected with MP2/6-311++G(d,p) method in both gas phase and aqueous solution, where the solvent effects were included with conductor-like polarized continuum model (CPCM) model and UAHF radii. The strongest self-stacking of G and A takes displaced anti-parallel configuration, but un-displaced or “eclipsed” anti-parallel configuration is the most stable for C and T. In gas phase the self-stacking of nucleobases decreases in the sequence G>A>C>T, while because of quite different solvent effects their self-stacking in aqueous solution exhibits a distinct sequence A>G>T>C. For a given base, cross-stacking is stronger than self-stacking in both gas phase and aqueous solution. Binding energy for cross-stacking in gas phase varies as G>A>T>C for both (10,0) and (5,5) SWCNTs, and the binding of four nucleobases to (10,0) is slightly stronger than to (5,5) SWCNT by a range of 0.1–0.5 kcal/mol. The cross-stacking in aqueous solution varies differently from that gas phase: A>G>T>C for (10,0) SWCNT and G>A>T>C for (5,5) SWCNT. It is suggested that the ability of nucleobases to disperse SWCNT depends on relative strength (ΔΔEbinsol) of self-stacking and cross-stacking with SWCNT in aqueous solution. Of the four investigated nucleobases thymine (T) exhibits the highest (ΔΔEbinsol) which can well explain the experimental finding that T more efficiently functionalizes SWCNT than C and A. PMID:18946514

Heterogeneous uptake of ammonia and dimethylamine into sulfuric and oxalic acid particles

NASA Astrophysics Data System (ADS)

Sauerwein, Meike; Keung Chan, Chak

2017-05-01

Heterogeneous uptake is one of the major mechanisms governing the amounts of short-chain alkylamines and ammonia (NH3) in atmospheric particles. Molar ratios of aminium to ammonium ions detected in ambient aerosols often exceed typical gas phase ratios. The present study investigated the simultaneous uptake of dimethylamine (DMA) and NH3 into sulfuric and oxalic acid particles at gaseous DMA / NH3 molar ratios of 0.1 and 0.5 at 10, 50 and 70 % relative humidity (RH). Single-gas uptake and co-uptake were conducted under identical conditions and compared. Results show that the particulate dimethyl-aminium/ammonium molar ratios (DMAH / NH4) changed substantially during the uptake process, which was severely influenced by the extent of neutralisation and the particle phase state. In general, DMA uptake and NH3 uptake into concentrated H2SO4 droplets were initially similarly efficient, yielding DMAH / NH4 ratios that were similar to DMA / NH3 ratios. As the co-uptake continued, the DMAH / NH4 gradually dropped due to a preferential uptake of NH3 into partially neutralised acidic droplets. At 50 % RH, once the sulfate droplets were neutralised, the stronger base DMA displaced some of the ammonium absorbed earlier, leading to DMAH / NH4 ratios up to four times higher than the corresponding gas phase ratios. However, at 10 % RH, crystallisation of partially neutralised sulfate particles prevented further DMA uptake, while NH3 uptake continued and displaced DMAH+, forming almost pure ammonium sulfate. Displacement of DMAH+ by NH3 has also been observed in neutralised, solid oxalate particles. The results can explain why DMAH / NH4 ratios in ambient liquid aerosols can be larger than DMA / NH3, despite an excess of NH3 in the gas phase. An uptake of DMA to aerosols consisting of crystalline ammonium salts, however, is unlikely, even at comparable DMA and NH3 gas phase concentrations.

Two-phase thermodynamic model for computing entropies of liquids reanalyzed

NASA Astrophysics Data System (ADS)

Sun, Tao; Xian, Jiawei; Zhang, Huai; Zhang, Zhigang; Zhang, Yigang

2017-11-01

The two-phase thermodynamic (2PT) model [S.-T. Lin et al., J. Chem. Phys. 119, 11792-11805 (2003)] provides a promising paradigm to efficiently determine the ionic entropies of liquids from molecular dynamics. In this model, the vibrational density of states (VDoS) of a liquid is decomposed into a diffusive gas-like component and a vibrational solid-like component. By treating the diffusive component as hard sphere (HS) gas and the vibrational component as harmonic oscillators, the ionic entropy of the liquid is determined. Here we examine three issues crucial for practical implementations of the 2PT model: (i) the mismatch between the VDoS of the liquid system and that of the HS gas; (ii) the excess entropy of the HS gas; (iii) the partition of the gas-like and solid-like components. Some of these issues have not been addressed before, yet they profoundly change the entropy predicted from the model. Based on these findings, a revised 2PT formalism is proposed and successfully tested in systems with Lennard-Jones potentials as well as many-atom potentials of liquid metals. Aside from being capable of performing quick entropy estimations for a wide range of systems, the formalism also supports fine-tuning to accurately determine entropies at specific thermal states.

Absolute ion detection efficiencies of microchannel plates and funnel microchannel plates for multi-coincidence detection

NASA Astrophysics Data System (ADS)

Fehre, K.; Trojanowskaja, D.; Gatzke, J.; Kunitski, M.; Trinter, F.; Zeller, S.; Schmidt, L. Ph. H.; Stohner, J.; Berger, R.; Czasch, A.; Jagutzki, O.; Jahnke, T.; Dörner, R.; Schöffler, M. S.

2018-04-01

Modern momentum imaging techniques allow for the investigation of complex molecules in the gas phase by detection of several fragment ions in coincidence. For these studies, it is of great importance that the single-particle detection efficiency ɛ is as high as possible, as the overall efficiency scales with ɛn, i.e., the power of the number of detected particles. Here we present measured absolute detection efficiencies for protons of several micro-channel plates (MCPs), including efficiency enhanced "funnel MCPs." Furthermore, the relative detection efficiency for two-, three-, four-, and five-body fragmentation of CHBrClF has been examined. The "funnel" MCPs exhibit an efficiency of approximately 90%, gaining a factor of 24 (as compared to "normal" MCPs) in the case of a five-fold ion coincidence detection.

Photodissociation of Non-Covalent Peptide-Crown Ether Complexes

PubMed Central

Wilson, Jeffrey J.; Kirkovits, Gregory J.; Sessler, Jonathan L.; Brodbelt, Jennifer S.

2008-01-01

Highly chromogenic 18-crown-6-dipyrrolylquinoxaline coordinates primary amines of peptides, forming non-covalent complexes that can be transferred to the gas phase by electrospray ionization. The appended chromogenic crown ether facilitates efficient energy transfer to the peptide upon ultraviolet irradiation in the gas phase, resulting in diagnostic peptide fragmentation. Collisional activated dissociation (CAD) and infrared multiphoton dissociation (IRMPD) of these non-covalent complexes results only in their disassembly with the charge retained on either the peptide or crown ether, yielding no sequence ions. Upon UV photon absorption the intermolecular energy transfer is facilitated by the fast activation time scale of UVPD (< 10 ns) and by the collectively strong hydrogen bonding between the crown ether and peptide, thus allowing effective transfer of energy to the peptide moiety prior to disruption of the intermolecular hydrogen bonds. PMID:18077179

CF3+ fragmentation by electron impact ionization of perfluoro-propyl-vinyl-ethers, C5F10O, in gas phase

NASA Astrophysics Data System (ADS)

Kondo, Yusuke; Ishikawa, Kenji; Hayashi, Toshio; Miyawaki, Yudai; Takeda, Keigo; Kondo, Hiroki; Sekine, Makoto; Hori, Masaru

2015-04-01

The gas phase fragmentations of perfluoro-propyl-vinyl ether (PPVE, C5F10O) are studied experimentally. Dominant fragmentations of PPVE are found to be the result of a dissociative ionization reaction, i.e., CF3+ via direct bond cleavage, and C2F3O- and C3F7O- via electron attachment. Regardless of the appearance energy of around 14.5 eV for the dissociative ionization of CF3+, the observed ion efficiency for the CF3+ ion was extremely large the order of 10-20 cm-2, compared with only 10-21 cm-2 for the other channels. PPVE characteristically generated CF3+ as the largest abundant ion are advantageous for use of feedstock gases in plasma etching processes.

Use of hydraulic head to estimate volumetric gas content and ebullition flux in northern peatlands

USGS Publications Warehouse

Rosenberry, Donald O.; Glaser, Paul H.; Siegel, Donald I.; Weeks, Edwin P.

2003-01-01

Hydraulic head was overpressured at middepth in a 4.2‐m thick raised bog in the Glacial Lake Agassiz peatlands of northern Minnesota, and fluctuated in response to atmospheric pressure. Barometric efficiency (BE), determined by calculating ratios of change in hydraulic head to change in atmospheric pressure, ranged from 0.05 to 0.15 during July through November of both 1997 and 1998. The overpressuring and a BE response were caused by free‐phase gas contained primarily in the center of the peat column between two or more semielastic, semiconfining layers of more competent peat. Two methods were used to determine the volume of gas bubbles contained in the peat, one using the degree of overpressuring in the middepth of the peat, and the other relating BE to specific yield of the shallow peat. The volume of gas calculated from the overpressuring method averaged 9%, assuming that the gas was distributed over a 2‐m thick overpressured interval. The volume of gas using the BE method averaged 13%. Temporal changes in overpressuring and in BE indicate that the volume of gaseous‐phase gas also changed with time, most likely because of rapid degassing (ebullition) that allowed sudden loss of gas to the atmosphere. Estimates of gas released during the largest ebullition events ranged from 0.3 to 0.7 mol m−2 d−1. These ebullition events may contribute a significant source of methane and carbon dioxide to the atmosphere that has so far largely gone unmeasured by gas‐flux chambers or tower‐mounted sensors.

Sensitive gas analysis system on a microchip and application for on-site monitoring of NH3 in a clean room.

PubMed

Hiki, Shinichiro; Mawatari, Kazuma; Aota, Arata; Saito, Maki; Kitamori, Takehiko

2011-06-15

A portable, highly sensitive, and continuous ammonia gas monitoring system was developed with a microfluidic chip. The system consists of a main unit, a gas pumping unit, and a computer which serves as an operation console. The size of the system is 45 cm width × 30 cm depth × 30 cm height, and the portable system was realized. A highly efficient and stable extraction method was developed by utilizing an annular gas/liquid laminar flow. In addition, a stable gas/liquid separation method with a PTFE membrane was developed by arranging a fluidic network in three dimensions to achieve almost zero dead volume at the gas/liquid extraction part. The extraction rate was almost 100% with a liquid flow rate of 3.5 μL/min and a gas flow rate of 100 mL/min (contact time of ~15 ms), and the concentration factor was 200 times by calculating the NH(3) concentration (w/w unit) in the gas and liquid phases. Stable phase separation and detection was sustained for more than 3 weeks in an automated operation, which was sufficient for the monitoring application. The lower limit of detection calculated based on a signal-to-noise ratio of 3 was 84 ppt, which showed good detectability for NH(3) analysis. We believe that our system is a very powerful tool for gas analysis due to the advantages of portable size, high sensitivity, and continuous monitoring, and it is particularly useful in the semiconductor field.

Numerical parametric studies of spray combustion instability

NASA Technical Reports Server (NTRS)

Pindera, M. Z.

1993-01-01

A coupled numerical algorithm has been developed for studies of combustion instabilities in spray-driven liquid rocket engines. The model couples gas and liquid phase physics using the method of fractional steps. Also introduced is a novel, efficient methodology for accounting for spray formation through direct solution of liquid phase equations. Preliminary parametric studies show marked sensitivity of spray penetration and geometry to droplet diameter, considerations of liquid core, and acoustic interactions. Less sensitivity was shown to the combustion model type although more rigorous (multi-step) formulations may be needed for the differences to become apparent.

A cylindrical quadrupole ion trap in combination with an electrospray ion source for gas-phase luminescence and absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stockett, Mark H., E-mail: stockett@phys.au.dk; Houmøller, Jørgen; Støchkel, Kristian

2016-05-15

A relatively simple setup for collection and detection of light emitted from isolated photo-excited molecular ions has been constructed. It benefits from a high collection efficiency of photons, which is accomplished by using a cylindrical ion trap where one end-cap electrode is a mesh grid combined with an aspheric condenser lens. The geometry permits nearly 10% of the emitted light to be collected and, after transmission losses, approximately 5% to be delivered to the entrance of a grating spectrometer equipped with a detector array. The high collection efficiency enables the use of pulsed tunable lasers with low repetition rates (e.g.,more » 20 Hz) instead of continuous wave (cw) lasers or very high repetition rate (e.g., MHz) lasers that are typically used as light sources for gas-phase fluorescence experiments on molecular ions. A hole has been drilled in the cylinder electrode so that a light pulse can interact with the ion cloud in the center of the trap. Simulations indicate that these modifications to the trap do not significantly affect the storage capability and the overall shape of the ion cloud. The overlap between the ion cloud and the laser light is basically 100%, and experimentally >50% of negatively charged chromophore ions are routinely photodepleted. The performance of the setup is illustrated based on fluorescence spectra of several laser dyes, and the quality of these spectra is comparable to those reported by other groups. Finally, by replacing the optical system with a channeltron detector, we demonstrate that the setup can also be used for gas-phase action spectroscopy where either depletion or fragmentation is monitored to provide an indirect measurement on the absorption spectrum of the ion.« less

Kinetics and the mass transfer mechanism of hydrogen sulfide removal by biochar derived from rice hull.

PubMed

Shang, Guofeng; Liu, Liang; Chen, Ping; Shen, Guoqing; Li, Qiwu

2016-05-01

The biochar derived from rice hull was evaluated for its abilities to remove hydrogen sulfide (H2S) from gas phase. The surface area and pH of the biochar were compared. The biochar derived from rice hull was evaluated for its abilities to remove hydrogen sulfide (H2S) from gas phase. The surface area and pH of the biochar were compared. The different pyrolysis temperature has great influence on the adsorption of H2S. At the different pyrolysis temperature, the H2S removal efficiency of rice hull-derived biochar was different. The adsorption capacities of biochar were 2.09 mg·g(-1), 2.65 mg·g(-1), 16.30 mg·g(-1), 20.80 mg·g(-1), and 382.70 mg·g(-1), which their pyrolysis temperatures were 100 °C, 200 °C, 300 °C, 400 °C and 500 °C respectively. Based on the Yoon-Nelson model, it analyzed the mass transfer mechanism of hydrogen sulfide adsorption by biochar. The paper focuses on the biochar derived from rice hull-removed hydrogen sulfide (H2S) from gas phase. The surface area and pH of the biochar were compared. The different pyrolysis temperatures have great influence on the adsorption of H2S. At the different pyrolysis temperatures, the H2S removal efficiency of rice hull-derived biohar was different. The adsorption capacities of biochar were 2.09, 2.65, 16.30, 20.80, and 382.70 mg·g(-1), and their pyrolysis temperatures were 100, 200, 300, 400, and 500 °C, respectively. Based on the Yoon-Nelson model, the mass transfer mechanism of hydrogen sulfide adsorption by biochar was analyzed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jiang; Malmirchegini, G. Reza; Clubb, Robert T.

Native mass spectrometry (MS) has become an invaluable tool for the characterization of proteins and non-covalent protein complexes under near physiological solution conditions. Here we report the structural characterization of human hemoglobin (Hb), a 64 kDa oxygen-transporting protein complex, by high resolution native top-down mass spectrometry using electrospray ionization (ESI) and a 15-Tesla Fourier transform ion cyclotron resonance (FTICR) mass spectrometer. Native MS preserves the non-covalent interactions between the globin subunits, and electron capture dissociation (ECD) produces fragments directly from the intact Hb complex without dissociating the subunits. Using activated ion ECD, we observe the gradual unfolding process of themore » Hb complex in the gas phase. Without protein ion activation, the native Hb shows very limited ECD fragmentation from the N-termini, suggesting a tightly packed structure of the native complex and therefore low fragmentation efficiency. Precursor ion activation allows steady increase of N-terminal fragment ions, while the C-terminal fragments remain limited (38 c ions and 4 z ions on the α chain; 36 c ions and 2 z ions on the β chain). This ECD fragmentation pattern suggests that upon activation, the Hb complex starts to unfold from the N-termini of both subunits, whereas the C-terminal regions and therefore the potential regions involved in the subunit binding interactions remain intact. ECD-MS of the Hb dimer show similar fragmentation patterns as the Hb tetramer, providing further evidence for the hypothesized unfolding process of the Hb complex in the gas phase. Native top-down ECD-MS allows efficient probing of the Hb complex structure and the subunit binding interactions in the gas phase. Finally, it may provide a fast and effective means to probe the structure of novel protein complexes that are intractable to traditional structural characterization tools.« less

A cylindrical quadrupole ion trap in combination with an electrospray ion source for gas-phase luminescence and absorption spectroscopy.

PubMed

Stockett, Mark H; Houmøller, Jørgen; Støchkel, Kristian; Svendsen, Annette; Brøndsted Nielsen, Steen

2016-05-01

A relatively simple setup for collection and detection of light emitted from isolated photo-excited molecular ions has been constructed. It benefits from a high collection efficiency of photons, which is accomplished by using a cylindrical ion trap where one end-cap electrode is a mesh grid combined with an aspheric condenser lens. The geometry permits nearly 10% of the emitted light to be collected and, after transmission losses, approximately 5% to be delivered to the entrance of a grating spectrometer equipped with a detector array. The high collection efficiency enables the use of pulsed tunable lasers with low repetition rates (e.g., 20 Hz) instead of continuous wave (cw) lasers or very high repetition rate (e.g., MHz) lasers that are typically used as light sources for gas-phase fluorescence experiments on molecular ions. A hole has been drilled in the cylinder electrode so that a light pulse can interact with the ion cloud in the center of the trap. Simulations indicate that these modifications to the trap do not significantly affect the storage capability and the overall shape of the ion cloud. The overlap between the ion cloud and the laser light is basically 100%, and experimentally >50% of negatively charged chromophore ions are routinely photodepleted. The performance of the setup is illustrated based on fluorescence spectra of several laser dyes, and the quality of these spectra is comparable to those reported by other groups. Finally, by replacing the optical system with a channeltron detector, we demonstrate that the setup can also be used for gas-phase action spectroscopy where either depletion or fragmentation is monitored to provide an indirect measurement on the absorption spectrum of the ion.

Waveforms for optimal sub-keV high-order harmonics with synthesized two- or three-colour laser fields.

PubMed

Jin, Cheng; Wang, Guoli; Wei, Hui; Le, Anh-Thu; Lin, C D

2014-05-30

High-order harmonics extending to the X-ray region generated in a gas medium by intense lasers offer the potential for providing tabletop broadband light sources but so far are limited by their low conversion efficiency. Here we show that harmonics can be enhanced by one to two orders of magnitude without an increase in the total laser power if the laser's waveform is optimized by synthesizing two- or three-colour fields. The harmonics thus generated are also favourably phase-matched so that radiation is efficiently built up in the gas medium. Our results, combined with the emerging intense high-repetition MHz lasers, promise to increase harmonic yields by several orders to make harmonics feasible in the near future as general bright tabletop light sources, including intense attosecond pulses.

Combined Cycle Power Generation Employing Pressure Gain Combustion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holley, Adam

The Phase I program assessed the potential benefit of applying pressure gain combustion (PGC) technology to a natural gas combined cycle power plant. A conceptual design of the PGC integrated gas turbine was generated which was simulated in a detailed system modeling tool. The PGC integrated system was 1.93% more efficient, produced 3.09% more power, and reduced COE by 0.58%. Since the PGC system used had the same fuel flow rate as the baseline system, it also reduced CO 2 emissions by 3.09%. The PGC system did produce more NOx than standard systems, but even with the performanceand cost penaltiesmore » associated with the cleanup system it is better in every measure. This technology benefits all of DOE’s stated program goals to improve plant efficiency, reduce CO 2 production, and reduce COE.« less

A high-efficiency regime for gas-phase terahertz lasers.

PubMed

Wang, Fan; Lee, Jeongwon; Phillips, Dane J; Holliday, Samuel G; Chua, Song-Liang; Bravo-Abad, Jorge; Joannopoulos, John D; Soljačić, Marin; Johnson, Steven G; Everitt, Henry O

2018-06-11

We present both an innovative theoretical model and an experimental validation of a molecular gas optically pumped far-infrared (OPFIR) laser at 0.25 THz that exhibits 10× greater efficiency (39% of the Manley-Rowe limit) and 1,000× smaller volume than comparable commercial lasers. Unlike previous OPFIR-laser models involving only a few energy levels that failed even qualitatively to match experiments at high pressures, our ab initio theory matches experiments quantitatively, within experimental uncertainties with no free parameters, by accurately capturing the interplay of millions of degrees of freedom in the laser. We show that previous OPFIR lasers were inefficient simply by being too large and that high powers favor high pressures and small cavities. We believe that these results will revive interest in OPFIR laser as a powerful and compact source of terahertz radiation.

Development and evaluation of a gas chromatographic method for the determination of triazine herbicides in natural water samples

USGS Publications Warehouse

Steinheimer, T.R.; Brooks, M.G.

1984-01-01

A multi-residue method is described for the determination of triazine herbicides in natural water samples. The technique uses solvent extraction followed by gas chromatographic separation and detection employing nitrogen-selective devices. Seven compounds can be determined simultaneously at a nominal detection limit of 0.1 ??g/L in a 1-litre sample. Three different natural water samples were used for error analysis via evaluation of recovery efficiencies and estimation of overall method precision. As an alternative to liquid-liquid partition (solvent extraction) for removal of compounds of interest from water, solid-phase extraction (SPE) techniques employing chromatographic grade silicas with chemically modified surfaces have been examined. SPE is found to provide rapid and efficient concentration with quantitative recovery of some triazine herbicides from natural water samples. Concentration factors of 500 to 1000 times are obtained readily by the SPE technique.A multi-residue method is described for the determination of triazine herbicides in natural water samples. The technique uses solvent extraction followed by gas chromatographic separation and detection employing nitrogen-selective devices. Seven compounds can be determined simultaneously at a nominal detection limit of 0. 1 mu g/L in a 1-litre sample. As an alternative to liquid-liquid partition (solvent extraction) for removal of compounds of interest from water, solid-phase extraction (SPE) techniques employing chromatographic grade silicas with chemically modified surfaces have been examined. SPE is found to provide rapid and efficient concentration with quantitative recovery of some triazine herbicides from natural water samples. Concentration factors of 500 to 1000 times are obtained readily by the SPE technique.

[Domestication study about desulfuration microorganism from oxidation ditch by low concentration SO2].

PubMed

Huang, Bing; Shi, Zhe; Wang, Yan-Yan; Zhang, Shi-Ling

2010-06-01

An excellent desulfuration microorganism with a quick growth and propagation, high activation, high efficiency of removing SO2 is obtained from oxidation ditch of a city sewage treatment plant by inductive acclimatization over 6 d with low concentration SO2 gas (100-2 000 mg/m3). The desulfurition microorganism get their energy sources for growth from transforming SO2 (SO3(2-)) to SO4(2-). The predominant bacterium of the desulfuration microorganism has the same characteristic with Thiobacillus ferrooxidans (T. ferrooxidans), which showed that it was Gram negative, short rod bacteria with a single polar flagellum under a microscopic examination, and obtained its nourishment through the oxidation of inorganic compounds. The technology process condition of domestication and desulfuration of microorganism are particular studied, and the results showed that aerating time, SO2 flux and time to provide nutriment contained N, P, K to microorganism were very important. They have an ability with degradation rate of 160g/ (m3 x h) and degradation efficiency over 50% to transform sulfite to sulfate in liquid phase. The bacteria have a 98% of removing efficiency and over 80% of biodegradation efficiency for the 5 500 mg/m3 SO2 gas and the outlet concentration of SO2 is lower than 100 mg/m3, and also have a 95% of removing efficiency for 15 000 mg/m3 SO2 gas in the packed tower reactor with Raschig ring at 3s contact time.

New singlet oxygen generator for chemical oxygen-iodine lasers

NASA Astrophysics Data System (ADS)

Yoshida, S.; Saito, H.; Fujioka, T.; Yamakoshi, H.; Uchiyama, T.

1986-11-01

Experiments have been carried out to investigate a new method for generating O2(1Delta) with long-time operation of an efficient chemical oxygen-iodine laser system in mind. An impinging-jet nozzle was utilized to atomize a H2O2-KOH solution so that the alkaline H2O2/Cl2 reaction might occur in droplet-gas phase with high excitation efficiency. Experimental results indicate that the present generator can yield as high as 80 percent of O2(1Delta) with reasonable O2 flow rate.

Near-Blackbody Enclosed Particle-Receiver Development

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Zhiwen; Sakadjian, Bartev

2015-12-01

This 3-year project develops a technology using gas/solid, two-phase flow as a heat-transfer fluid and separated, stable, solid particles as a thermal energy storage (TES) medium for a concentrating solar power (CSP) plant, to address the temperature, efficiency, and cost barriers associated with current molten-salt CSP systems. This project focused on developing a near-blackbody particle receiver and an integrated fluidized-bed heat exchanger with auxiliary components to achieve greater than 20% cost reduction over current CSP plants, and to provide the ability to drive high-efficiency power cycles.

A feasibility study on the bioconversion of CO2 and H2 to biomethane by gas sparging through polymeric membranes.

PubMed

Díaz, I; Pérez, C; Alfaro, N; Fdz-Polanco, F

2015-06-01

In this study, the potential of a pilot hollow-fiber membrane bioreactor for the conversion of H2 and CO2 to CH4 was evaluated. The system transformed 95% of H2 and CO2 fed at a maximum loading rate of 40.2 [Formula: see text] and produced 0.22m(3) of CH4 per m(3) of H2 fed at thermophilic conditions. H2 mass transfer to the liquid phase was identified as the limiting step for the conversion, and kLa values of 430h(-1) were reached in the bioreactor by sparging gas through the membrane module. A simulation showed that the bioreactor could upgrade biogas at a rate of 25m(3)/mR(3)d, increasing the CH4 concentration from 60 to 95%v. This proof-of-concept study verified that gas sparging through a membrane module can efficiently transfer H2 from gas to liquid phase and that the conversion of H2 and CO2 to biomethane is feasible on a pilot scale at noteworthy load rates. Copyright © 2015 Elsevier Ltd. All rights reserved.

DESTRUCTION OF TETRAPHENYLBORATE IN TANK 48H USING WET AIR OXIDATION BATCH BENCH SCALE AUTOCLAVE TESTING WITH ACTUAL RADIOACTIVE TANK 48H WASTE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adu-Wusu, K; Paul Burket, P

2009-03-31

Wet Air Oxidation (WAO) is one of the two technologies being considered for the destruction of Tetraphenylborate (TPB) in Tank 48H. Batch bench-scale autoclave testing with radioactive (actual) Tank 48H waste is among the tests required in the WAO Technology Maturation Plan. The goal of the autoclave testing is to validate that the simulant being used for extensive WAO vendor testing adequately represents the Tank 48H waste. The test objective was to demonstrate comparable test results when running simulated waste and real waste under similar test conditions. Specifically: (1) Confirm the TPB destruction efficiency and rate (same reaction times) obtainedmore » from comparable simulant tests, (2) Determine the destruction efficiency of other organics including biphenyl, (3) Identify and quantify the reaction byproducts, and (4) Determine off-gas composition. Batch bench-scale stirred autoclave tests were conducted with simulated and actual Tank 48H wastes at SRNL. Experimental conditions were chosen based on continuous-flow pilot-scale simulant testing performed at Siemens Water Technologies Corporation (SWT) in Rothschild, Wisconsin. The following items were demonstrated as a result of this testing. (1) Tetraphenylborate was destroyed to below detection limits during the 1-hour reaction time at 280 C. Destruction efficiency of TPB was > 99.997%. (2) Other organics (TPB associated compounds), except biphenyl, were destroyed to below their respective detection limits. Biphenyl was partially destroyed in the process, mainly due to its propensity to reside in the vapor phase during the WAO reaction. Biphenyl is expected to be removed in the gas phase during the actual process, which is a continuous-flow system. (3) Reaction byproducts, remnants of MST, and the PUREX sludge, were characterized in this work. Radioactive species, such as Pu, Sr-90 and Cs-137 were quantified in the filtrate and slurry samples. Notably, Cs-137, boron and potassium were shown as soluble as a result of the WAO reaction. (4) Off-gas composition was measured in the resulting gas phase from the reaction. Benzene and hydrogen were formed during the reaction, but they were reasonably low in the off-gas at 0.096 and 0.0063 vol% respectively. Considering the consistency in replicating similar test results with simulated waste and Tank 48H waste under similar test conditions, the results confirm the validity of the simulant for other WAO test conditions.« less

Online characterization of isomeric/isobaric components in the gas phase of mainstream cigarette smoke by tunable synchrotron radiation vacuum ultraviolet photoionization time-of-flight mass spectrometry and photoionization efficiency curve simulation.

PubMed

Pan, Yang; Hu, Yonghua; Wang, Jian; Ye, Lili; Liu, Chengyuan; Zhu, Zhixiang

2013-12-17

A newly developed, qualitative and quantitative method based on tunable synchrotron radiation vacuum ultraviolet photoionization time-of-flight mass spectrometry (SR-VUV-PI-TOFMS) and photoionization efficiency (PIE) curve simulation was applied for the online analysis of isomers and isobaric compounds in the gas phase of mainstream cigarette smoke. After blocking the particulate phase components by the Cambridge filter pad, a puff of fresh gas-phase cigarette smoke was immediately introduced into a vacuum ionization chamber through a heated capillary, then was photoionized, and analyzed by a TOF mass spectrometer. The PIE curves for the mass peaks up to m/z = 106 were measured between 8.0 and 10.7 eV. Some components could be directly identified by their discriminated ionization energies (IEs) on the PIE curve. By simulating the PIE curve with the sum of scaled absolute photoionization cross sections (PICSs), complex isomeric/isobaric compounds along with their mole fractions could be obtained when the best-fitting was realized between experimental and simulated PIE curves. A series of reported toxic compounds for quantification, such as 1,3-butadiene (m/z = 54), 1,3-cyclopentadiene (m/z = 66), benzene (m/z = 78), xylene (m/z = 106), 2-propenal (m/z = 56), acetone and propanal (m/z = 58), crotonaldehyde (m/z = 70), furan and isoprene (m/z = 68), were all found to have other isomers and/or isobaric compounds with considerable abundances. Some isomers have never been reported previously in cigarette smoke, like C5H6 isomers 1-penten-3-yne, 3-penten-1-yne, and 1-penten-4-yne at m/z = 66. Isomeric/isobaric compounds characterization for the mass peaks and mole fraction calculations were discussed in detail below 10.7 eV, an energy value covering several conventional used VUV light sources.

Removal of hazardous gaseous pollutants from industrial flue gases by a novel multi-stage fluidized bed desulfurizer.

PubMed

Mohanty, C R; Adapala, Sivaji; Meikap, B C

2009-06-15

Sulfur dioxide and other sulfur compounds are generated as primary pollutants from the major industries such as sulfuric acid plants, cupper smelters, catalytic cracking units, etc. and cause acid rain. To remove the SO(2) from waste flue gas a three-stage counter-current multi-stage fluidized bed adsorber was developed as desulfurization equipment and operated in continuous bubbling fluidization regime for the two-phase system. This paper represents the desulfurization of gas mixtures by chemical sorption of sulfur dioxide on porous granular calcium oxide particles in the reactor at ambient temperature. The advantages of the multi-stage fluidized bed reactor are of high mass transfer and high gas-solid residence time that can enhance the removal of acid gas at low temperature by dry method. Experiments were carried out in the bubbling fluidization regime supported by visual observation. The effects of the operating parameters such as sorbent (lime) flow rate, superficial gas velocity, and the weir height on SO(2) removal efficiency in the multistage fluidized bed are reported. The results have indicated that the removal efficiency of the sulfur dioxide was found to be 65% at high solid flow rate (2.0 kg/h) corresponding to lower gas velocity (0.265 m/s), wier height of 70 mm and SO(2) concentration of 500 ppm at room temperature.

Enhanced elemental mercury removal from coal-fired flue gas by sulfur-chlorine compounds.

PubMed

Yan, Nai-Qiang; Qu, Zan; Chi, Yao; Qiao, Shao-Hua; Dod, Ray L; Chang, Shih-Ger; Miller, Charles

2009-07-15

Oxidation of Hg(0) with any oxidant or converting itto a particle-bound form can facilitate its removal. Two sulfur-chlorine compounds, sulfur dichloride (SCl2) and sulfur monochloride (S2Cl2), were investigated as oxidants for Hg(0) by gas-phase reaction and by surface-involved reactions in the presence of flyash or activated carbon. The gas-phase reaction between Hg(0) and SCl2 is shown to be more rapid than the gas-phase reaction with chlorine, and the second order rate constant was 9.1 (+/- 0.5) x 10(-18) mL-molecules(-1) x s(-1) at 373 K. The presence of flyash or powdered activated carbon in flue gas can substantially accelerate the reaction. The predicted Hg(0) removal is about 90% with 5 ppm SCl2 or S2Cl2 and 40 g/m3 of flyash in flue gas. The combination of activated carbon and sulfur-chlorine compounds is an effective alternative. We estimate that coinjection of 3-5 ppm of SCl2 (or S2Cl2) with 2-3 Lb/MMacf of untreated Darco-KB is comparable in efficiency to the injection of 2-3 Lb/MMacf Darco-Hg-LH. Extrapolation of kinetic results also indicates that 90% of Hg(0) can be removed if 3 Lb/MMacf of Darco-KB pretreated with 3% of SCl2 or S2Cl2 is used. Mercuric sulfide was identified as one of the principal products of the Hg(0)/SCl2 or Hg(0)/S2Cl2 reactions. Additionally, about 8% of SCl2 or S2Cl2 in aqueous solutions is converted to sulfide ions, which would precipitate mercuric ion from FGD solution.

An interactive computer code for calculation of gas-phase chemical equilibrium (EQLBRM)

NASA Technical Reports Server (NTRS)

Pratt, B. S.; Pratt, D. T.

1984-01-01

A user friendly, menu driven, interactive computer program known as EQLBRM which calculates the adiabatic equilibrium temperature and product composition resulting from the combustion of hydrocarbon fuels with air, at specified constant pressure and enthalpy is discussed. The program is developed primarily as an instructional tool to be run on small computers to allow the user to economically and efficiency explore the effects of varying fuel type, air/fuel ratio, inlet air and/or fuel temperature, and operating pressure on the performance of continuous combustion devices such as gas turbine combustors, Stirling engine burners, and power generation furnaces.

Evaluation of auxiliary power subsystems for gas engine heat pumps, phase 2

NASA Astrophysics Data System (ADS)

Rasmussen, R. W.; Wahlstedt, D. A.; Planer, N.; Fink, J.; Persson, E.

1988-12-01

The need to determine the practical, technical and economic viability for a stand-alone Gas Engine Heat Pump (GEHP) system capable of generating its own needed electricity is addressed. Thirty-eight reasonable design configurations were conceived based upon small-sized power conversion equipment that is either commercially available or close to emerging on the market. Nine of these configurations were analyzed due to their potential for low first cost, high conversion efficiency, availability or simplicity. It was found that electric consumption can be reduced by over 60 percent through the implementation of high efficiency, brushless, permanent magnet motors as fan and pump drivers. Of the nine selected configurations employing variable-speed fans, two were found to have simple incremental payback periods of 4.2 to 16 years, depending on the U.S. city chosen for analysis. Although the auxiliary power subsystem option is only marginally attractive from an economic standpoint, the increased gas load provided to the local gas utility may be sufficient to encourage further development. The ability of the system to operate completely disconnected from the electric power source may be a feature of high merit.

Degradation mechanisms of 4-chlorophenol in a novel gas-liquid hybrid discharge reactor by pulsed high voltage system with oxygen or nitrogen bubbling.

PubMed

Zhang, Yi; Zhou, Minghua; Hao, Xiaolong; Lei, Lecheng

2007-03-01

The effect of gas bubbling on the removal efficiency of 4-chlorophenol (4-CP) in aqueous solution has been investigated using a novel pulsed high voltage gas-liquid hybrid discharge reactor, which generates gas-phase discharge above the water surface simultaneously with the spark discharge directly in the liquid. The time for 100% of 4-CP degradation in the case of oxygen bubbling (7 min) was much shorter than that in the case of nitrogen bubbling (25 min) as plenty of hydrogen peroxide and ozone formed in oxygen atmosphere enhanced the removal efficiency of 4-CP. Except for the main similar intermediates (4-chlorocatechol, hydroquinone and 1,4-benzoquinone) produced in the both cases of oxygen and nitrogen bubbling, special intermediates (5-chloro-3-nitropyrocatechol, 4-chloro-2-nitrophenol, nitrate and nitrite ions) were produced in nitrogen atmosphere. The reaction pathway of 4-CP in the case of oxygen bubbling was oxygen/ozone attack on the radical hydroxylated derivatives of 4-CP. However, in the case of nitrogen bubbling, hydroxylation was the main reaction pathway with effect of N atom on degradation of 4-CP.

A novel crack healing in steels by gas nitrocarburizing

NASA Astrophysics Data System (ADS)

Li, Ai; Chen, Xing; Zhang, Chengsong; Cui, Guodong; Zhao, Hui; Yang, Chuan

2018-06-01

In this paper, the gas nitrocarburizing technique was applied for the first time to solve the challenge in crack healing of metallic materials. The crack-healing behavior of 42CrMo steel was investigated. The gas nitrocarburizing was carried out in two steps with the decrease of the healing temperature. The mechanical properties after healing were measured using the three-point blending test. X-ray diffraction, optical microscope and scanning electron microscopy were applied to characterize the phase composition and microstructure of crack healing area and analyze healing mechanisms involved. The results show that the optimal healing effect could be obtained when it is healed at 760 °C for 2 h and then at 550 °C for 4 h. The maximum healing degree reached to 63.68%. The crack healing process could be divided into two stages, i.e. healing in crack tips at high temperatures and then in crack openings at low temperatures. The volumetric expansion and filling of formed nitrides contributed to the rapid healing of the large-sized cracks. The healing efficiency could be improved by decreasing the healing temperature. Moreover, high pressure gas nitrocarburizing was considered as another potential way to improve the healing efficiency and healing degree.

Method for Predicting Hypergolic Mixture Flammability Limits

DTIC Science & Technology

2017-02-01

liquid phase, in the gas phase, at the liquid / liquid interface and at the gas / liquid interface during hypergolic ignition and the interactions...of what happens in the liquid phase, in the gas phase, at the liquid / liquid interface and at the gas / liquid interface during hypergolic ignition...and the interactions of all these phases. The ignition happens in the gas -phase but products formed here and there (in the liquid phase or at

UV and VUV spectroscopy and photochemistry of small molecules in a supersonic jet

NASA Technical Reports Server (NTRS)

Ruehl, E.; Vaida, V.

1990-01-01

UV and VUV absorption and emission spectroscopy is used to probe jet cooled molecules, free radicals, and clusters in the gas phase. Due to efficient cooling inhomogeneous effects on spectral line widths are eliminated. Therefore from these spectra, both structural and dynamical information is obtained. The photoproducts of these reactions are probed by resonance enhanced multiphoton ionization.

Pilot plant experience on anaerobic codigestion of source selected OFMSW and sewage sludge.

PubMed

Cabbai, Valentina; De Bortoli, Nicola; Goi, Daniele

2016-03-01

Anaerobic codigestion of source selected organic fraction of municipal solid waste (SS-OFMSW) and sewage sludge may be one of the most viable solutions to optimize oversized digesters efficiency in wastewater treatment plants. Based on results of BMP tests obtained for sewage sludge and SS-OFMSW, pilot plant tests were carried out by 3.4 m(3) CSTR reactor at mesophilic temperature. A mix of fruit and vegetable waste from wholesale market and canteen waste was used as SS-OFMSW substrate. Tests were conducted applying an OLR (organic loading rate) ramp with 6 different phases until a value of 3.2 kgVS/m(3) d. Feedstock and digestate characteristics, efficiency and process parameters were monitored. The anaerobic codigestion development was stable in each phase: early indicators like VFA (volatile fatty acids) and FOS/TAC ratio were always below instability threshold values. The maximum OLR tested determined a GPR (gas production rate) of 0.95 N m(3)/m(3) d and SGP (specific gas production) of 0.49 N m(3)/kgVS with a VS abatement of 67.3%. Copyright © 2015 Elsevier Ltd. All rights reserved.

Removal of toluene in a vapor-phase bioreactor containing a strain of the dimorphic black yeast Exophiala lecanii-corni.

PubMed

Woertz, J R; Kinney, K A; McIntosh, N D; Szaniszlo, P J

2001-12-05

Stricter regulations on volatile organic compounds and hazardous air pollutants have increased the demand for abatement technologies. Biofiltration, a process in which contaminated air is passed through a biologically active bed, can be used to remove these pollutants from air streams. In this study, a fungal vapor-phase bioreactor containing a strain of the dimorphic black yeast, Exophiala lecanii-corni, was used to treat a gas stream contaminated with toluene. The maximum toluene elimination capacity in short-term tests was 270 g m(-3) h(-1), which is 2 to 7 times greater than the toluene elimination capacities typically reported for bacterial systems. The fungal bioreactor also maintained toluene removal efficiencies of greater than 95% throughout the 175-day study. Harsh operating conditions such as low moisture content, acidic biofilms, and nitrogen limitation did not adversely affect performance. The fungal bioreactor also rapidly reestablished high toluene removal efficiencies after an 8-day shutdown period. These results indicate that fungal bioreactors may be an effective alternative to conventional abatement technologies for treating high concentrations of pollutants in waste gas streams. Copyright 2001 John Wiley & Sons, Inc.

Back Propagation Neural Network Model for Predicting the Performance of Immobilized Cell Biofilters Handling Gas-Phase Hydrogen Sulphide and Ammonia

PubMed Central

Rene, Eldon R.; López, M. Estefanía; Kim, Jung Hoon; Park, Hung Suck

2013-01-01

Lab scale studies were conducted to evaluate the performance of two simultaneously operated immobilized cell biofilters (ICBs) for removing hydrogen sulphide (H2S) and ammonia (NH3) from gas phase. The removal efficiencies (REs) of the biofilter treating H2S varied from 50 to 100% at inlet loading rates (ILRs) varying up to 13 g H2S/m3 ·h, while the NH3 biofilter showed REs ranging from 60 to 100% at ILRs varying between 0.5 and 5.5 g NH3/m3 ·h. An application of the back propagation neural network (BPNN) to predict the performance parameter, namely, RE (%) using this experimental data is presented in this paper. The input parameters to the network were unit flow (per min) and inlet concentrations (ppmv), respectively. The accuracy of BPNN-based model predictions were evaluated by providing the trained network topology with a test dataset and also by calculating the regression coefficient (R 2) values. The results from this predictive modeling work showed that BPNNs were able to predict the RE of both the ICBs efficiently. PMID:24307999

Nanostructured copper-coated solid-phase microextraction fiber for gas chromatographic analysis of dibutyl phthalate and diethylhexyl phthalate environmental estrogens.

PubMed

Feng, Juanjuan; Sun, Min; Bu, Yanan; Luo, Chuannan

2015-01-01

A novel nanostructured copper-based solid-phase microextraction fiber was developed and applied for determining the two most common types of phthalate environmental estrogens (dibutyl phthalate and diethylhexyl phthalate) in aqueous samples, coupled to gas chromatography with flame ionization detection. The copper film was coated onto a stainless-steel wire via an electroless plating process, which involved a surface activation process to improve the surface properties of the fiber. Several parameters affecting extraction efficiency such as extraction time, extraction temperature, ionic strength, desorption temperature, and desorption time were optimized by a factor-by-factor procedure to obtain the highest extraction efficiency. The as-established method showed wide linear ranges (0.05-250 μg/L). Precision of single fiber repeatability was <7.0%, and fiber-to-fiber repeatability was <10%. Limits of detection were 0.01 μg/L. The proposed method exhibited better or comparable extraction performance compared with commercial and other lab-made fibers, and excellent thermal stability and durability. The proposed method was applied successfully for the determination of model analytes in plastic soaking water. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Determination of desipramine in biological samples using liquid-liquid-liquid microextraction combined with in-syringe derivatization, gas chromatography, and nitrogen/phosphorus detection.

PubMed

Saraji, Mohammad; Mehrafza, Narges; Bidgoli, Ali Akbar Hajialiakbari; Jafari, Mohammad Taghi

2012-10-01

A method was established for the determination of desipramine in biological samples using liquid-liquid-liquid microextraction followed by in-syringe derivatization and gas chromatography-nitrogen phosphorus detection. The extraction method was based on the use of two immiscible organic solvents. n-Dodecane was impregnated in the pores of the hollow fiber and methanol was placed inside the lumen of the fiber as the acceptor phase. Acetic anhydride was used as the reagent for the derivatization of the analyte inside the syringe barrel. Parameters that affect the extraction efficiency (composition of donor and acceptor phase, ionic strength, sample temperature, and extraction time) as well as derivatization efficiency (amount of acetic anhydride and reaction time and temperature) were investigated. The limit of detection was 0.02 μg/L with intra and interday RSDs of 2.6 and 7.7%, respectively. The linearity of the method was in the range of 0.2-20 μg/L (r(2) = 0.9986). The method was successfully applied to determine desipramine in human plasma and urine. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ultraviolet observations of the gas phase abundances in the diffuse clouds toward Zeta Ophiuchi at 3.5 kilometers per second resolution

NASA Technical Reports Server (NTRS)

Savage, Blair D.; Cardelli, Jason A.; Sofia, Ulysses J.

1992-01-01

Goddard High Resolution Spectrograph echelle mode measurements at 3.5 km/s resolution are presented for interstellar absorption produced by C II, O I, Mg I, Mg II, Al III, P II, Cr II, Mn II, Fe II, Ni II, Cu II, Zn II, Ga II, Ge II, and Kr I. The absorption line measurements are converted into representations of apparent column density per unit velocity in order to study the multicomponent nature of the absorption. The high spectral resolution of the measurements allows a comparative study of gas phase abundances for many species in the absorbing clouds near -27 and -15 km/s with a typical precision of about 0.05 dex. The matter absorbing near -27 km/s is situated in the local interstellar medium and has log N(H I) of about 19.74. This absorption provides information about the modest 'base' depletion associated with the lower density interstellar medium. The depletion results suggest that accretion processes are operating interstellar clouds that exhibit similar depletion efficiencies for some elements but much higher depletion efficiencies for others.

Decomposition of gas-phase trichloroethene by the UV/TiO2 process in the presence of ozone.

PubMed

Shen, Y S; Ku, Y

2002-01-01

The decomposition of gas-phase trichloroethene (TCE) in air streams by direct photolysis, the UV/TiO2 and UV/O3 processes was studied. The experiments were carried out under various UV light intensities and wavelengths, ozone dosages, and initial concentrations of TCE to investigate and compare the removal efficiency of the pollutant. For UV/TiO2 process, the individual contribution to the decomposition of TCE by direct photolysis and hydroxyl radicals destruction was differentiated to discuss the quantum efficiency with 254 and 365 nm UV lamps. The removal of gaseous TCE was found to reduce by UV/TiO2 process in the presence of ozone possibly because of the ozone molecules could scavenge hydroxyl radicals produced from the excitation of TiO2 by UV radiation to inhibit the decomposition of TCE. A photoreactor design equation for the decomposition of gaseous TCE by the UV/TiO2 process in air streams was developed by combining the continuity equation of the pollutant and the surface catalysis reaction rate expression. By the proposed design scheme, the temporal distribution of TCE at various operation conditions by the UV/TiO2 process can be well modeled.

CARBON DIOXIDE SEPARATION BY PHASE ENHANCED GAS-LIQUID ABSORPTION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liang Hu

A new process called phase enhanced gas-liquid absorption has been developed in its early stage. It was found that adding another phase into the absorption system of gas/aqueous phase could enhance the absorption rate. A system with three phases was studied. In the system, gas phase was carbon dioxide. Two liquid phases were used. One was organic phase. Another was aqueous phase. By addition of organic phase into the absorption system of CO{sub 2}-aqueous phase, the absorption rate of CO{sub 2} was increased significantly. CO{sub 2} finally accumulated into aqueous phase. The experimental results proved that (1) Absorption rate ofmore » carbon dioxide was enhanced by adding organic phase into gas aqueous phase system; (2) Organic phase played the role of transportation of gas solute (CO{sub 2}). Carbon dioxide finally accumulated into aqueous phase.« less

Optimization of air plasma reconversion of UF6 to UO2 based on thermodynamic calculations

NASA Astrophysics Data System (ADS)

Tundeshev, Nikolay; Karengin, Alexander; Shamanin, Igor

2018-03-01

The possibility of plasma-chemical conversion of depleted uranium-235 hexafluoride (DUHF) in air plasma in the form of gas-air mixtures with hydrogen is considered in the paper. Calculation of burning parameters of gas-air mixtures is carried out and the compositions of mixtures obtained via energy-efficient conversion of DUHF in air plasma are determined. With the help of plasma-chemical conversion, thermodynamic modeling optimal composition of UF6-H2-Air mixtures and its burning parameters, the modes for production of uranium dioxide in the condensed phase are determined. The results of the conducted researches can be used for creation of technology for plasma-chemical conversion of DUHF in the form of air-gas mixtures with hydrogen.

Resonant third harmonic generation of KrF laser in Ar gas.

PubMed

Rakowski, R; Barna, A; Suta, T; Bohus, J; Földes, I B; Szatmári, S; Mikołajczyk, J; Bartnik, A; Fiedorowicz, H; Verona, C; Verona Rinati, G; Margarone, D; Nowak, T; Rosiński, M; Ryć, L

2014-12-01

Investigations of emission of harmonics from argon gas jet irradiated by 700 fs, 5 mJ pulses from a KrF laser are presented. Harmonics conversion was optimized by varying the experimental geometry and the nozzle size. For the collection of the harmonic radiation silicon and solar-blind diamond semiconductor detectors equipped with charge preamplifiers were applied. The possibility of using a single-crystal CVD diamond detector for separate measurement of the 3rd harmonic in the presence of a strong pumping radiation was explored. Our experiments show that the earlier suggested 0.7% conversion efficiency can really be obtained, but only in the case when phase matching is optimized with an elongated gas target length corresponding to the length of coherence.

LEO P: HOW MANY METALS CAN A VERY LOW MASS, ISOLATED GALAXY RETAIN?

DOE Office of Scientific and Technical Information (OSTI.GOV)

McQuinn, Kristen B. W.; Skillman, Evan D.; Dolphin, Andrew

Leo P is a gas-rich dwarf galaxy with an extremely low gas-phase oxygen abundance (3% solar). The isolated nature of Leo P enables a quantitative measurement of metals lost solely due to star formation feedback. We present an inventory of the oxygen atoms in Leo P based on the gas-phase oxygen abundance measurement, the star formation history (SFH), and the chemical enrichment evolution derived from resolved stellar populations. The SFH also provides the total amount of oxygen produced. Overall, Leo P has retained 5% of its oxygen; 25% of the retained oxygen is in the stars while 75% is in the gas phase. Thismore » is considerably lower than the 20%–25% calculated for massive galaxies, supporting the trend for less efficient metal retention for lower-mass galaxies. The retention fraction is higher than that calculated for other alpha elements (Mg, Si, Ca) in dSph Milky Way satellites of similar stellar mass and metallicity. Accounting only for the oxygen retained in stars, our results are consistent with those derived for the alpha elements in dSph galaxies. Thus, under the assumption that the dSph galaxies lost the bulk of their gas mass through an environmental process such as tidal stripping, the estimates of retained metal fractions represent underestimates by roughly a factor of four. Because of its isolation, Leo P provides an important datum for the fraction of metals lost as a function of galaxy mass due to star formation.« less

The evaluation of the pyrochemistry for the treatment of Gen IV nuclear fuels Inert matrix chlorination studies in the gas phase or molten chloride salts

NASA Astrophysics Data System (ADS)

Bourg, S.; Péron, F.; Lacquement, J.

2007-01-01

The structure of the fuels for the future Gen IV nuclear reactors will be totally different from those of PWR, especially for the GFR concept including a closed cycle. In these reactors, fissile materials (carbides or nitrides of actinides) should be surrounded by an inert matrix. In order to build a reprocessing process scheme, the behavior of the potential inert matrices (silicon carbide, titanium nitride, and zirconium carbide and nitride) was studied by hydro- and pyrometallurgy. This paper deals with the chlorination results at high temperature by pyrometallurgy. For the first time, the reactivity of the matrix towards chlorine gas was assessed in the gas phase. TiN, ZrN and ZrC are very reactive from 400 °C whereas it is necessary to be over 900 °C for SiC to be as fast. In molten chloride melts, the bubbling of chlorine gas is less efficient than in gas phase but it is possible to attack the matrices. Electrochemical methods were also used to dissolve the refractory materials, leading to promising results with TiN, ZrN and ZrC. The massive SiC samples used were not conductive enough to be studied and in this case specific SiC-coated carbon electrodes were used. The key point of these studies was to find a method to separate the matrix compounds from the fissile material in order to link the head to the core of the process (electrochemical separation or liquid-liquid reductive extraction in the case of a pyrochemical reprocessing).

Headspace solid-phase microextraction coupled to comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry for the analysis of aerosol from tobacco heating product.

PubMed

Savareear, Benjamin; Lizak, Radoslaw; Brokl, Michał; Wright, Chris; Liu, Chuan; Focant, Jean-Francois

2017-10-20

A method involving headspace solid-phase microextraction (HS-SPME) and comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC×GC-TOFMS) was developed and optimised to elucidate the volatile composition of the particulate phase fraction of aerosol produced by tobacco heating products (THPs). Three SPME fiber types were studied in terms of extraction capacity and precision measurements. Divinylbenzene polydimethylsiloxane appeared as the most efficient coating for these measurements. A central composite design of experiment was utilised for the optimization of the extraction conditions. Qualitative and semi-quantitative analysis of the headspace above THP aerosol condensate was carried out using optimised extraction conditions. Semi-quantitative analyses of detected constituents were performed by assuming that their relative response factors to the closest internal standard ( i t R ) were equal to 1. Using deconvoluted mass spectral data (library similarity and reverse match >750) and linear retention indices (match window of ±15 index units), 205 peaks were assigned to individual compounds, 82 of which (including 43 substances previously reported to be present in tobacco) have not been reported previously in tobacco aerosol. The major volatile fraction of the headspace contained ketones, alcohols, aldehydes, alicyclic hydrocarbons alkenes, and alkanes. The method was further applied to compare the volatiles from the particulate phase of aerosol composition of THP with that of reference cigarette smoke and showed that the THP produced a less complex chemical mixture. This new method showed good efficiency and precision for the peak areas and peak numbers from the volatile fraction of aerosol particulate phase for both THP and reference cigarettes. Copyright © 2017 Elsevier B.V. All rights reserved.

Charge Exchange Reaction in Dopant-Assisted Atmospheric Pressure Chemical Ionization and Atmospheric Pressure Photoionization.

PubMed

Vaikkinen, Anu; Kauppila, Tiina J; Kostiainen, Risto

2016-08-01

The efficiencies of charge exchange reaction in dopant-assisted atmospheric pressure chemical ionization (DA-APCI) and dopant-assisted atmospheric pressure photoionization (DA-APPI) mass spectrometry (MS) were compared by flow injection analysis. Fourteen individual compounds and a commercial mixture of 16 polycyclic aromatic hydrocarbons were chosen as model analytes to cover a wide range of polarities, gas-phase ionization energies, and proton affinities. Chlorobenzene was used as the dopant, and methanol/water (80/20) as the solvent. In both techniques, analytes formed the same ions (radical cations, protonated molecules, and/or fragments). However, in DA-APCI, the relative efficiency of charge exchange versus proton transfer was lower than in DA-APPI. This is suggested to be because in DA-APCI both dopant and solvent clusters can be ionized, and the formed reagent ions can react with the analytes via competing charge exchange and proton transfer reactions. In DA-APPI, on the other hand, the main reagents are dopant-derived radical cations, which favor ionization of analytes via charge exchange. The efficiency of charge exchange in both DA-APPI and DA-APCI was shown to depend heavily on the solvent flow rate, with best efficiency seen at lowest flow rates studied (0.05 and 0.1 mL/min). Both DA-APCI and DA-APPI showed the radical cation of chlorobenzene at 0.05-0.1 mL/min flow rate, but at increasing flow rate, the abundance of chlorobenzene M(+.) decreased and reagent ion populations deriving from different gas-phase chemistry were recorded. The formation of these reagent ions explains the decreasing ionization efficiency and the differences in charge exchange between the techniques. Graphical Abstract ᅟ.

A finite element code for modelling tracer transport in a non-isothermal two-phase flow system for CO2 geological storage characterization

NASA Astrophysics Data System (ADS)

Tong, F.; Niemi, A. P.; Yang, Z.; Fagerlund, F.; Licha, T.; Sauter, M.

2011-12-01

This paper presents a new finite element method (FEM) code for modeling tracer transport in a non-isothermal two-phase flow system. The main intended application is simulation of the movement of so-called novel tracers for the purpose of characterization of geologically stored CO2 and its phase partitioning and migration in deep saline formations. The governing equations are based on the conservation of mass and energy. Among the phenomena accounted for are liquid-phase flow, gas flow, heat transport and the movement of the novel tracers. The movement of tracers includes diffusion and the advection associated with the gas and liquid flow. The temperature, gas pressure, suction, concentration of tracer in liquid phase and concentration of tracer in gas phase are chosen as the five primary variables. Parameters such as the density, viscosity, thermal expansion coefficient are expressed in terms of the primary variables. The governing equations are discretized in space using the Galerkin finite element formulation, and are discretized in time by one-dimensional finite difference scheme. This leads to an ill-conditioned FEM equation that has many small entries along the diagonal of the non-symmetric coefficient matrix. In order to deal with the problem of non-symmetric ill-conditioned matrix equation, special techniques are introduced . Firstly, only nonzero elements of the matrix need to be stored. Secondly, it is avoided to directly solve the whole large matrix. Thirdly, a strategy has been used to keep the diversity of solution methods in the calculation process. Additionally, an efficient adaptive mesh technique is included in the code in order to track the wetting front. The code has been validated against several classical analytical solutions, and will be applied for simulating the CO2 injection experiment to be carried out at the Heletz site, Israel, as part of the EU FP7 project MUSTANG.

Optimization of the solvent-based dissolution method to sample volatile organic compound vapors for compound-specific isotope analysis.

PubMed

Bouchard, Daniel; Wanner, Philipp; Luo, Hong; McLoughlin, Patrick W; Henderson, James K; Pirkle, Robert J; Hunkeler, Daniel

2017-10-20

The methodology of the solvent-based dissolution method used to sample gas phase volatile organic compounds (VOC) for compound-specific isotope analysis (CSIA) was optimized to lower the method detection limits for TCE and benzene. The sampling methodology previously evaluated by [1] consists in pulling the air through a solvent to dissolve and accumulate the gaseous VOC. After the sampling process, the solvent can then be treated similarly as groundwater samples to perform routine CSIA by diluting an aliquot of the solvent into water to reach the required concentration of the targeted contaminant. Among solvents tested, tetraethylene glycol dimethyl ether (TGDE) showed the best aptitude for the method. TGDE has a great affinity with TCE and benzene, hence efficiently dissolving the compounds during their transition through the solvent. The method detection limit for TCE (5±1μg/m 3 ) and benzene (1.7±0.5μg/m 3 ) is lower when using TGDE compared to methanol, which was previously used (385μg/m 3 for TCE and 130μg/m 3 for benzene) [2]. The method detection limit refers to the minimal gas phase concentration in ambient air required to load sufficient VOC mass into TGDE to perform δ 13 C analysis. Due to a different analytical procedure, the method detection limit associated with δ 37 Cl analysis was found to be 156±6μg/m 3 for TCE. Furthermore, the experimental results validated the relationship between the gas phase TCE and the progressive accumulation of dissolved TCE in the solvent during the sampling process. Accordingly, based on the air-solvent partitioning coefficient, the sampling methodology (e.g. sampling rate, sampling duration, amount of solvent) and the final TCE concentration in the solvent, the concentration of TCE in the gas phase prevailing during the sampling event can be determined. Moreover, the possibility to analyse for TCE concentration in the solvent after sampling (or other targeted VOCs) allows the field deployment of the sampling method without the need to determine the initial gas phase TCE concentration. The simplified field deployment approach of the solvent-based dissolution method combined with the conventional analytical procedure used for groundwater samples substantially facilitates the application of CSIA to gas phase studies. Copyright © 2017 Elsevier B.V. All rights reserved.

Barium Tagging for nEXO

NASA Astrophysics Data System (ADS)

Fudenberg, Daniel; Brunner, Thomas; Varentsov, Victor; Devoe, Ralph; Dilling, Jens; Gratta, Giorgio; nEXO Collaboration

2015-10-01

nEXO is a next-generation experiment designed to search for 0 νββ -decay of Xe-136 in a liquid xenon time projection chamber. Positive observation of this decay would determine the neutrino to be a Majorana particle In order to greatly reduce background contributions to this search, the collaboration is developing several ``barium tagging'' techniques to recover and identify the decay daughter, Ba-136. ``Tagging'' may be available for a 2nd phase of nEXO and will push the sensitivity beyond the inverted neutrino-mass hierarchy. Tagging methods in testing for this phase include Ba-ion capture on a probe with identification by resonance ionization laser spectroscopy, and Ba capture in solid xenon on a cold probe with identification by fluorescence. In addition, Ba tagging for a gas-phase detector, appropriate for a later stage, is being tested. Here efficient ion extraction from heavy carrier gases is key. Detailed gas-dynamic and ion transport calculations have been performed to optimize for ion extraction. An apparatus to extract Ba ions from up to 10 bar xenon gas into vacuum using an RF-only funnel has been constructed and demonstrates extraction of ions from noble gases. We will present this system's status along with results of this R&D program.

Controllable synthesis of mesoporous multi-shelled ZnO microspheres as efficient photocatalysts for NO oxidation

NASA Astrophysics Data System (ADS)

Chen, Xiaolang; Zhang, Huiqiang; Zhang, Dieqing; Miao, Yingchun; Li, Guisheng

2018-03-01

The successful application of hierarchically porous structure in environmental treatment has provided new insights for solving environmental problems. Hierarchically structured semiconductor materials were considered as promising photocatalysts for NO oxidation in gas phase. Multi-shelled ZnO microspheres (MMSZ) were controllably shaped with hierarchically porous structures via a facile hydrothermal route using amino acid (N-Acetyl-D-Proline) as template and post-calcination treatment. Symmetric Ostwald ripening was used to explain the morphological evolution of hierarchical nanostructure. MMSZ was proved highly efficient for oxidizing NO (400 ppb) in gas phase under UV light irradiation with a much higher photocatalytic removal rate (77.3%) than that of the as-obtained ZnO crystals with other hierachically porous structures, owing to its higher photocurrent intensity. Such greatly enhanced photocatalytic activity can be assigned to the enhanced crystallinity of ZnO, mesopores and unique multi-shelled structure. Enhanced crystallinity promotes photogenerated charges under light irradiation. Mesoporous porosity can ensure enough light scattering between the shells. Multi-shelled structure endows ZnO with higher specific surface area and high frequency of multiple light reflection, resulting in more exposed active sites, higher light utilization efficiency, and fast separation efficiency of photogenerated charge carriers. The experimental results demonstrated that the photogenerated holes (h+) are the main active species. Hierarchically structured ZnO is not only contributed to directly use solar energy to solving various problems caused by atmospheric pollution, but also has potential applications in energy converse and storage including solar cells, lithium batteries, water-splitting, etc.

Efficient GO2/GH2 Injector Design: A NASA, Industry and University Cooperative Effort

NASA Technical Reports Server (NTRS)

Tucker, P. K.; Klem, M. D.; Fisher, S. C.; Santoro, R. J.

1997-01-01

Developing new propulsion components in the face of shrinking budgets presents a significant challenge. The technical, schedule and funding issues common to any design/development program are complicated by the ramifications of the continuing decrease in funding for the aerospace industry. As a result, new working arrangements are evolving in the rocket industry. This paper documents a successful NASA, industry, and university cooperative effort to design efficient high performance GO2/GH2 rocket injector elements in the current budget environment. The NASA Reusable Launch Vehicle (RLV) Program initially consisted of three vehicle/engine concepts targeted at achieving single stage to orbit. One of the Rocketdyne propulsion concepts, the RS 2100 engine, used a full-flow staged-combustion cycle. Therefore, the RS 2100 main injector would combust GO2/GH 2 propellants. Early in the design phase, but after budget levels and contractual arrangements had been set the limitations of the current gas/gas injector database were identified. Most of the relevant information was at least twenty years old. Designing high performance injectors to meet the RS 2100 requirements would require the database to be updated and significantly enhanced. However, there was no funding available to address the need for more data. NASA proposed a teaming arrangement to acquire the updated information without additional funds from the RLV Program. A determination of the types and amounts of data needed was made along with test facilities with capabilities to meet the data requirements, budget constraints, and schedule. After several iterations a program was finalized and a team established to satisfy the program goals. The Gas/Gas Injector Technology (GGIT) Program had the overall goal of increasing the ability of the rocket engine community to design efficient high-performance, durable gas/gas injectors relevant to RLV requirements. First, the program would provide Rocketdyne with data on preliminary gas/gas injector designs which would enable discrimination among candidate injector designs. Secondly, the program would enhance the national gas/gas database by obtaining high-quality data that increases the understanding of gas/gas injector physics and is suitable for computational fluid dynamics (CFD) code validation. The third program objective was to validate CFD codes for future gas/gas injector design in the RLV program.

Online Simultaneous Hydrogen/Deuterium Exchange of Multitarget Gas-Phase Molecules by Electrospray Ionization Mass Spectrometry Coupled with Gas Chromatography.

PubMed

Jeong, Eun Sook; Cha, Eunju; Cha, Sangwon; Kim, Sunghwan; Oh, Han Bin; Kwon, Oh-Seung; Lee, Jaeick

2017-11-21

In this study, a hydrogen/deuterium (H/D) exchange method using gas chromatography-electrospray ionization/mass spectrometry (GC-ESI/MS) was first investigated as a novel tool for online H/D exchange of multitarget analytes. The GC and ESI source were combined with a homemade heated column transfer line. GC-ESI/MS-based H/D exchange occurs in an atmospheric pressure ion source as a result of reacting the gas-phase analyte eluted from GC with charged droplets of deuterium oxide infused as the ESI spray solvent. The consumption of the deuterated solvent at a flow rate of 2 μL min -1 was more economical than that in online H/D exchange methods reported to date. In-ESI-source H/D exchange by GC-ESI/MS was applied to 11 stimulants with secondary amino or hydroxyl groups. After H/D exchange, the spectra of the stimulants showed unexchanged, partially exchanged, and fully exchanged ions showing various degrees of exchange. The relative abundances corrected for naturally occurring isotopes of the fully exchanged ions of stimulants, except for etamivan, were in the range 24.3-85.5%. Methylephedrine and cyclazodone showed low H/D exchange efficiency under acidic, neutral, and basic spray solvent conditions and nonexchange for etamivan with an acidic phenolic OH group. The in-ESI-source H/D exchange efficiency by GC-ESI/MS was sufficient to determine the number of hydrogen by elucidation of fragmentation from the spectrum. Therefore, this online H/D exchange technique using GC-ESI/MS has potential as an alternative method for simultaneous H/D exchange of multitarget analytes.

Multi-fuel combustor for gas turbine engines: Phase 1, Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Melconian, J.O.; Marden, W.W., III

An innovative can combustor configuration has been developed for gas turbine engines which has the potential of burning fuels ranging from gasoline to coal/water slurries at high efficiencies. The design is based on a Variable Residence Time (VRT) concept which allows large and agglomerated fuel particles adequate time to completely burn. High durability of the combustor is achieved by dual function use of the incoming air. For applications which require the burning of coal/water slurries, the design has the capability of removing the ash particles directly from the primary zone of the combustor. It is anticipated that because of themore » small size requirement of this combustor design, existing gas turbine engines could be retrofitted within the confines of the current engine envelope. In Phase 1, the feasibility of the concept was successfully demonstrated by three-dimensional mathematical modeling and water analogue tests. The Plexiglas model used in the water analogue tests was designed to fit the current production engine of a major manufacturer. 19 figs., 2 tabs.« less

Efficient nitrogen incorporation in GaAs using novel metal organic As-N precursor di-tertiary-butyl-arsano-amine (DTBAA)

NASA Astrophysics Data System (ADS)

Sterzer, E.; Beyer, A.; Duschek, L.; Nattermann, L.; Ringler, B.; Leube, B.; Stegmüller, A.; Tonner, R.; von Hänisch, C.; Stolz, W.; Volz, K.

2016-04-01

III/V semiconductors containing small amounts of nitrogen (N; dilute nitrides) are discussed in the context of different solar cell and laser applications. The efficiency of these devices is negatively affected by carbon (C) incorporation, which comes either from the direct C-N bond in the N precursor unsymmetrical 1,1-dimethylhydrazine (UDMHy) used conventionally or from the alkyl groups of the conventional precursors for gallium (Ga), indium and arsenic (As) containing carbon. This C is incorporated together with the N due to the strength of the C-N bond. A further important issue in dilute nitride growth is the very low N incorporation efficiency in the crystal from UDMHy, which can be as little as 1% of the N supplied in the gas phase. Therefore, new metal organic chemicals have to be synthesized and their growth characteristics and suitability for dilute nitride growth have to be explored. This work presents the chemical di-tertiary-butyl-arsano-amine (DTBAA), which was synthesized, purified and tested as an N precursor for metal organic vapor phase epitaxy (MOVPE). Computational investigations show β-hydrogen and isobutane elimination to be the main reaction channel in the gas phase with high reaction barriers and absence of small fragments containing C as products. The loss of N via N2, as in UDMHy, can be excluded for unimolecular reactions of DTBAA. The Ga(NAs)/GaAs heterostructures were grown by MOVPE as initial test material and a systematic N incorporation study is presented in this paper. It is shown that high quality Ga(NAs) can be grown using DTBAA. The N incorporation was confirmed by high resolution X-ray diffraction and photoluminescence studies. All samples grown exhibit as grown room temperature photoluminescence and smooth surface morphologies. Furthermore, DTBAA shows extremely high N incorporation efficiency, which makes this molecule a very promising candidate for further research into dilute nitride material growth.

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.

Infrared photodissociation spectroscopy of protonated neurotransmitters in the gas phase

NASA Astrophysics Data System (ADS)

MacLeod, N. A.; Simons, J. P.

2007-03-01

Protonated neurotransmitters have been produced in the gas phase via a novel photochemical scheme: complexes of the species of interest, 1-phenylethylamine, 2-amino-1-phenylethanol and the diastereo-isomers, ephedrine and pseudoephedrine, with a suitable proton donor, phenol (or indole), are produced in a supersonic expansion and ionized by resonant two photon ionization of the donor. Efficient proton transfer generates the protonated neurotransmitters, complexed to a phenoxy radical. Absorption of infrared radiation, and subsequent evaporation of the phenoxy tag, coupled with time of flight mass spectrometry, provides vibrational spectra of the protonated (and also hydrated) complexes for comparison with the results of quantum chemical computation. Comparison with the conformational structures of the neutral neurotransmitters (established previously) reveals the effect of protonation on their structure. The photochemical proton transfer strategy allows spectra to be recorded from individual laser shots and their quality compares favourably with that obtained using electro-spray or matrix assisted laser desorption ion sources.

The sensitivity of gas-phase models of dense interstellar clouds to changes in dissociative recombination branching ratios

NASA Technical Reports Server (NTRS)

Millar, T. J.; Defrees, D. J.; Mclean, A. D.; Herbst, E.

1988-01-01

The approach of Bates to the determination of neutral product branching ratios in ion-electron dissociative recombination reactions has been utilized in conjunction with quantum chemical techniques to redetermine branching ratios for a wide variety of important reactions of this class in dense interstellar clouds. The branching ratios have then been used in a pseudo time-dependent model calculation of the gas phase chemistry of a dark cloud resembling TMC-1 and the results compared with an analogous model containing previously used branching ratios. In general, the changes in branching ratios lead to stronger effects on calculated molecular abundances at steady state than at earlier times and often lead to reductions in the calculated abundances of complex molecules. However, at the so-called 'early time' when complex molecule synthesis is most efficient, the abundances of complex molecules are hardly affected by the newly used branching ratios.

Enhanced biodiesel production in Neochloris oleoabundans by a semi-continuous process in two stage photobioreactors.

PubMed

Yoon, Se Young; Hong, Min Eui; Chang, Won Seok; Sim, Sang Jun

2015-07-01

Under autotrophic conditions, highly productive biodiesel production was achieved using a semi-continuous culture system in Neochloris oleoabundans. In particular, the flue gas generated by combustion of liquefied natural gas and natural solar radiation were used for cost-effective microalgal culture system. In semi-continuous culture, the greater part (~80%) of the culture volume containing vegetative cells grown under nitrogen-replete conditions in a first photobioreactor (PBR) was directly transferred to a second PBR and cultured sequentially under nitrogen-deplete conditions for accelerating oil accumulation. As a result, in semi-continuous culture, the productivities of biomass and biodiesel in the cells were increased by 58% (growth phase) and 51% (induction phase) compared to the cells in batch culture, respectively. The semi-continuous culture system using two stage photobioreactors is a very efficient strategy to further improve biodiesel production from microalgae under photoautotrophic conditions.

Application of gas diffusion electrodes in bioelectrochemical syntheses and energy conversion.

PubMed

Horst, Angelika E W; Mangold, Klaus-Michael; Holtmann, Dirk

2016-02-01

Combining the advantages of biological components (e.g., reaction specificity, self-replication) and electrochemical techniques in bioelectrochemical systems offers the opportunity to develop novel efficient and sustainable processes for the production of a number of valuable products. The choice of electrode material has a great impact on the performance of bioelectrochemical systems. In addition to the redox process at the electrodes, interactions of biocatalysts with electrodes (e.g., enzyme denaturation or biofouling) need to be considered. In recent years, gas diffusion electrodes (GDEs) have proved to be very attractive electrodes for bioelectrochemical purposes. GDEs are porous electrodes, that posses a large three-phase boundary surface. At this interface, a solid catalyst supports the electrochemical reaction between gaseous and liquid phase. This mini-review discusses the application of GDEs in microbial and enzymatic fuel cells, for microbial electrolysis, in biosensors and for electroenzymatic synthesis reactions. © 2015 Wiley Periodicals, Inc.

Determination of volatile monophenols in beer using acetylation and headspace solid-phase microextraction in combination with gas chromatography and mass spectrometry.

PubMed

Sterckx, Femke L; Saison, Daan; Delvaux, Freddy R

2010-08-31

Monophenols are widely spread compounds contributing to the flavour of many foods and beverages. They are most likely present in beer, but so far, little is known about their influence on beer flavour. To quantify these monophenols in beer, we optimised a headspace solid-phase microextraction method coupled to gas chromatography-mass spectrometry. To improve their isolation from the beer matrix and their chromatographic properties, the monophenols were acetylated using acetic anhydride and KHCO(3) as derivatising agent and base catalyst, respectively. Derivatisation conditions were optimised with attention for the pH of the reaction medium. Additionally, different parameters affecting extraction efficiency were optimised, including fibre coating, extraction time and temperature and salt addition. Afterwards, we calibrated and validated the method successfully and applied it for the analysis of monophenols in beer samples. 2010 Elsevier B.V. All rights reserved.

Gas chromatographic analysis of fatty acid methyl esters of milk fat by an ionic liquid derived from L-phenylalanine as the stationary phase.

PubMed

Mendoza, Laura González; González-Álvarez, Jaime; Gonzalo, Carla Fernández; Arias-Abrodo, Pilar; Altava, Belén; Luis, Santiago V; Burguete, Maria Isabel; Gutiérrez-Álvarez, María Dolores

2015-10-01

A Gas Chromatography (GC) method has been developed for the separation and characterization of the different fatty acids in anhydrous milk fat (AMF) by means of an ionic liquid stationary phase, characterized by a monocationic imidazolium salt derived from L-phenylalanine. The inner surface of a fused silica capillary column was modified using this ionic liquid functionality and 3-aminopropyldiethoxymethyl silane. This coated GC column, which exhibited good thermal stability (270°C) and good efficiency (2700 plates/m), has been characterized using the Abraham solvation parameter model. The intra-day and inter-day precision of the method have been evaluated, obtaining relative standard deviations (RSD) from 0.99% to 4.0% and from 2.8% to 9.2%, respectively. Furthermore, recoveries from 90% and 99% have been achieved. Copyright © 2015 Elsevier B.V. All rights reserved.

Microbial use of gas phase organic compounds in the surface ocean

NASA Astrophysics Data System (ADS)

Arrieta, Jesus M.; Duarte, Carlos M.; Monserrat Sala, M.; Dachs, Jordi

2016-04-01

Large diffusive air-sea fluxes of gas-phase organic carbon (GOC) have been identified, indicating that the ocean may be a major sink for these compounds. However, little is known about the fate of these GOC compounds entering the surface ocean. We report efficient use of atmospheric GOC by marine prokaryotes at different locations in the NE Subtropical Atlantic Ocean, the Arctic Ocean and the Mediterranean Sea. Our results indicate that between 2 to 27% of the prokaryotic carbon demand was supported by GOC. Between 1 and 94% of the GOC entering the ocean was consumed by prokaryotes depending on locations, thus sustaining a disequilibrium, which drives the transfer of GOC from the atmosphere into the ocean. The magnitude of this, previously unnoticed, microbial GOC utilization stresses the need for incorporating the oceanic uptake of gaseous organic carbon into the global carbon budget.

Chromatographic Techniques for Rare Earth Elements Analysis

NASA Astrophysics Data System (ADS)

Chen, Beibei; He, Man; Zhang, Huashan; Jiang, Zucheng; Hu, Bin

2017-04-01

The present capability of rare earth element (REE) analysis has been achieved by the development of two instrumental techniques. The efficiency of spectroscopic methods was extraordinarily improved for the detection and determination of REE traces in various materials. On the other hand, the determination of REEs very often depends on the preconcentration and separation of REEs, and chromatographic techniques are very powerful tools for the separation of REEs. By coupling with sensitive detectors, many ambitious analytical tasks can be fulfilled. Liquid chromatography is the most widely used technique. Different combinations of stationary phases and mobile phases could be used in ion exchange chromatography, ion chromatography, ion-pair reverse-phase chromatography and some other techniques. The application of gas chromatography is limited because only volatile compounds of REEs can be separated. Thin-layer and paper chromatography are techniques that cannot be directly coupled with suitable detectors, which limit their applications. For special demands, separations can be performed by capillary electrophoresis, which has very high separation efficiency.

Numerical investigation of cryogen re-gasification in a plate heat exchanger

NASA Astrophysics Data System (ADS)

Malecha, Ziemowit; Płuszka, Paweł; Brenk, Arkadiusz

2017-12-01

The efficient re-gasification of cryogen is a crucial process in many cryogenic installations. It is especially important in the case of LNG evaporators used in stationary and mobile applications (e.g. marine and land transport). Other gases, like nitrogen or argon can be obtained at highest purity after re-gasification from their liquid states. Plate heat exchangers (PHE) are characterized by a high efficiency. Application of PHE for liquid gas vaporization processes can be beneficial. PHE design and optimization can be significantly supported by numerical modelling. Such calculations are very challenging due to very high computational demands and complexity related to phase change modelling. In the present work, a simplified mathematical model of a two phase flow with phase change was introduced. To ensure fast calculations a simplified two-dimensional (2D) numerical model of a real PHE was developed. It was validated with experimental measurements and finally used for LNG re-gasification modelling. The proposed numerical model showed to be orders of magnitude faster than its full 3D original.

Production of renewable fuels by the photohydrogenation of CO2: effect of the Cu species loaded onto TiO2 photocatalysts.

PubMed

Chen, Bo-Ren; Nguyen, Van-Huy; Wu, Jeffrey C S; Martin, Reli; Kočí, Kamila

2016-02-14

The efficient gas phase photocatalytic hydrogenation of CO2 into a desirable renewable fuel was achieved using a Cu-loaded TiO2 photocatalyst system. Enhancing the amount of Ti(3+) relative to Ti(4+) in a Cu-loaded TiO2 photocatalyst provided an excellent opportunity to promote the photohydrogenation of CO2. The coexistence of Cu and Cu(+) species during the photoreaction was shown to efficiently enhance the photocatalytic activity by prolonging the lifetime of the electrons. To achieve the best photoactivity, the Cu species must be maintained at an appropriately low concentration (≤1 wt%). The highest CH4 yield obtained was 28.72 μmol g(-1). This approach opens a feasible route not only to store hydrogen by converting it into a desirable renewable fuel, but also to reduce the amount of the greenhouse gas CO2 in the atmosphere.

Fabrication and characterization of microelectromechanical systems-based gas chromatography column with embedded micro-posts for separation of environmental carcinogens.

PubMed

Sun, Jianhai; Cui, Dafu; Chen, Xing; Zhang, Lulu; Cai, Haoyuan; Li, Hui

2013-05-24

In this paper, a micro gas chromatography (μGC) column with embedded micro-posts was developed for increasing overall surface area of the columns which is able to support more of the stationary phase and reducing the effective width of the column, leading to higher separation efficiency. The proposed columns have a higher sample capacity as the overall surface area is about 3 times larger than that of open columns with the same dimensions. In order to achieve an even flow velocity in the channels, the location of the micro-posts in the linear channels and the configuration of curved channels were optimized by numerical simulation. The results have indicated that the proposed column separated 5 environmental carcinogens in less than 50s, achieved a separation efficiency of about 9500plates/m and eluted highly symmetrical Gaussian peaks. Copyright © 2013 Elsevier B.V. All rights reserved.

Fluidized bed combustor modeling

NASA Technical Reports Server (NTRS)

Horio, M.; Rengarajan, P.; Krishnan, R.; Wen, C. Y.

1977-01-01

A general mathematical model for the prediction of performance of a fluidized bed coal combustor (FBC) is developed. The basic elements of the model consist of: (1) hydrodynamics of gas and solids in the combustor; (2) description of gas and solids contacting pattern; (3) kinetics of combustion; and (4) absorption of SO2 by limestone in the bed. The model is capable of calculating the combustion efficiency, axial bed temperature profile, carbon hold-up in the bed, oxygen and SO2 concentrations in the bubble and emulsion phases, sulfur retention efficiency and particulate carry over by elutriation. The effects of bed geometry, excess air, location of heat transfer coils in the bed, calcium to sulfur ratio in the feeds, etc. are examined. The calculated results are compared with experimental data. Agreement between the calculated results and the observed data are satisfactory in most cases. Recommendations to enhance the accuracy of prediction of the model are suggested.

Development of new method of δ13C measurement for trace hydrocarbons in natural gas using solid phase micro-extraction coupled to gas chromatography isotope ratio mass spectrometry.

PubMed

Li, Zhongping; Wang, Xibin; Li, Liwu; Zhang, Mingjie; Tao, Mingxin; Xing, Lantian; Cao, Chunhui; Xia, Yanqing

2014-11-01

Compound specific isotope analysis (CSIA) of normal-level hydrocarbons (C 1 -C 4 ) in natural gas is often successfully used in natural gas origin identification and classification, but little progress so far has been made for trace level hydrocarbons (C 5 -C 14 ) in natural gas. In this study, we developed a method for rapid analysis of carbon isotopic ratios for trace hydrocarbons in natural gas samples. This method can be described as a combined approach characterized by solid phase micro-extraction (SPME) technique coupled to gas chromatography isotope ratio mass spectrometry (GC/IRMS). In this study, the CAR-PDMS fiber was chosen as the SPME adsorptive material after comparative experiments with other four fibers, and the parameters, including equilibration time, extraction temperature and desorption time, for efficient extraction of trace hydrocarbons were systematically optimized. The results showed the carbon isotopic fractionation was not observed as a function of equilibration time and extraction temperature. And the δ 13 C signatures determined by SPME-GC/IRMS were in good agreement with the known δ 13 C values of C 5 -C 14 measured by GC-IRMS, and the accuracy is generally within ±0.5‰. Five natural gas samples were analyzed using this method, and the δ 13 C values for C 5 -C 14 components were obtained with satisfied repeatability. The SPME-GC/IRMS approach fitted with CAR-PDMS fiber is well suited for the preconcentration of trace hydrocarbons and provides so far the most reliable carbon isotopic analysis for trace compounds in natural gas. Published by Elsevier B.V.

The Grism Lens-amplified Survey from Space (GLASS). X. Sub-kiloparsec Resolution Gas-phase Metallicity Maps at Cosmic Noon behind the Hubble Frontier Fields Cluster MACS1149.6+2223

NASA Astrophysics Data System (ADS)

Wang, Xin; Jones, Tucker A.; Treu, Tommaso; Morishita, Takahiro; Abramson, Louis E.; Brammer, Gabriel B.; Huang, Kuang-Han; Malkan, Matthew A.; Schmidt, Kasper B.; Fontana, Adriano; Grillo, Claudio; Henry, Alaina L.; Karman, Wouter; Kelly, Patrick L.; Mason, Charlotte A.; Mercurio, Amata; Rosati, Piero; Sharon, Keren; Trenti, Michele; Vulcani, Benedetta

2017-03-01

We combine deep Hubble Space Telescope grism spectroscopy with a new Bayesian method to derive maps of gas-phase metallicity for 10 star-forming galaxies at high redshift (1.2≲ z≲ 2.3). Exploiting lensing magnification by the foreground cluster MACS1149.6+2223, we reach sub-kiloparsec spatial resolution and push the limit of stellar mass associated with such high-z spatially resolved measurements below {10}8 {M}⊙ for the first time. Our maps exhibit diverse morphologies, indicative of various effects such as efficient radial mixing from tidal torques, rapid accretion of low-metallicity gas, and other physical processes that can affect the gas and metallicity distributions in individual galaxies. Based upon an exhaustive sample of all existing sub-kiloparesec resolution metallicity gradient measurements at high z, we find that predictions given by analytical chemical evolution models assuming a relatively extended star-formation profile in the early disk-formation phase can explain the majority of observed metallicity gradients, without involving galactic feedback or radial outflows. We observe a tentative correlation between stellar mass and metallicity gradients, consistent with the “downsizing” galaxy formation picture that more massive galaxies are more evolved into a later phase of disk growth, where they experience more coherent mass assembly at all radii and thus show shallower metallicity gradients. In addition to the spatially resolved analysis, we compile a sample of homogeneously cross-calibrated integrated metallicity measurements spanning three orders of magnitude in stellar mass at z ˜ 1.8. We use this sample to study the mass-metallicity relation (MZR) and find that the slope of the observed MZR can rule out the momentum-driven wind model at a 3σ confidence level.

Emission of polycyclic aromatic hydrocarbons, toxicity, and mutagenicity from domestic cooking using sawdust briquettes, wood, and kerosene.

PubMed

Kim, OanhNguyenThi; Nghiem, Le Hoang; Phyu, Yin Latt

2002-03-01

Smoke samples, in both gas and particulate matter (PM) phases, of the three domestic stoves were collected using U.S. EPA modified method 5 and were analyzed for 17 PAH (HPLC-UV), acute toxicity (Microtox test), and mutagenicity (Amestest). The gas phase of smoke contributed > or = 95% of 17 PAH, > or = 96% of toxicity, and > or = 60% of mutagenicity. The highest emission factor of 17 PAH was from sawdust briquettes (260 mg/kg), but the highest emission of 11 genotoxic PAH was from kerosene (28 mg/kg). PM samples of kerosene smoke were not toxic. The total toxicity emission factor was the highest from sawdust, followed by kerosene and wood fuel. Smoke samples from the kerosene stove were not mutagenic. TA98 indicated the presence of both direct and indirect mutagenic activities in PM samples of sawdust and wood fuel but only direct mutagenic activities in the gas phase. TA100 detected only direct mutagenic activities in both PM and gas-phase samples. The higher mutagenicity emission factor was from wood fuel, 12 x 10(6) revertants/kg (TA100-S9) and 3.5 x 10(6) (TA98-S9), and lower from sawdust, 2.9 x 10(6) (TA100-S9) and 2.8 x 10(6) (TA98-S9). The low burning rate and high efficiency of a kerosene stove have resulted in the lowest PAH, toxicity, and mutagenicity emissions from daily cooking activities. The bioassays produced toxicity and mutagenicity results in correspondence with the PAH content of samples. The tests could be used for a quick assessment of potential health risks.

Quantum dynamics of the Eley-Rideal hydrogen formation reaction on graphite at typical interstellar cloud conditions.

PubMed

Casolo, Simone; Martinazzo, Rocco; Bonfanti, Matteo; Tantardini, Gian Franco

2009-12-31

Eley-Rideal formation of hydrogen molecules on graphite, as well as competing collision induced processes, are investigated quantum dynamically at typical interstellar cloud conditions, focusing in particular on gas-phase temperatures below 100 K, where much of the chemistry of the so-called diffuse clouds takes place on the surface of bare carbonaceous dust grains. Collisions of gas-phase hydrogen atoms with both chemisorbed and physisorbed species are considered using available potential energy surfaces (Sha et al., J. Chem. Phys.2002 116, 7158), and state-to-state, energy-resolved cross sections are computed for a number of initial vibrational states of the hydrogen atoms bound to the surface. Results show that (i) product molecules are internally hot in both cases, with vibrational distributions sharply peaked around few (one or two) vibrational levels, and (ii) cross sections for chemisorbed species are 2-3x smaller than those for physisorbed ones. In particular, we find that H(2) formation cross sections out of chemically bound species decrease steadily when the temperature drops below approximately 1000 K, and this is likely due to a quantum reflection phenomenon. This suggests that such Eley-Rideal reaction is all but efficient in the relevant gas-phase temperature range, even when gas-phase H atoms happen to chemisorb barrierless to the surface as observed, e.g., for forming so-called para dimers. Comparison with results from classical trajectory calculations highlights the need of a quantum description of the dynamics in the astrophysically relevant energy range, whereas preliminary results of an extensive first-principles investigation of the reaction energetics reveal the importance of the adopted substrate model.

Bar formation as driver of gas inflows in isolated disc galaxies

NASA Astrophysics Data System (ADS)

Fanali, R.; Dotti, M.; Fiacconi, D.; Haardt, F.

2015-12-01

Stellar bars are a common feature in massive disc galaxies. On a theoretical ground, the response of gas to a bar is generally thought to cause nuclear starbursts and, possibly, AGN activity once the perturbed gas reaches the central supermassive black hole. By means of high-resolution numerical simulations, we detail the purely dynamical effects that a forming bar exerts on the gas of an isolated disc galaxy. The galaxy is initially unstable to the formation of non-axisymmetric structures, and within ˜1 Gyr it develops spiral arms that eventually evolve into a central stellar bar on kpc scale. A first major episode of gas inflow occurs during the formation of the spiral arms while at later times, when the stellar bar is establishing, a low-density region is carved between the bar corotational and inner Lindblad resonance radii. The development of such `dead zone' inhibits further massive gas inflows. Indeed, the gas inflow reaches its maximum during the relatively fast bar-formation phase and not, as often assumed, when the bar is fully formed. We conclude that the low efficiency of long-lived, evolved bars in driving gas towards galactic nuclei is the reason why observational studies have failed to establish an indisputable link between bars and AGNs. On the other hand, the high efficiency in driving strong gas inflows of the intrinsically transient process of bar formation suggests that the importance of bars as drivers of AGN activity in disc galaxies has been overlooked so far. We finally prove that our conclusions are robust against different numerical implementations of the hydrodynamics routinely used in galaxy evolution studies.

Simulating Air-Entrapment in Low Permeability Mudrocks using a Macroscopic Invasion Percolation Model

NASA Astrophysics Data System (ADS)

Singh, A.; Holt, R. M.; Ramarao, B.; Clemo, T.

2011-12-01

Three radioactive waste disposal landfills at the Waste Control Specialists (WCS) facility in Andrews County, Texas are constructed below grade, within the low-permeability Dockum Group mudrocks (Cooper Canyon Formation) of Triassic age. Recent site investigations at the WCS disposal facilities indicate the presence of a trapped and compressed gas phase in the mudrocks. The Dockum is a low-permeability medium with vertical and horizontal effective hydraulic conductivities of 1.2E-9 cm/s and 2.9E-7 cm/s. The upper 300+ feet of the Dockum is in the unsaturated zone, with an average saturation of 0.87 and average capillary pressure of 2.8 MPa determined from core samples. Air entry pressures on core samples range from from 0.016 to 9.8 MPa, with a mean of 1.0 MPa. Heat dissipation sensors, thermocouple psychrometers, and advanced tensiometers installed in Dockum borehole arrays generally show capillary pressures one order of magnitude less than those measured on core samples. These differences with core data are attributed to the presence of a trapped and compressed gas phase within Dockum materials. In the vicinity of an instrumented borehole, the gas phase pressure equilibrates with atmospheric pressure, lowering the capillary pressure. We have developed a new macroscopic invasion percolation (MIP) model to illustrate the origin of the trapped gas phase in the Dockum rocks. An MIP model differs from invasion percolation (IP) through the definition of macro-scale capillarity. Individual pore throats and necks are not considered. Instead, a near pore-scale block is defined and characterized by a local threshold spanning pressure (a local block-scale breakthrough pressure) that represents the behavior of the subscale network. The model domain is discretized into an array of grid blocks with assigned spanning pressures. An invasion pressure for each block is then determined by the sum of spanning pressure, buoyance forces, and viscous forces. An IP algorithm sorts the invadable blocks, selects the block connected to the growing cluster with the lowest invasion pressure, and invades it. Our new MIP model incorporates several new features, including an efficient three-dimensional clustering algorithm; simultaneous invasion/reinvasion of water and air phases; hysteresis in water and air drainage curves; capability for distributed porosities and drainage parameters; and gas-phase compression and trapping. We apply this model in simulations representing the WCS site and illustrate the origin of the trapped and compressed gas phase in Dockum mudrocks.

The GA sulfur-iodine water-splitting process - A status report

NASA Astrophysics Data System (ADS)

Besenbruch, G. E.; Chiger, H. D.; McCorkle, K. H.; Norman, J. H.; Rode, J. S.; Schuster, J. R.; Trester, P. W.

The development of a sulfur-iodine thermal water splitting cycle is described. The process features a 50% thermal efficiency, plus all liquid and gas handling. Basic chemical investigations comprised the development of multitemperature and multistage sulfuric acid boost reactors, defining the phase behavior of the HI/I2/H2O/H3PO4 mixtures, and development of a decomposition process for hydrogen iodide in the liquid phase. Initial process engineering studies have led to a 47% efficiency, improvements of 2% projected, followed by coupling high-temperature solar concentrators to the splitting processes to reduce power requirements. Conceptual flowsheets developed from bench models are provided; materials investigations have concentrated on candidates which can withstand corrosive mixtures at temperatures up to 400 deg K, with Hastelloy C-276 exhibiting the best properties for containment and heat exchange to I2.

The GA sulfur-iodine water-splitting process - A status report

NASA Technical Reports Server (NTRS)

Besenbruch, G. E.; Chiger, H. D.; Mccorkle, K. H.; Norman, J. H.; Rode, J. S.; Schuster, J. R.; Trester, P. W.

1981-01-01

The development of a sulfur-iodine thermal water splitting cycle is described. The process features a 50% thermal efficiency, plus all liquid and gas handling. Basic chemical investigations comprised the development of multitemperature and multistage sulfuric acid boost reactors, defining the phase behavior of the HI/I2/H2O/H3PO4 mixtures, and development of a decomposition process for hydrogen iodide in the liquid phase. Initial process engineering studies have led to a 47% efficiency, improvements of 2% projected, followed by coupling high-temperature solar concentrators to the splitting processes to reduce power requirements. Conceptual flowsheets developed from bench models are provided; materials investigations have concentrated on candidates which can withstand corrosive mixtures at temperatures up to 400 deg K, with Hastelloy C-276 exhibiting the best properties for containment and heat exchange to I2.

Star formation in a hierarchical model for Cloud Complexes

NASA Astrophysics Data System (ADS)

Sanchez, N.; Parravano, A.

The effects of the external and initial conditions on the star formation processes in Molecular Cloud Complexes are examined in the context of a schematic model. The model considers a hierarchical system with five predefined phases: warm gas, neutral gas, low density molecular gas, high density molecular gas and protostars. The model follows the mass evolution of each substructure by computing its mass exchange with their parent and children. The parent-child mass exchange depends on the radiation density at the interphase, which is produced by the radiation coming from the stars that form at the end of the hierarchical structure, and by the external radiation field. The system is chaotic in the sense that its temporal evolution is very sensitive to small changes in the initial or external conditions. However, global features such as the star formation efficience and the Initial Mass Function are less affected by those variations.

Sensitivity analysis and economic optimization studies of inverted five-spot gas cycling in gas condensate reservoir

NASA Astrophysics Data System (ADS)

Shams, Bilal; Yao, Jun; Zhang, Kai; Zhang, Lei

2017-08-01

Gas condensate reservoirs usually exhibit complex flow behaviors because of propagation response of pressure drop from the wellbore into the reservoir. When reservoir pressure drops below the dew point in two phase flow of gas and condensate, the accumulation of large condensate amount occurs in the gas condensate reservoirs. Usually, the saturation of condensate accumulation in volumetric gas condensate reservoirs is lower than the critical condensate saturation that causes trapping of large amount of condensate in reservoir pores. Trapped condensate often is lost due to condensate accumulation-condensate blockage courtesy of high molecular weight, heavy condensate residue. Recovering lost condensate most economically and optimally has always been a challenging goal. Thus, gas cycling is applied to alleviate such a drastic loss in resources. In gas injection, the flooding pattern, injection timing and injection duration are key parameters to study an efficient EOR scenario in order to recover lost condensate. This work contains sensitivity analysis on different parameters to generate an accurate investigation about the effects on performance of different injection scenarios in homogeneous gas condensate system. In this paper, starting time of gas cycling and injection period are the parameters used to influence condensate recovery of a five-spot well pattern which has an injection pressure constraint of 3000 psi and production wells are constraint at 500 psi min. BHP. Starting injection times of 1 month, 4 months and 9 months after natural depletion areapplied in the first study. The second study is conducted by varying injection duration. Three durations are selected: 100 days, 400 days and 900 days. In miscible gas injection, miscibility and vaporization of condensate by injected gas is more efficient mechanism for condensate recovery. From this study, it is proven that the application of gas cycling on five-spot well pattern greatly enhances condensate recovery preventing financial, economic and resource loss that previously occurred.

Hybrid solar cells based on dc magnetron sputtered films of n-ITO on APMOVPE grown p-InP

NASA Technical Reports Server (NTRS)

Coutts, T. J.; Li, X.; Wanlass, M. W.; Emery, K. A.; Gessert, T. A.

1988-01-01

Hybrid indium-tin-oxide (ITO)/InP solar cells are discussed. The cells are constructed by dc magnetron sputter deposition of ITO onto high-quality InP films grown by atmospheric pressure metal-organic vapor-phase epitaxy (APMOVPE). A record efficiency of 18.9 percent, measured under standard Solar Energy Research Institute reporting conditions, has been obtained. The p-InP surface is shown to be type converted, principally by the ITO, but with the extent of conversion being modified by the nature of the sputtering gas. The deposition process, in itself, is not responsible for the type conversion. Dark currents have been suppressed by more than three orders of magnitude by the addition of hydrogen to the sputtering gas during deposition of a thin (5 nm) interface layer. Without this layer, and using only the more usual argon/oxygen mixture, the devices had poorer efficiencies and were unstable. A discussion of associated quantum efficiencies and capacitance/voltage measurements is also presented from which it is concluded that further improvements in efficiency will result from better control over the type-conversion process.

Some Fundamental Experiments on Apparent Dissolution Rate of Gas Phase in the Groundwater Recovery Processes of the Geological Disposal System - 12146

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoshii, Taiki; Niibori, Yuichi; Mimura, Hitoshi

The apparent dissolution rates of gas phase in the co-presence of solid phase were examined by in-room experiments in this study. The apparent dissolution rate of gas phase q (mol/m{sup 3}.s) was generally defined by q=aK{sub L}(γP{sub g}-c), where a (1/m) is specific surface area of the interface between gas and liquid phases, K{sub L} (m/s) is overall mass transfer coefficient, γ (mol/(Pa.m{sup 3})) is reciprocal number of Henry constant, P{sub g} (Pa) is partial pressure of gas phase, and c (mol/m{sup 3}) is the concentration of gas component in liquid phase. As a model gas, CO{sub 2} gas wasmore » used. For evaluating the values of K{sub L}, this study monitored pH or the migration rate of the interface between water/gas phases, using some experiments such as the packed beds and the micro channel consisting of granite chip and rubber sheet including a slit. In the results, the values of K{sub L} were distributed in the range from 5.0x10{sup -6} m/s to 5.0x10{sup -7} m/s. These values were small, in comparison with that (7.8x10{sup -4} m/s) obtained from the bubbling test where gas phase was continually injected into deionized water without solid phase. This means that the solid phase limits the local mixing of water phase near gas-liquid interfaces. (authors)« less

3D CFD Modeling of the LMF System: Desulfurization Kinetics

NASA Astrophysics Data System (ADS)

Cao, Qing; Pitts, April; Zhang, Daojie; Nastac, Laurentiu; Williams, Robert

A fully transient 3D CFD modeling approach capable of predicting the three phase (gas, slag and steel) fluid flow characteristics and behavior of the slag/steel interface in the argon gas bottom stirred ladle with two off-centered porous plugs (Ladle Metallurgical Furnace or LMF) has been recently developed. The model predicts reasonably well the fluid flow characteristics in the LMF system and the observed size of the slag eyes for both the high-stirring and low-stirring conditions. A desulfurization reaction kinetics model considering metal/slag interface characteristics is developed in conjunction with the CFD modeling approach. The model is applied in this study to determine the effects of processing time, and gas flow rate on the efficiency of desulfurization in the studied LMF system.

A New Dry Flue Gas Desulfurization Process-Underfeed Circulating Spouted Bed

NASA Astrophysics Data System (ADS)

Tao, M.; Jin, B. S.; Yang, Y. P.

Applying an underfeed system, the underfeed circulating spouted bed was designed as a desulfurization reactor. The main objective of the technology is to improve the mixing effect and distribution uniformity of solid particles, and therefore to advance the desulfurization efficiency and calcium utility. In this article, a series of experimental studies were conducted to investigate the fluidization behavior of the solid-gas two-phase flow in the riser. The results show that the technology can distinctly improve the distribution of gas velocity and particle flux on sections compared with the facefeed style. Analysis of pressure fluctuation signals indicates that the operation parameters have significant influence on the flow field in the reaction bed. The existence of injecting flow near the underfeed nozzle has an evident effect on strengthening the particle mixing.

[Treatment of Flue Gas from Sludge Drying Process by A Thermophilic Biofilter].

PubMed

Chen, Wen-he; Deng, Ming-jia; Luo, Hui; Ding, Wen-iie; Li, Lin; Lin, Jian; Liu, Jun-xin

2016-01-15

A thermophilic biofilter was employed to treat the flue gas generated from sludge drying process, and the performance in both the start period and the stationary phase was studied under the gas flow rate of 2 700-3 100 m3 x h(-1) and retention time of 21.88-25.10 s. The results showed that the thermophilic biofilter could effectively treat gases containing sulfur dioxide, ammonia and volatile organic compounds (VOC). The removal efficiencies could reach 100%, 93.61% and 87.01%, respectively. Microbial analysis indicated that most of the population belonged to thermophilic bacteria. Paenibacillus sp., Chelatococcus sp., Bacillus sp., Clostridium thermosuccinogenes, Pseudoxanthomonas sp. and Geobacillus debilis which were abundant in the thermophilic biofilter, had the abilities of denitrification, desulfurization and degradation of volatile organic compounds.

Hierarchical Leak Detection and Localization Method in Natural Gas Pipeline Monitoring Sensor Networks

PubMed Central

Wan, Jiangwen; Yu, Yang; Wu, Yinfeng; Feng, Renjian; Yu, Ning

2012-01-01

In light of the problems of low recognition efficiency, high false rates and poor localization accuracy in traditional pipeline security detection technology, this paper proposes a type of hierarchical leak detection and localization method for use in natural gas pipeline monitoring sensor networks. In the signal preprocessing phase, original monitoring signals are dealt with by wavelet transform technology to extract the single mode signals as well as characteristic parameters. In the initial recognition phase, a multi-classifier model based on SVM is constructed and characteristic parameters are sent as input vectors to the multi-classifier for initial recognition. In the final decision phase, an improved evidence combination rule is designed to integrate initial recognition results for final decisions. Furthermore, a weighted average localization algorithm based on time difference of arrival is introduced for determining the leak point’s position. Experimental results illustrate that this hierarchical pipeline leak detection and localization method could effectively improve the accuracy of the leak point localization and reduce the undetected rate as well as false alarm rate. PMID:22368464

Hierarchical leak detection and localization method in natural gas pipeline monitoring sensor networks.

PubMed

Wan, Jiangwen; Yu, Yang; Wu, Yinfeng; Feng, Renjian; Yu, Ning

2012-01-01

In light of the problems of low recognition efficiency, high false rates and poor localization accuracy in traditional pipeline security detection technology, this paper proposes a type of hierarchical leak detection and localization method for use in natural gas pipeline monitoring sensor networks. In the signal preprocessing phase, original monitoring signals are dealt with by wavelet transform technology to extract the single mode signals as well as characteristic parameters. In the initial recognition phase, a multi-classifier model based on SVM is constructed and characteristic parameters are sent as input vectors to the multi-classifier for initial recognition. In the final decision phase, an improved evidence combination rule is designed to integrate initial recognition results for final decisions. Furthermore, a weighted average localization algorithm based on time difference of arrival is introduced for determining the leak point's position. Experimental results illustrate that this hierarchical pipeline leak detection and localization method could effectively improve the accuracy of the leak point localization and reduce the undetected rate as well as false alarm rate.

Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers.

PubMed

Yang, Xiaohong; Li, Changxia; Qi, Meiling; Qu, Liangti

2016-08-19

This work presents the separation performance of graphene-ZIF8 (G-Z) composite material as stationary phase for capillary gas chromatography (GC). The G-Z stationary phase achieved high column efficiency of 5000 plates/m determined by n-dodecane (k=1.22) at 120°C and showed weakly polar nature. Importantly, it exhibited high selectivity and resolving capability for branched alkane isomers and aromatic positional isomers, showing clear advantages over the reported neat graphene and ZIF8. In addition, it attained high resolution for geometric cis-/trans-isomers. The G-Z column exhibited good column thermal stability up to 300°C and column repeatability with RSD values of retention times in the range of 0.01-0.19% for intra-day, 0.05-0.88% for inter-day and 0.66-5.6% for between-column, respectively, Moreover, the G-Z column was employed for the determination of minor impurity isomers in real reagent samples, which demonstrates its promising potential in GC applications. Copyright © 2016 Elsevier B.V. All rights reserved.

π-Extended triptycene-based material for capillary gas chromatographic separations.

PubMed

Yang, Yinhui; Wang, Qinsi; Qi, Meiling; Huang, Xuebin

2017-10-02

Triptycene-based materials feature favorable physicochemical properties and unique molecular recognition ability that offer good potential as stationary phases for capillary gas chromatography (GC). Herein, we report the investigation of utilizing a π-extended triptycene material (denoted as TQPP) for GC separations. As a result, the TQPP capillary column exhibited high column efficiency of 4030 plates m -1 and high-resolution performance for a wide range of analytes, especially structural and positional isomers. Interestingly, the TQPP stationary phase showed unique shape selectivity for alkanes isomers and preferential retention for analytes with halogen atoms and H-bonding nature mainly through their halogen-bonding and H-bonding interactions. In addition, the TQPP column had good repeatability and reproducibility with the RSD values of 0.02-0.34% for run-to-run, 0.09-0.80% for day-to-day and 1.4-5.2% for column-to-column, respectively, and favorable thermal stability up to 280 °C. This work demonstrates the promising future of triptycene-based materials as a new class of stationary phases for GC separations. Copyright © 2017 Elsevier B.V. All rights reserved.

Production of Hydrogen by Superadiabatic Decomposition of Hydrogen Sulfide - Final Technical Report for the Period June 1, 1999 - September 30, 2000

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rachid B. Slimane; Francis S. Lau; Javad Abbasian

2000-10-01

The objective of this program is to develop an economical process for hydrogen production, with no additional carbon dioxide emission, through the thermal decomposition of hydrogen sulfide (H{sub 2}S) in H{sub 2}S-rich waste streams to high-purity hydrogen and elemental sulfur. The novel feature of the process being developed is the superadiabatic combustion (SAC) of part of the H{sub 2}S in the waste stream to provide the thermal energy required for the decomposition reaction such that no additional energy is required. The program is divided into two phases. In Phase 1, detailed thermochemical and kinetic modeling of the SAC reactor withmore » H{sub 2}S-rich fuel gas and air/enriched air feeds is undertaken to evaluate the effects of operating conditions on exit gas products and conversion efficiency, and to identify key process parameters. Preliminary modeling results are used as a basis to conduct a thorough evaluation of SAC process design options, including reactor configuration, operating conditions, and productivity-product separation schemes, with respect to potential product yields, thermal efficiency, capital and operating costs, and reliability, ultimately leading to the preparation of a design package and cost estimate for a bench-scale reactor testing system to be assembled and tested in Phase 2 of the program. A detailed parametric testing plan was also developed for process design optimization and model verification in Phase 2. During Phase 2 of this program, IGT, UIC, and industry advisors UOP and BP Amoco will validate the SAC concept through construction of the bench-scale unit and parametric testing. The computer model developed in Phase 1 will be updated with the experimental data and used in future scale-up efforts. The process design will be refined and the cost estimate updated. Market survey and assessment will continue so that a commercial demonstration project can be identified.« less

Size and density sorting of dust grains in SPH simulations of protoplanetary discs

NASA Astrophysics Data System (ADS)

Pignatale, F. C.; Gonzalez, J.-F.; Cuello, Nicolas; Bourdon, Bernard; Fitoussi, Caroline

2017-07-01

The size and density of dust grains determine their response to gas drag in protoplanetary discs. Aerodynamical (size × density) sorting is one of the proposed mechanisms to explain the grain properties and chemical fractionation of chondrites. However, the efficiency of aerodynamical sorting and the location in the disc in which it could occur are still unknown. Although the effects of grain sizes and growth in discs have been widely studied, a simultaneous analysis including dust composition is missing. In this work, we present the dynamical evolution and growth of multicomponent dust in a protoplanetary disc using a 3D, two-fluid (gas+dust) smoothed particle hydrodynamics code. We find that the dust vertical settling is characterized by two phases: a density-driven phase that leads to a vertical chemical sorting of dust and a size-driven phase that enhances the amount of lighter material in the mid-plane. We also see an efficient radial chemical sorting of the dust at large scales. We find that dust particles are aerodynamically sorted in the inner disc. The disc becomes sub-solar in its Fe/Si ratio on the surface since the early stage of evolution but sub-solar Fe/Si can be also found in the outer disc-mid-plane at late stages. Aggregates in the disc mimic the physical and chemical properties of chondrites, suggesting that aerodynamical sorting played an important role in determining their final structure.

Leo P: How Many Metals Can a Very Low Mass, Isolated Galaxy Retain?

NASA Astrophysics Data System (ADS)

McQuinn, Kristen B. W.; Skillman, Evan D.; Dolphin, Andrew; Cannon, John M.; Salzer, John J.; Rhode, Katherine L.; Adams, Elizabeth A. K.; Berg, Danielle; Giovanelli, Riccardo; Haynes, Martha P.

2015-12-01

Leo P is a gas-rich dwarf galaxy with an extremely low gas-phase oxygen abundance (3% solar). The isolated nature of Leo P enables a quantitative measurement of metals lost solely due to star formation feedback. We present an inventory of the oxygen atoms in Leo P based on the gas-phase oxygen abundance measurement, the star formation history (SFH), and the chemical enrichment evolution derived from resolved stellar populations. The SFH also provides the total amount of oxygen produced. Overall, Leo P has retained 5% of its oxygen; 25% of the retained oxygen is in the stars while 75% is in the gas phase. This is considerably lower than the 20%-25% calculated for massive galaxies, supporting the trend for less efficient metal retention for lower-mass galaxies. The retention fraction is higher than that calculated for other alpha elements (Mg, Si, Ca) in dSph Milky Way satellites of similar stellar mass and metallicity. Accounting only for the oxygen retained in stars, our results are consistent with those derived for the alpha elements in dSph galaxies. Thus, under the assumption that the dSph galaxies lost the bulk of their gas mass through an environmental process such as tidal stripping, the estimates of retained metal fractions represent underestimates by roughly a factor of four. Because of its isolation, Leo P provides an important datum for the fraction of metals lost as a function of galaxy mass due to star formation. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained from the Data Archive at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555.

Further Testing of an Amine-based Pressure-Swing System for Carbon Dioxide and Humidity Control

NASA Technical Reports Server (NTRS)

Lin, Amy; Smith, Frederick; Sweterlitsch, Jeffrey; Nalette, Tim A.; Papale, William

2008-01-01

In a crewed spacecraft environment, atmospheric carbon dioxide (CO2) and moisture control are crucial. Hamilton Sundstrand has developed a stable and efficient amine-based CO2 and water vapor sorbent, SA9T, that is well suited for use in a spacecraft environment. The sorbent is efficiently packaged in pressure-swing regenerable beds that are thermally linked to improve removal efficiency and minimize vehicle thermal loads. Flows are all controlled with a single spool valve. This technology has been baselined for the new Orion spacecraft. However, more data was needed on the operational characteristics of the package in a simulated spacecraft environment. A unit was therefore tested with simulated metabolic loads in a closed chamber at Johnson Space Center during the last third of 2006. Those test results were reported in a 2007 ICES paper. A second test article was incorporated for a third phase of testing, and that test article was modified to allow pressurized gas purge regeneration on the launch pad in addition to the standard vacuum regeneration in space. Metabolic rates and chamber volumes were also adjusted to reflect current programmatic standards. The third phase of tests was performed during the spring and summer of 2007. Tests were run with a range of operating conditions, varying: cycle time, vacuum pressure (or purge gas flow rate), air flow rate, and crew activity levels. Results of this testing are presented and potential flight operational strategies discussed.

Carbon nanotubes@silicon dioxide nanohybrids coating for solid-phase microextraction of organophosphorus pesticides followed by gas chromatography-corona discharge ion mobility spectrometric detection.

PubMed

Saraji, Mohammad; Jafari, Mohammad Taghi; Mossaddegh, Mehdi

2016-01-15

A high efficiency solid-phase microextraction (SPME) fiber coated with porous carbon nanotubes-silicon dioxide (CNTs-SiO2) nanohybrids was synthesized and applied for the determination of some organophosphorus pesticides (OPPs) in vegetables, fruits and water samples. Gas chromatography-corona discharge ion mobility spectrometry was used as the detection system. Glucose, as a biocompatible compound, was used for connecting CNT and SiO2 during a hydrothermal process. The electrospinning technique was also applied for the fiber preparation. The parameters affecting the efficiency of extraction, including stirring rate, salt effect, extraction temperature, extraction time, desorption temperature and desorption time, were investigated and optimized. The developed CNTs@SiO2 fiber presented better extraction efficiency than the commercial SPME fibers (PA, PDMS, and PDMS-DVB). The intra- and inter-day relative standard deviations were found to be lower than 6.2 and 9.0%, respectively. For water samples, the limits of detection were in the range of 0.005-0.020 μg L(-1) and the limits of quantification were between 0.010 and 0.050 μg L(-1). The results showed a good linearity in the range of 0.01-3.0 μg L(-1) for the analytes. The spiking recoveries ranged from 79 (± 9) to 99 (± 8). The method was successfully applied for the determination of OPPs in real samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT).

PubMed

Maurer, Reinhard J; Reuter, Karsten

2013-07-07

Accurate and efficient simulation of excited state properties is an important and much aspired cornerstone in the study of adsorbate dynamics on metal surfaces. To this end, the recently proposed linear expansion Δ-self-consistent field method by Gavnholt et al. [Phys. Rev. B 78, 075441 (2008)] presents an efficient alternative to time consuming quasi-particle calculations. In this method, the standard Kohn-Sham equations of density-functional theory are solved with the constraint of a non-equilibrium occupation in a region of Hilbert-space resembling gas-phase orbitals of the adsorbate. In this work, we discuss the applicability of this method for the excited-state dynamics of metal-surface mounted organic adsorbates, specifically in the context of molecular switching. We present necessary advancements to allow for a consistent quality description of excited-state potential-energy surfaces (PESs), and illustrate the concept with the application to Azobenzene adsorbed on Ag(111) and Au(111) surfaces. We find that the explicit inclusion of substrate electronic states modifies the topologies of intra-molecular excited-state PESs of the molecule due to image charge and hybridization effects. While the molecule in gas phase shows a clear energetic separation of resonances that induce isomerization and backreaction, the surface-adsorbed molecule does not. The concomitant possibly simultaneous induction of both processes would lead to a significantly reduced switching efficiency of such a mechanism.

Distortion of liquid film discharging from twin-fluid atomizer

NASA Astrophysics Data System (ADS)

Mehring, C.; Sirignano, W. A.

2001-11-01

The nonlinear distortion and disintegration of a thin liquid film exiting from a two-dimensional twin-fluid atomizer is analyzed numerically. Pulsed gas jets impacting on both sides of the discharging liquid film at the atomizer exit generate dilational and/or sinuous deformations of the film. Both liquid phase and gas phase are inviscid and incompressible. For the liquid phase the so-called long-wavelength approximation is employed yielding a system of unsteady one-dimensional equations for the planar film. Solution of Laplace's equation for the velocity potential yields the gas-phase velocity field on both sides of the liquid stream. Coupling between both phases is described through kinematic and dynamic boundary conditions at the phase interfaces, and includes the solution of the unsteady Bernoulli equation to determine the gas-phase pressure along the interfaces. Both gas- and liquid-phase equations are solved simultaneously. Solution of Laplace's equation for the gas streams is obtained by means of a boundary-element method. Numerical solutions for the liquid phase use the Lax-Wendroff method with Richtmyer splitting. Sheet distortion resulting from the stagnation pressure of the impacting gas jets and subsequent disturbance amplification due to Kelvin-Helmholtz effects are studied for various combinations of gas-pulse timing, gas-jet impact angles, gas-to-liquid-density ratio, liquid-phase Weber number and gas-jet-to-liquid-jet-momentum ratio. Dilational and sinuous oscillations of the liquid are examined and film pinch-off is predicted.

Research, Development, and Field Testing of Thermochemical Recuperation for High Temperature Furnace

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kurek, Harry; Kozlov, Aleksandr

Gas Technology Institute (GTI) evaluated the technical and economic feasibility of utilizing a non-catalytic ThermoChemical Recuperation System (TCRS) to recover a significant amount of energy from the waste gases of natural gas fired steel reheat furnaces. The project was related to DOE-AMO’s (formerly known as ITP) one of the technical areas of interest: Technologies to improve energy efficiency and reduce the carbon footprint of equipment currently used in energy-intensive industries such as iron and steel, and reduce by at least 30% energy consumption and carbon dioxide emission compared to the conventional technologies. ThermoChemical Recuperation (TCR) is a technique that recoversmore » sensible heat in the exhaust gas from an industrial process, furnace, engine etc., when a hydrocarbon fuel is used for combustion. TCR enables waste heat recovery by both combustion air preheat and hydrocarbon fuel (natural gas, for example) reforming into a higher calorific fuel. The reforming process uses hot flue gas components (H2O and CO2) or steam to convert the fuel into a combustible mixture of hydrogen (H2), carbon monoxide (CO), and some unreformed hydrocarbons (CnHm). Reforming of natural gas with recycled exhaust gas or steam can significantly reduce fuel consumption, CO2 emissions and cost as well as increase process thermal efficiency. The calorific content of the fuel can be increased by up to ~28% with the TCR process if the original source fuel is natural gas. In addition, the fuel is preheated during the TCR process adding sensible heat to the fuel. The Research and Development work by GTI was proposed to be carried out in three Phases (Project Objectives). • Phase I: Develop a feasibility study consisting of a benefits-derived economic evaluation of a ThermoChemical Recuperation (TCR) concept with respect to high temperature reheat furnace applications within the steel industry (and cross-cutting industries). This will establish the design parameters and potential performance of TCR. • Phase II: Conduct research and development to take the validated technology concept from Phase I to a developmental state for a Phase 3, prototype field test. • Phase III: Design, fabricate, and prototype field testing of the TCR unit close coupled to an existing high temperature reheat furnace at a steel company for evaluation under industrial conditions The project was initiated on September 30, 2008. The report of Phase I results and conclusions was issued on October 30, 2009. The findings were reviewed by the project partners and the collective recommendation was to proceed with Phase II. Upon the work-conclusion, the Phase II report was issued on March 5, 2012. The scope of work involved the physical testing of a laboratory scale Recuperative Reformer (RR) to validate predicted performances from the feasibility study in Phase I (26% fuel reduction). Although the testing was a successful validation (21% fuel reduction mode), a technical issue 5 arose, namely a Methane Reforming Rate (MRR) roll off or non-sustaining of the methane reforming rate. GTI’s preliminary conclusions were that mechanism(s) producing the methane reforming rate reduction were not entirely known or understood and the chemical kinetics that triggered the roll off mechanism and/or other mechanisms needed to be further evaluated. GTI developed a plan to uncover the reason(s) for not sustaining a satisfactory Methane Reforming Rate (MRR) of the laboratory scale recuperator reformer (RR). The extended testing program consisted primarily of four tasks based on expected outcomes at that time. The project partners reviewed the proposal and recommended the proposed work extension to proceed and suspension of Phase III pending further review of the results of this work identified as Task 2.5. Additional Temperature Threshold Testing was undertaken by GTI and simultaneously independent analysis was carried out by the University of California Davis. Upon completion of the work, the Phase II - Task 2.5 - Extended TCR Testing Report was issued on July 10, 2013. As a result of the work performed in Phase II, Task 2.5, the end conclusion was that temperature dependency has been affirmed, but with temperatures within the recuperative reformer with higher criticality than the flue gas temperature entering into the recuperative reformer. GTI’s further conclusion is that adjustments to the lab recuperative reformer design, given the three-heat exchanger-configuration, remains a valid constraint, and therefore, it would be necessary to scale up to a field experiment capacity level. Design modifications to the recuperative reformer would likely be necessary requiring re-examining space velocity (residence time), heat transfer surface area, plus other considerations, so that a target “temperature profile envelope” within the recuperative reformer would be broad enough to perform satisfactorily in the field with varying flue gas exit temperatures from the majority of the reheat furnace population. A project review meeting was held with the project partners July 17, 2013. Task 2.5 results were reviewed along with the conclusions and recommendations. GTI proposed three field experiment options for Phase III. On the basis of successful sets of Temperature Threshold Tests (TTT), measured results demonstrated that the current design can capably be scaled up and GTI recommended consideration of these three options for a Phase III field experiment. Option 1: Production furnace ~250 MMBtu/h Option 2: Production furnace ~100 - 200 MMBtu/h Option 3: Production furnace ~50 - 100 MMBtu/h The project partners’ resulting unanimous recommendation was to provisionally proceed with Phase 3 – Option 3. Subsequently, after further deliberation, review and analysis of their respective field experiment sites, the three steel industry partners determined not to continue to Phase III of the project for both technical reasons and reasons of process economics, i.e., limited applicability of TCR technology due to higher exhaust gas temperature ranges and sensitivity to natural gas prices. As of this report, the current natural gas price is lower than the $6.03 per 6 MMBtu projected to return positive NPVs for implementing TCR technology. Accordingly, the project work was terminated effective December 31, 2013.« less

[Characteristics and mechanism of sodium removal by the synergistic action of flue gas and waste solid].

PubMed

Yi, Yuan-Rong; Han, Min-Fang

2012-07-01

The carbon dioxide (CO2) in flue gas was used to remove the sodium in the red mud (RM) , a kind of alkaline solid waste generated during alumina production. The reaction characteristics and mechanism of sodium removal by the synergistic action of CO2 and RM were studied with different medium pH, reaction time and temperature. It was demonstrated that the remove of sodium by RM was actually the result of the synergistic action of sodium-based solid waste in RM with the CO2-H2O and OH(-)-CO2 systems. The sodium removal efficiency was correlated with pH, reaction temperature and time. The characteristics of RM before and after sodium removal were analyzed using X-ray diffractometer (XRD) and scanning electron microscope (SEM), and the results showed that the alkaline materials in the red mud reacted with CO2 and the sodium content in solid phases decreased significantly after reaction. The sodium removal efficiency could reach up to 70% with scientific procedure. The results of this research will offer an efficient way for low-cost sodium removal.

Development of a trickle bed reactor of electro-Fenton process for wastewater treatment.

PubMed

Lei, Yangming; Liu, Hong; Shen, Zhemin; Wang, Wenhua

2013-10-15

To avoid electrolyte leakage and gas bubbles in the electro-Fenton (E-Fenton) reactors using a gas diffusion cathode, we developed a trickle bed cathode by coating a layer composed of carbon black and polytetrafluoroethylene (C-PTFE) onto graphite chips instead of carbon cloth. The trickle bed cathode was optimized by single-factor and orthogonal experiments, in which carbon black, PTFE, and a surfactant were considered as the determinant of the performance of graphite chips. In the reactor assembled by the trickle bed cathode, H2O2 was generated with a current of 0.3A and a current efficiency of 60%. This performance was attributed to the fine distribution of electrolyte and air, as well as the effective oxygen transfer from the gas phase to the electrolyte-cathode interface. In terms of H2O2 generation and current efficiency, the developed trickle bed reactor had a performance comparable to that of the conventional E-Fenton reactor using a gas diffusion cathode. Further, 123 mg L(-1) of reactive brilliant red X-3B in aqueous solution was decomposed in the optimized trickle bed reactor as E-Fenton reactor. The decolorization ratio reached 97% within 20 min, and the mineralization reached 87% within 3h. Copyright © 2013 Elsevier B.V. All rights reserved.

Development of fluorous lipid-based nanobubbles for efficiently containing perfluoropropane.

PubMed

Oda, Yusuke; Suzuki, Ryo; Mori, Tatsuya; Takahashi, Hideyo; Natsugari, Hideaki; Omata, Daiki; Unga, Johan; Uruga, Hitoshi; Sugii, Mutsumi; Kawakami, Shigeru; Higuchi, Yuriko; Yamashita, Fumiyoshi; Hashida, Mitsuru; Maruyama, Kazuo

2015-06-20

Nano-/microbubbles are expected not only to function as ultrasound contrast agents but also as ultrasound-triggered enhancers in gene and drug delivery. Notably, nanobubbles have the ability to pass through tumor vasculature and achieve passive tumor targeting. Thus, nanobubbles would be an attractive tool for use as ultrasound-mediated cancer theranostics. However, the amounts of gas carried by nanobubbles are generally lower than those carried by microbubbles because nanobubbles have inherently smaller volumes. In order to reduce the injection volume and to increase echogenicity, it is important to develop nanobubbles with higher gas content. In this study, we prepared 5 kinds of fluoro-lipids and used these reagents as surfactants to generate "Bubble liposomes", that is, liposomes that encapsulate nanobubbles such that the lipids serve as stabilizers between the fluorous gas and water phases. Bubble liposome containing 1-stearoyl-2-(18,18-difluoro)stearoyl-sn-glycero-3-phosphocholine carried 2-fold higher amounts of C3F8 compared to unmodified Bubble liposome. The modified Bubble liposome also exhibited increased echogenicity by ultrasonography. These results demonstrated that the inclusion of fluoro-lipid is a promising tool for generating nanobubbles with increased efficiency of fluorous gas carrier. Copyright © 2015 Elsevier B.V. All rights reserved.

Intermediate mass black holes in AGN discs - I. Production and growth

NASA Astrophysics Data System (ADS)

McKernan, B.; Ford, K. E. S.; Lyra, W.; Perets, H. B.

2012-09-01

Here we propose a mechanism for efficiently growing intermediate mass black holes (IMBH) in discs around supermassive black holes. Stellar mass objects can efficiently agglomerate when facilitated by the gas disc. Stars, compact objects and binaries can migrate, accrete and merge within discs around supermassive black holes. While dynamical heating by cusp stars excites the velocity dispersion of nuclear cluster objects (NCOs) in the disc, gas in the disc damps NCO orbits. If gas damping dominates, NCOs remain in the disc with circularized orbits and large collision cross-sections. IMBH seeds can grow extremely rapidly by collisions with disc NCOs at low relative velocities, allowing for super-Eddington growth rates. Once an IMBH seed has cleared out its feeding zone of disc NCOs, growth of IMBH seeds can become dominated by gas accretion from the active galactic nucleus (AGN) disc. However, the IMBH can migrate in the disc and expand its feeding zone, permitting a super-Eddington accretion rate to continue. Growth of IMBH seeds via NCO collisions is enhanced by a pile-up of migrators. We highlight the remarkable parallel between the growth of IMBH in AGN discs with models of giant planet growth in protoplanetary discs. If an IMBH becomes massive enough it can open a gap in the AGN disc. IMBH migration in AGN discs may stall, allowing them to survive the end of the AGN phase and remain in galactic nuclei. Our proposed mechanisms should be more efficient at growing IMBH in AGN discs than the standard model of IMBH growth in stellar clusters. Dynamical heating of disc NCOs by cusp stars is transferred to the gas in an AGN disc helping to maintain the outer disc against gravitational instability. Model predictions, observational constraints and implications are discussed in a companion paper (Paper II).

Toward a Deterministic Model of Planetary Formation. IV. Effects of Type I Migration

NASA Astrophysics Data System (ADS)

Ida, S.; Lin, D. N. C.

2008-01-01

In a further development of a deterministic planet formation model (Ida & Lin), we consider the effect of type I migration of protoplanetary embryos due to their tidal interaction with their nascent disks. During the early phase of protostellar disks, although embryos rapidly emerge in regions interior to the ice line, uninhibited type I migration leads to their efficient self-clearing. But embryos continue to form from residual planetesimals, repeatedly migrate inward, and provide a main channel of heavy-element accretion onto their host stars. During the advanced stages of disk evolution (a few Myr), the gas surface density declines to values comparable to or smaller than that of the minimum mass nebula model, and type I migration is no longer effective for Mars-mass embryos. Over wide ranges of initial disk surface densities and type I migration efficiencies, the surviving population of embryos interior to the ice line has a total mass of several M⊕. With this reservoir, there is an adequate inventory of residual embryos to subsequently assemble into rocky planets similar to those around the Sun. However, the onset of efficient gas accretion requires the emergence and retention of cores more massive than a few M⊕ prior to the severe depletion of the disk gas. The formation probability of gas giant planets and hence the predicted mass and semimajor axis distributions of extrasolar gas giants are sensitively determined by the strength of type I migration. We suggest that the distributions consistent with observations can be reproduced only if the actual type I migration timescale is at least an order of magnitude longer than that deduced from linear theories.

Coalbed methane accumulation and dissipation patterns: A Case study of the Junggar Basin, NW China

NASA Astrophysics Data System (ADS)

Li, Xin; Fu, Xuehai; Yang, Xuesong; Ge, Yanyan; Quan, Fangkai

2018-07-01

The Junggar Basin is a potential replacement area of coalbed methane (CBM) development in China. To improve the efficiency of CBM exploration, we investigated CBM accumulation and dissipation patterns of coal profiles located in the northwestern, southern, eastern, and central Junggar Basin based on the following criteria: burial depth, hydrogeological zone, CBM origin, CBM phase, and CBM migration type. We identified four types of CBM accumulation patterns: (1) a self-sourcing CBM pattern containing adsorbed gas of biogenic origin from shallow-depth coal within a weak runoff zone; (2) an endogenic migration pattern containing adsorbed gas of thermogenic origin from the medium and deep coals within a stagnant zone; (3) an exogenic migration pattern containing adsorbed gas of thermogenic origin from deep coal within a stagnant zone; and (4) an exogenic migration pattern containing adsorbed and free gas of thermogenic origin from ultra-deep coal within a stagnant zone. We also identified two types of CBM dissipation patterns: (1) shallow-depth coal within a runoff zone with mixed origin CBM; and (2) shallow and medium-deep coal seams with mixed origin CBM. CBM migration in low-rank coals was more substantial than that adsorbed in high-rank coal. CBM in shallow coal could easily escape, in the absence of closed structures or hydrogeological seals. CBM reservoirs occurred in deep coal where oversaturated gas may accumulate. Future exploration should focus on gas-water sealing structures in shallow coalbeds. CBM that occurred in adsorbed and free phases and other unconventional natural gas dominated by free gas in the coal stratum should be co-explored and co-developed.

Pre-Combustion Carbon Dioxide Capture by a New Dual Phase Ceramic-Carbonate Membrane Reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Jerry Y. S.

2015-01-31

This report documents synthesis, characterization and carbon dioxide permeation and separation properties of a new group of ceramic-carbonate dual-phase membranes and results of a laboratory study on their application for water gas shift reaction with carbon dioxide separation. A series of ceramic-carbonate dual phase membranes with various oxygen ionic or mixed ionic and electronic conducting metal oxide materials in disk, tube, symmetric, and asymmetric geometric configurations was developed. These membranes, with the thickness of 10 μm to 1.5 mm, show CO 2 permeance in the range of 0.5-5×10 -7 mol·m -2·s -1·Pa -1 in 500-900°C and measured CO 2/N 2more » selectivity of up to 3000. CO 2 permeation mechanism and factors that affect CO 2 permeation through the dual-phase membranes have been identified. A reliable CO 2 permeation model was developed. A robust method was established for the optimization of the microstructures of ceramic-carbonate membranes. The ceramic-carbonate membranes exhibit high stability for high temperature CO 2 separations and water gas shift reaction. Water gas shift reaction in the dual-phase membrane reactors was studied by both modeling and experiments. It is found that high temperature syngas water gas shift reaction in tubular ceramic-carbonate dual phase membrane reactor is feasible even without catalyst. The membrane reactor exhibits good CO 2 permeation flux, high thermal and chemical stability and high thermal shock resistance. Reaction and separation conditions in the membrane reactor to produce hydrogen of 93% purity and CO 2 stream of >95% purity, with 90% CO 2 capture have been identified. Integration of the ceramic-carbonate dual-phase membrane reactor with IGCC process for carbon dioxide capture was analyzed. A methodology was developed to identify optimum operation conditions for a membrane tube of given dimensions that would treat coal syngas with targeted performance. The calculation results show that the dual-phase membrane reactor could improve IGCC process efficiency but the cost of the membrane reactor with membranes having current CO 2 permeance is high. Further research should be directed towards improving the performance of the membranes and developing cost-effective, scalable methods for fabrication of dual-phase membranes and membrane reactors.« less

Scavenging ratio of polycyclic aromatic compounds in rain and snow at the Athabasca oil sands region

NASA Astrophysics Data System (ADS)

Zhang, L.; Cheng, I.; Muir, D.; Charland, J.-P.

2014-07-01

Athabasca oil sands industry in northern Alberta, Canada is a possible source of polycyclic aromatic compounds (PACs). Monitored PACs, including polycyclic aromatic hydrocarbons (PAHs), alkylated PAHs, and dibenzothiophenes, in precipitation and in air at three near-source sites in the Fort MacKay and Fort McMurray area during May 2011 to August 2012 were analyzed to generate a database of scavenging (or washout) ratios (Wt) for PACs scavenged by both snow and rain. Median precipitation and air concentrations of parent PAHs over the May 2011 to August 2012 period ranged from 0.3-184.9 (chrysene) ng L-1 and 0.01-3.9 (naphthalene) ng m-3, respectively, which were comparable to literature values. Higher concentrations in precipitation and air were observed for alkylated PAHs and dibenzothiophenes. The median precipitation and air concentrations were 11.3-646.7 (C3-fluoranthene/pyrene) ng L-1 and 0.21-16.9 (C3-naphthalene) ng m-3, respectively, for alkylated PAHs, and 8.5-530.5 (C4-dibenzothiophene) ng L-1 and 0.13-6.6 (C2-dibenzothiophene) ng m-3 for dibenzothiophenes and their alkylated derivatives. Median Wt over the measurement period were 6100-1.1 × 106 from snow scavenging and 350-2.3 × 105 from rain scavenging depending on the PAC species. Median Wt for parent PAHs were within the range of those observed at other urban and suburban locations. But Wt for acenaphthylene in snow samples was 2-7 times higher. Some individual snow and rain samples exceeded literature values by a factor of 10. Wt for benzo(a)pyrene, dibenz(a,h)anthracene, and benzo(g,h,i)perylene in snow samples had reached 107, which is the maximum for PAH snow scavenging ratios reported in literature. From the analysis of data subsets, Wt for particulate-phase dominant PACs were 14-20 times greater than gas-phase dominant PACs in snow samples and 7-20 times greater than gas-phase dominant PACs in rain samples. Wt from snow scavenging was ∼9 times greater than rain scavenging for particulate-phase dominant PACs and 4-9.6 times greater than rain scavenging for gas-phase dominant PACs. Gas-particle fractions of each PAC, particle size distributions of particulate-phase dominant PACs, and Henry's Law constant of gas-phase dominant PACs explained, to a large extent, the different Wt values among the different PACs and precipitation types. This study verified findings from a previous study of Wang et al. (2014) which suggested that snow scavenging is more efficient than rain scavenging of particles for equivalent precipitation amount, and also provided new knowledge on the scavenging of gas-phase PACs by snow and rain.

LLAMA: normal star formation efficiencies of molecular gas in the centres of luminous Seyfert galaxies

NASA Astrophysics Data System (ADS)

Rosario, D. J.; Burtscher, L.; Davies, R. I.; Koss, M.; Ricci, C.; Lutz, D.; Riffel, R.; Alexander, D. M.; Genzel, R.; Hicks, E. H.; Lin, M.-Y.; Maciejewski, W.; Müller-Sánchez, F.; Orban de Xivry, G.; Riffel, R. A.; Schartmann, M.; Schawinski, K.; Schnorr-Müller, A.; Saintonge, A.; Shimizu, T.; Sternberg, A.; Storchi-Bergmann, T.; Sturm, E.; Tacconi, L.; Treister, E.; Veilleux, S.

2018-02-01

Using new Atacama Pathfinder Experiment and James Clerk Maxwell Telescope spectroscopy of the CO 2→1 line, we undertake a controlled study of cold molecular gas in moderately luminous (Lbol = 1043-44.5 erg s-1) active galactic nuclei (AGN) and inactive galaxies from the Luminous Local AGN with Matched Analogs (LLAMA) survey. We use spatially resolved infrared photometry of the LLAMA galaxies from 2MASS, the Wide-field Infrared Survey Explorer the Infrared Astronomical Satellite and the Herschel Space Observatory (Herschel), corrected for nuclear emission using multicomponent spectral energy distribution fits, to examine the dust-reprocessed star formation rates, molecular gas fractions and star formation efficiencies (SFEs) over their central 1-3 kpc. We find that the gas fractions and central SFEs of both active and inactive galaxies are similar when controlling for host stellar mass and morphology (Hubble type). The equivalent central molecular gas depletion times are consistent with the discs of normal spiral galaxies in the local Universe. Despite energetic arguments that the AGN in LLAMA should be capable of disrupting the observable cold molecular gas in their central environments, our results indicate that nuclear radiation only couples weakly with this phase. We find a mild preference for obscured AGN to contain higher amounts of central molecular gas, which suggests connection between AGN obscuration and the gaseous environment of the nucleus. Systems with depressed SFEs are not found among the LLAMA AGN. We speculate that the processes that sustain the collapse of molecular gas into dense pre-stellar cores may also be a prerequisite for the inflow of material on to AGN accretion discs.

Scavenging ratios of polycyclic aromatic compounds in rain and snow in the Athabasca oil sands region

NASA Astrophysics Data System (ADS)

Zhang, L.; Cheng, I.; Muir, D.; Charland, J.-P.

2015-02-01

The Athabasca oil sands industry in northern Alberta, Canada, is a possible source of polycyclic aromatic compounds (PACs). Monitored PACs, including polycyclic aromatic hydrocarbons (PAHs), alkylated PAHs, and dibenzothiophenes (DBTs), in precipitation and in air at three near-source sites in the Fort MacKay and Fort McMurray area during January 2011 to May 2012, were used to generate a database of scavenging ratios (Wt) for PACs scavenged by both snow and rain. Higher concentrations in precipitation and air were observed for alkylated PAHs and DBTs compared to the other PACs. The sums of the median precipitation concentrations over the period of data analyzed were 0.48 μ g L-1 for the 18 PAHs, 3.38 μ g L-1 for the 20 alkylated PAHs, and 0.94 μ g L-1 for the 5 DBTs. The sums of the median air concentrations for parent PAHs, alkylated PAHs, and DBTs were 8.37, 67.26, and 11.83 ng m-3, respectively. Median Wt over the measurement period were 6100 - 1.1 × 106 from snow scavenging and 350 - 2.3 × 105 from rain scavenging depending on the PAC species. Median Wt for parent PAHs were within the range of those observed at other urban and suburban locations, but Wt for acenaphthylene in snow samples were 2-7 times higher compared to other urban and suburban locations. Wt for some individual snow and rain samples exceeded literature values by a factor of 10. Wt for benzo(a)pyrene, dibenz(a,h)anthracene, and benzo(g,h,i)perylene in snow samples had reached 107, which is the maximum for PAH snow scavenging ratios reported in the literature. From the analysis of data subsets, Wt for particulate-phase dominant PACs were 14-20 times greater than gas-phase dominant PACs in snow samples and 7-20 times greater than gas-phase dominant PACs in rain samples. Wt from snow scavenging were ~ 9 times greater than from rain scavenging for particulate-phase dominant PACs and 4-9.6 times greater than from rain scavenging for gas-phase dominant PACs. Gas-particle fractions of each PAC, particle size distributions of particulate-phase dominant PACs, and the Henry's law constant of gas-phase dominant PACs explained, to a large extent, the different Wt values among the different PACs and precipitation types. The trend in Wt with increasing alkyl substitutions may be attributed to their physico-chemical properties, such as octanol-air and particle partition coefficients and subcooled vapor pressure, which increases gas-particle partitioning and, subsequently, the particulate mass fraction. This study verified findings from a previous study of Wang et al. (2014) that suggested that snow scavenging is more efficient than rain scavenging of particles for equivalent precipitation amounts, and also provided new knowledge of the scavenging of gas-phase PACs and alkylated PACs by snow and rain.

Advanced Natural Gas Reciprocating Engine(s)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwok, Doris; Boucher, Cheryl

Energy independence and fuel savings are hallmarks of the nation’s energy strategy. The advancement of natural gas reciprocating engine power generation technology is critical to the nation’s future. A new engine platform that meets the efficiency, emissions, fuel flexibility, cost and reliability/maintainability targets will enable American manufacturers to have highly competitive products that provide substantial environmental and economic benefits in the US and in international markets. Along with Cummins and Waukesha, Caterpillar participated in a multiyear cooperative agreement with the Department of Energy to create a 50% efficiency natural gas powered reciprocating engine system with a 95% reduction in NOxmore » emissions by the year 2013. This platform developed under this agreement will be a significant contributor to the US energy strategy and will enable gas engine technology to remain a highly competitive choice, meeting customer cost of electricity targets, and regulatory environmental standard. Engine development under the Advanced Reciprocating Engine System (ARES) program was divided into phases, with the ultimate goal being approached in a series of incremental steps. This incremental approach would promote the commercialization of ARES technologies as soon as they emerged from development and would provide a technical and commercial foundation of later-developing technologies. Demonstrations of the Phase I and Phase II technology were completed in 2004 and 2008, respectively. Program tasks in Phase III included component and system development and testing from 2009-2012. Two advanced ignition technology evaluations were investigated under the ARES program: laser ignition and distributed ignition (DIGN). In collaboration with Colorado State University (CSU), a laser ignition system was developed to provide ignition at lean burn and high boost conditions. Much work has been performed in Caterpillar’s DIGN program under the ARES program. This work has consisted of both modeling and single cylinder engine experiments to quantify DIGN performance. The air handling systems of natural gas engines dissipate a percentage of available energy as a result of both flow losses and turbomachinery inefficiencies. An analytical study was initiated to increase compressor efficiency by employing a 2-stage inter-cooled compressor. Caterpillar also studied a turbo-compound system that employs a power turbine to recover energy from the exhaust gases for improved engine efficiency. Several other component and system investigations were undertaken during the final phase of the program to reach the ultimate ARES goals. An intake valve actuation system was developed and tested to improve engine efficiency, durability and load acceptance. Analytical modeling and materials testing were performed to evaluate the performance of steel pistons and compacted graphite iron cylinder head. Effort was made to improve the detonation sensing system by studying and comparing the performance of different pressure sensors. To reduce unburned hydrocarbon emissions, different camshafts were designed and built to investigate the effect of exhaust valve opening timing and value overlap. 1-D & 3-D coupled simulation was used to study intake and exhaust manifold dynamics with the goal of reducing load in-balance between cylinders. Selective catalytic reduction with on-board reductant generation to reduce NOx emissions was also engine tested. An effective mean to successfully deploy ARES technologies into the energy markets is to deploy demonstration projects in the field. In 2010, NETL and Caterpillar agreed to include a new “opportunity fuel” deliverable and two field demonstrations in the ARES program. An Organic Rankine Cycle system was designed with production intent incorporating lessons learned from the Phase II demonstration. Unfortunately, business conditions caused Caterpillar to cancel this demonstration in 2011. Nonetheless, Caterpillar partnered with a local dealer to deploy an ARES class engine using syngas from a biomass gasifier as the DE-FC26-01CH11079 primary combustion fuel in Gleason, TN. Upon the successful start-up and commissioning of the demonstration unit, ownership of the system was transferred to the dealer. In order to further our understanding of syngas combustion, a fundamental combustion study on syngas combustion at high pressure and lean condition was conducted through the collaboration with University of Southern California. A Methane program was also developed to rate engine performance for various compositions of syngas using empirical data obtained at CSU. While much work remains in terms of extending and integrating these developments into commercial products, it is evident that engine manufacturers on our own or through private consortium efforts could not have overcome the financial hurdles to drive these improvements into reciprocating engine and system capabilities, helping maintain the natural gas reciprocating engine power generation technology as a strong option for electric power markets, both in the United States and worldwide.« less

One Door to the Corps: The U.S. Army Engineering and Support Center, Huntsville Historical Update, 1998-2007

DTIC Science & Technology

2009-01-01

with Transpiring Wall Reactor; and Gas Phase Chemical Reduction systems . After much study , ACWA selected three technologies for additional study ...detection systems , and hardware development. Importantly, these advancements allowed for a more effective and cost-efficient remediation process... grounds at the ASPs, the munitions contractors considered a variety of factors, including proximity to the local civilian population and potential

Reactivity of simulated lunar material with fluorine

NASA Technical Reports Server (NTRS)

Odonnell, P. M.

1972-01-01

Simulated lunar surface material was caused to react with fluorine to determine the feasibility of producing oxygen by this method. The maximum total fluorine pressure used was 53.3 kilonewtons per square meter (400 torr) at temperatures up to 523 K (250 C). Postreaction analysis of both the gas and solid phases indicated that the reaction is feasible but that the efficiency is only about 4 percent of that predicted by theory.

Laser-stimulated desorption of organic molecules from surfaces, as a method of increasing the efficiency of ion mobility spectrometry analysis.

PubMed

Akmalov, Artem E; Chistyakov, Alexander A; Kotkovskii, Gennadii E

2017-08-01

Application of laser-induced desorption was investigated as a method of increasing the efficiency of gas phase analyzers on principles of field asymmetric ion mobility spectrometry. Mass spectrometric data of investigations of laser desorption of pentaerythritoltetranitrate molecules and cyclotetramethylenetetranitramine molecules from quartz substrate under vacuum were obtained. Laser sources a Nd 3+ :YAG with nanosecond pulse duration (λ = 532 nm) and a continuous wave diode laser (λ = 440 nm) were used. It was shown that both laser sources have different desorption abilities. This is expressed in various time of appearance of desorbed products that is caused by different heating mechanisms of surface layer. The desorbed quantity under action of both laser sources exceeds the detection threshold for all modern gas phase analyzers. It should be noted that despite the presence of surface dissociation of explosives under laser radiation, the quantity of nondissociated molecules is large enough for detection by ion mobility and field asymmetric ion mobility spectrometers. The optimal parameters of laser radiation for effective removal (evaporation) molecules of low-volatile compounds from surfaces are defined. The conclusion about preferable use of a Nd 3+ :YAG laser for increasing the detection ability of detectors based on ion mobility spectrometry was made.

Highly Efficient Gas-Phase Oxidation of Renewable Furfural to Maleic Anhydride over Plate Vanadium Phosphorus Oxide Catalyst.

PubMed

Li, Xiukai; Ko, Jogie; Zhang, Yugen

2018-02-09

Maleic anhydride (MAnh) and its acids are critical intermediates in chemical industry. The synthesis of maleic anhydride from renewable furfural is one of the most sought after processes in the field of sustainable chemistry. In this study, a plate vanadium phosphorus oxide (VPO) catalyst synthesized by a hydrothermal method with glucose as a green reducing agent catalyzes furfural oxidation to MAnh in the gas phase. The plate catalyst-denoted as VPO HT -has a preferentially exposed (200) crystal plane and exhibited dramatically enhanced activity, selectivity and stability as compared to conventional VPO catalysts and other state-of-the-art catalytic systems. At 360 °C reaction temperature with air as an oxidant, about 90 % yield of MAnh was obtained at 10 vol % of furfural in the feed, a furfural concentration value that is much higher than those (<2 vol %) reported for other catalytic systems. The catalyst showed good long-term stability and there was no decrease in activity or selectivity for MAnh during the time-on-stream of 25 h. The high efficiency and catalyst stability indicate the great potential of this system for the synthesis of maleic anhydride from renewable furfural. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Coke formation and carbon atom economy of methanol-to-olefins reaction.

PubMed

Wei, Yingxu; Yuan, Cuiyu; Li, Jinzhe; Xu, Shutao; Zhou, You; Chen, Jingrun; Wang, Quanyi; Xu, Lei; Qi, Yue; Zhang, Qing; Liu, Zhongmin

2012-05-01

The methanol-to-olefins (MTO) process is becoming the most important non-petrochemical route for the production of light olefins from coal or natural gas. Maximizing the generation of the target products, ethene and propene, and minimizing the production of byproducts and coke, are major considerations in the efficient utilization of the carbon resource of methanol. In the present work, the heterogeneous catalytic conversion of methanol was evaluated by performing simultaneous measurements of the volatile products generated in the gas phase and the confined coke deposition in the catalyst phase. Real-time and complete reaction profiles were plotted to allow the comparison of carbon atom economy of methanol conversion over the catalyst SAPO-34 at varied reaction temperatures. The difference in carbon atom economy was closely related with the coke formation in the SAPO-34 catalyst. The confined coke compounds were determined. A new type of confined organics was found, and these accounted for the quick deactivation and low carbon atom economy under low-reaction-temperature conditions. Based on the carbon atom economy evaluation and coke species determination, optimized operating conditions for the MTO process are suggested; these conditions guarantee high conversion efficiency of methanol. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 1: Theory and numerical solution procedures

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan

1994-01-01

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 1 of a series of three reference publications that describe LENS, provide a detailed guide to its usage, and present many example problems. Part 1 derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved. The accuracy and efficiency of LSENS are examined by means of various test problems, and comparisons with other methods and codes are presented. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

Simulation of granular and gas-solid flows using discrete element method

NASA Astrophysics Data System (ADS)

Boyalakuntla, Dhanunjay S.

2003-10-01

In recent years there has been increased research activity in the experimental and numerical study of gas-solid flows. Flows of this type have numerous applications in the energy, pharmaceuticals, and chemicals process industries. Typical applications include pulverized coal combustion, flow and heat transfer in bubbling and circulating fluidized beds, hopper and chute flows, pneumatic transport of pharmaceutical powders and pellets, and many more. The present work addresses the study of gas-solid flows using computational fluid dynamics (CFD) techniques and discrete element simulation methods (DES) combined. Many previous studies of coupled gas-solid flows have been performed assuming the solid phase as a continuum with averaged properties and treating the gas-solid flow as constituting of interpenetrating continua. Instead, in the present work, the gas phase flow is simulated using continuum theory and the solid phase flow is simulated using DES. DES treats each solid particle individually, thus accounting for its dynamics due to particle-particle interactions, particle-wall interactions as well as fluid drag and buoyancy. The present work involves developing efficient DES methods for dense granular flow and coupling this simulation to continuum simulations of the gas phase flow. Simulations have been performed to observe pure granular behavior in vibrating beds. Benchmark cases have been simulated and the results obtained match the published literature. The dimensionless acceleration amplitude and the bed height are the parameters governing bed behavior. Various interesting behaviors such as heaping, round and cusp surface standing waves, as well as kinks, have been observed for different values of the acceleration amplitude for a given bed height. Furthermore, binary granular mixtures (granular mixtures with two particle sizes) in a vibrated bed have also been studied. Gas-solid flow simulations have been performed to study fluidized beds. Benchmark 2D fluidized bed simulations have been performed and the results have been shown to satisfactorily compare with those published in the literature. A comprehensive study of the effect of drag correlations on the simulation of fluidized beds has been performed. It has been found that nearly all the drag correlations studied make similar predictions of global quantities such as the time-dependent pressure drop, bubbling frequency and growth. In conclusion, discrete element simulation has been successfully coupled to continuum gas-phase. Though all the results presented in the thesis are two-dimensional, the present implementation is completely three dimensional and can be used to study 3D fluidized beds to aid in better design and understanding. Other industrially important phenomena like particle coating, coal gasification etc., and applications in emerging areas such as nano-particle/fluid mixtures can also be studied through this type of simulation. (Abstract shortened by UMI.)

Flow chemistry: intelligent processing of gas-liquid transformations using a tube-in-tube reactor.

PubMed

Brzozowski, Martin; O'Brien, Matthew; Ley, Steven V; Polyzos, Anastasios

2015-02-17

CONSPECTUS: The previous decade has witnessed the expeditious uptake of flow chemistry techniques in modern synthesis laboratories, and flow-based chemistry is poised to significantly impact our approach to chemical preparation. The advantages of moving from classical batch synthesis to flow mode, in order to address the limitations of traditional approaches, particularly within the context of organic synthesis are now well established. Flow chemistry methodology has led to measurable improvements in safety and reduced energy consumption and has enabled the expansion of available reaction conditions. Contributions from our own laboratories have focused on the establishment of flow chemistry methods to address challenges associated with the assembly of complex targets through the development of multistep methods employing supported reagents and in-line monitoring of reaction intermediates to ensure the delivery of high quality target compounds. Recently, flow chemistry approaches have addressed the challenges associated with reactions utilizing reactive gases in classical batch synthesis. The small volumes of microreactors ameliorate the hazards of high-pressure gas reactions and enable improved mixing with the liquid phase. Established strategies for gas-liquid reactions in flow have relied on plug-flow (or segmented flow) regimes in which the gas plugs are introduced to a liquid stream and dissolution of gas relies on interfacial contact of the gas bubble with the liquid phase. This approach confers limited control over gas concentration within the liquid phase and is unsuitable for multistep methods requiring heterogeneous catalysis or solid supported reagents. We have identified the use of a gas-permeable fluoropolymer, Teflon AF-2400, as a simple method of achieving efficient gas-liquid contact to afford homogeneous solutions of reactive gases in flow. The membrane permits the transport of a wide range of gases with significant control of the stoichiometry of reactive gas in a given reaction mixture. We have developed a tube-in-tube reactor device consisting of a pair of concentric capillaries in which pressurized gas permeates through an inner Teflon AF-2400 tube and reacts with dissolved substrate within a liquid phase that flows within a second gas impermeable tube. This Account examines our efforts toward the development of a simple, unified methodology for the processing of gaseous reagents in flow by way of development of a tube-in-tube reactor device and applications to key C-C, C-N, and C-O bond forming and hydrogenation reactions. We further describe the application to multistep reactions using solid-supported reagents and extend the technology to processes utilizing multiple gas reagents. A key feature of our work is the development of computer-aided imaging techniques to allow automated in-line monitoring of gas concentration and stoichiometry in real time. We anticipate that this Account will illustrate the convenience and benefits of membrane tube-in-tube reactor technology to improve and concomitantly broaden the scope of gas/liquid/solid reactions in organic synthesis.

Schlieren optical visualization for transient EHD induced flow in a stratified dielectric liquid under gas-phase ac corona discharges

NASA Astrophysics Data System (ADS)

Ohyama, R.; Inoue, K.; Chang, J. S.

2007-01-01

A flow pattern characterization of electrohydrodynamically (EHD) induced flow phenomena of a stratified dielectric fluid situated in an ac corona discharge field is conducted by a Schlieren optical system. A high voltage application to a needle-plate electrode arrangement in gas-phase normally initiates a conductive type EHD gas flow. Although the EHD gas flow motion initiated from the corona discharge electrode has been well known as corona wind, no comprehensive study has been conducted for an EHD fluid flow motion of the stratified dielectric liquid that is exposed to the gas-phase ac corona discharge. The experimentally observed result clearly presents the liquid-phase EHD flow phenomenon induced from the gas-phase EHD flow via an interfacial momentum transfer. The flow phenomenon is also discussed in terms of the gas-phase EHD number under the reduced gas pressure (reduced interfacial momentum transfer) conditions.

Multiphase flow and transport caused by spontaneous gas phase growth in the presence of dense non-aqueous phase liquid

NASA Astrophysics Data System (ADS)

Roy, James W.; Smith, James E.

2007-01-01

Disconnected bubbles or ganglia of trapped gas may occur below the top of the capillary fringe through a number of mechanisms. In the presence of dense non-aqueous phase liquid (DNAPL), the disconnected gas phase experiences mass transfer of dissolved gases, including volatile components from the DNAPL. The properties of the gas phase interface can also change. This work shows for the first time that when seed gas bubbles exist spontaneous gas phase growth can be expected to occur and can significantly affect water-gas-DNAPL distributions, fluid flow, and mass transfer. Source zone behaviour was observed in three different experiments performed in a 2-dimensional flow cell. In each case, a DNAPL pool was created in a zone of larger glass beads over smaller glass beads, which served as a capillary barrier. In one experiment effluent water samples were analyzed to determine the vertical concentration profile of the plume above the pool. The experiments effectively demonstrated a) a cycle of spontaneous gas phase expansion and vertical advective mobilization of gas bubbles and ganglia above the DNAPL source zone, b) DNAPL redistribution caused by gas phase growth and mobilization, and c) that these processes can significantly affect mass transport from a NAPL source zone.

Multiphase flow and transport caused by spontaneous gas phase growth in the presence of dense non-aqueous phase liquid.

PubMed

Roy, James W; Smith, James E

2007-01-30

Disconnected bubbles or ganglia of trapped gas may occur below the top of the capillary fringe through a number of mechanisms. In the presence of dense non-aqueous phase liquid (DNAPL), the disconnected gas phase experiences mass transfer of dissolved gases, including volatile components from the DNAPL. The properties of the gas phase interface can also change. This work shows for the first time that when seed gas bubbles exist spontaneous gas phase growth can be expected to occur and can significantly affect water-gas-DNAPL distributions, fluid flow, and mass transfer. Source zone behaviour was observed in three different experiments performed in a 2-dimensional flow cell. In each case, a DNAPL pool was created in a zone of larger glass beads over smaller glass beads, which served as a capillary barrier. In one experiment effluent water samples were analyzed to determine the vertical concentration profile of the plume above the pool. The experiments effectively demonstrated a) a cycle of spontaneous gas phase expansion and vertical advective mobilization of gas bubbles and ganglia above the DNAPL source zone, b) DNAPL redistribution caused by gas phase growth and mobilization, and c) that these processes can significantly affect mass transport from a NAPL source zone.

Development of Efficient Real-Fluid Model in Simulating Liquid Rocket Injector Flows

NASA Technical Reports Server (NTRS)

Cheng, Gary; Farmer, Richard

2003-01-01

The characteristics of propellant mixing near the injector have a profound effect on the liquid rocket engine performance. However, the flow features near the injector of liquid rocket engines are extremely complicated, for example supercritical-pressure spray, turbulent mixing, and chemical reactions are present. Previously, a homogeneous spray approach with a real-fluid property model was developed to account for the compressibility and evaporation effects such that thermodynamics properties of a mixture at a wide range of pressures and temperatures can be properly calculated, including liquid-phase, gas- phase, two-phase, and dense fluid regions. The developed homogeneous spray model demonstrated a good success in simulating uni- element shear coaxial injector spray combustion flows. However, the real-fluid model suffered a computational deficiency when applied to a pressure-based computational fluid dynamics (CFD) code. The deficiency is caused by the pressure and enthalpy being the independent variables in the solution procedure of a pressure-based code, whereas the real-fluid model utilizes density and temperature as independent variables. The objective of the present research work is to improve the computational efficiency of the real-fluid property model in computing thermal properties. The proposed approach is called an efficient real-fluid model, and the improvement of computational efficiency is achieved by using a combination of a liquid species and a gaseous species to represent a real-fluid species.

Simple setup for gas-phase H/D exchange mass spectrometry coupled to electron transfer dissociation and ion mobility for analysis of polypeptide structure on a liquid chromatographic time scale.

PubMed

Mistarz, Ulrik H; Brown, Jeffery M; Haselmann, Kim F; Rand, Kasper D

2014-12-02

Gas-phase hydrogen/deuterium exchange (HDX) is a fast and sensitive, yet unharnessed analytical approach for providing information on the structural properties of biomolecules, in a complementary manner to mass analysis. Here, we describe a simple setup for ND3-mediated millisecond gas-phase HDX inside a mass spectrometer immediately after ESI (gas-phase HDX-MS) and show utility for studying the primary and higher-order structure of peptides and proteins. HDX was achieved by passing N2-gas through a container filled with aqueous deuterated ammonia reagent (ND3/D2O) and admitting the saturated gas immediately upstream or downstream of the primary skimmer cone. The approach was implemented on three commercially available mass spectrometers and required no or minor fully reversible reconfiguration of gas-inlets of the ion source. Results from gas-phase HDX-MS of peptides using the aqueous ND3/D2O as HDX reagent indicate that labeling is facilitated exclusively through gaseous ND3, yielding similar results to the infusion of purified ND3-gas, while circumventing the complications associated with the use of hazardous purified gases. Comparison of the solution-phase- and gas-phase deuterium uptake of Leu-Enkephalin and Glu-Fibrinopeptide B, confirmed that this gas-phase HDX-MS approach allows for labeling of sites (heteroatom-bound non-amide hydrogens located on side-chains, N-terminus and C-terminus) not accessed by classical solution-phase HDX-MS. The simple setup is compatible with liquid chromatography and a chip-based automated nanoESI interface, allowing for online gas-phase HDX-MS analysis of peptides and proteins separated on a liquid chromatographic time scale at increased throughput. Furthermore, online gas-phase HDX-MS could be performed in tandem with ion mobility separation or electron transfer dissociation, thus enabling multiple orthogonal analyses of the structural properties of peptides and proteins in a single automated LC-MS workflow.

Dramatically different kinetics and mechanism at solid/liquid and solid/gas interfaces for catalytic isopropanol oxidation over size-controlled platinum nanoparticles.

PubMed

Wang, Hailiang; Sapi, Andras; Thompson, Christopher M; Liu, Fudong; Zherebetskyy, Danylo; Krier, James M; Carl, Lindsay M; Cai, Xiaojun; Wang, Lin-Wang; Somorjai, Gabor A

2014-07-23

We synthesize platinum nanoparticles with controlled average sizes of 2, 4, 6, and 8 nm and use them as model catalysts to study isopropanol oxidation to acetone in both the liquid and gas phases at 60 °C. The reaction at the solid/liquid interface is 2 orders of magnitude slower than that at the solid/gas interface, while catalytic activity increases with the size of platinum nanoparticles for both the liquid-phase and gas-phase reactions. The activation energy of the gas-phase reaction decreases with the platinum nanoparticle size and is in general much higher than that of the liquid-phase reaction which is largely insensitive to the size of catalyst nanoparticles. Water substantially promotes isopropanol oxidation in the liquid phase. However, it inhibits the reaction in the gas phase. The kinetic results suggest different mechanisms between the liquid-phase and gas-phase reactions, correlating well with different orientations of IPA species at the solid/liquid interface vs the solid/gas interface as probed by sum frequency generation vibrational spectroscopy under reaction conditions and simulated by computational calculations.

Method and system for measuring multiphase flow using multiple pressure differentials

DOEpatents

Fincke, James R.

2001-01-01

An improved method and system for measuring a multiphase flow in a pressure flow meter. An extended throat venturi is used and pressure of the multiphase flow is measured at three or more positions in the venturi, which define two or more pressure differentials in the flow conduit. The differential pressures are then used to calculate the mass flow of the gas phase, the total mass flow, and the liquid phase. The method for determining the mass flow of the high void fraction fluid flow and the gas flow includes certain steps. The first step is calculating a gas density for the gas flow. The next two steps are finding a normalized gas mass flow rate through the venturi and computing a gas mass flow rate. The following step is estimating the gas velocity in the venturi tube throat. The next step is calculating the pressure drop experienced by the gas-phase due to work performed by the gas phase in accelerating the liquid phase between the upstream pressure measuring point and the pressure measuring point in the venturi throat. Another step is estimating the liquid velocity in the venturi throat using the calculated pressure drop experienced by the gas-phase due to work performed by the gas phase. Then the friction is computed between the liquid phase and a wall in the venturi tube. Finally, the total mass flow rate based on measured pressure in the venturi throat is calculated, and the mass flow rate of the liquid phase is calculated from the difference of the total mass flow rate and the gas mass flow rate.

Intense laser pulse propagation in ionizing gases

NASA Astrophysics Data System (ADS)

Bian, Zhigang

2003-10-01

There have been considerable technological advances in the development of high intensity, short pulse lasers. However, high intensity laser pulses are subject to various laser-plasma instabilities. In this thesis, a theory is developed to study the scattering instability that occurs when a laser pulse propagates through and ionizes a gas. The instability is due to the intensity dependence of the ionization rate, which leads to a transversely structured free electron density. The instability is convective in the frame of laser pulse, but can have a relatively short growth length scaling as Lg˜k0/k2p where k0 is the laser wave number, k2p=w2p/c 2 and op is the plasma frequency. The most unstable perturbations correspond to a scattering angle for which the transverse wave number is around the plasma wave number, k p. The scattered light is frequency upshifted. The comparison between simple analytic theory and numerical simulation shows good agreement. Instabilities can drastically change the shape of the laser pulse and reduce the propagation distance of the laser pulse. Therefore, we change the propagation conditions and reduce the laser-plasma interaction possibilities in applications which require an interaction length well in excess of the Rayleigh length of the laser beam. One of the methods is to use a capillary to propagate the laser pulse. We studied the propagation of short pulses in a glass capillary. The propagation is simulated using the code WAKE, which has been modified to treat the case in which the simulation boundary is the wall of a capillary. Parameters that were examined include transmission efficiency of the waveguides as a function of gas pressure, laser intensity, and waveguide length, which is up to 40 Rayleigh lengths. The transmission efficiency decreases with waveguide length due to energy loss through the side-walls of the capillary. The loss increases with gas pressure due to ionization of the gas and scattering of the radiation. The intensity on the inner wall of the capillary is monitored to assure realistic simulations, consistent with optical breakdown of the waveguide material. Generally speaking the intensity on the wall increases with gas pressure due to the scattering of the lowest order capillary mode. Finally, the high order harmonic generation (HHG) in a capillary is investigated. The phase matching condition is studied to increase the conversion efficiency for high order harmonics generation. The phase matching occurs as a balance of the dispersion of the neutral gas, plasma and the waveguide.

Fungal biocatalysts in the biofiltration of VOC-polluted air.

PubMed

Kennes, Christian; Veiga, María C

2004-09-30

Gas-phase biofilters used for the treatment of waste gases were originally packed with compost or other natural filter beds containing indigenous microorganisms. Over the past decade much effort has been made to develop new carrier materials, more performant biocatalysts and new types of bioreactors. Elimination capacities reached nowadays are 5 to 10 times higher than those originally reported with conventional compost biofilters. With the recently developed inert filter beds, inoculation is a prerequisite for successful start-up and operation. Either non-defined mixed cultures or pure bacterial cultures have originally been used. The search for efficient fungal biocatalysts started only a few years ago, mainly for the biofiltration of waste gases containing hydrophobic compounds, such as styrene, alpha-pinene, benzene, or alkylbenzenes. In this review, recently isolated new fungal strains able to degrade alkylbenzenes and other related volatile organic pollutants are described, as well as their major characteristics and their use as biocatalysts in gas-phase biofilters for air pollution control. In biofiltration, the most extensively studied organism belongs to the genus Exophiala, although strains of Scedosporium, Paecilomyces, Cladosporium, Cladophialophora, and white-rot fungi are all potential candidates for use in biofilters. Encouraging results were obtained in most of the cases in which some of those organisms were present in gas-phase biofilters. They allow reaching high elimination capacities and are resistant to low pH values and to reduce moisture content.

Star-formation and stellar feedback recipes in galaxy evolution models

NASA Astrophysics Data System (ADS)

Hensler, Gerhard; Recchi, Simone; Ploeckinger, Sylvia; Kuehtreiber, Matthias; Steyrleithner, Patrick; Liu, Lei

2015-08-01

Modeling galaxy formation and evolution is critically depending on star formation (SF). Since cosmological and galaxy-scale simulations cannot resolve the spatial and density scales on which SF acts, a large variety of methods are developed and applied over the last decades. Nonetheless, we are still in the test phase how the choice of parameters affects the models and how they agree with observations.As a simple ansatz, recipes are based on power-law SF dependences on gas density as justified by gas cooling and collapse timescales. In order to prevent SF spread throughout the gas, temperature and density thresholds are also used, although gas dynamical effects, like e.g. gas infall, seem to trigger SF significantly.The formed stars influence their environment immediately by energetic and materialistic feedback. It has been experienced in numerical models that supernova typeII explosions act with a too long time delay to regulate the SF, but that winds and ionizing radiation by massive stars must be included. The implementation of feedback processes, their efficiencies and timescales, is still in an experimental state, because they depend also on the physical state of the surrounding interstellar medium (ISM).Combining a SF-gas density relation with stellar heating vs. gas cooling and taking the temperature dependence into account, we have derived an analytical expression of self-regulated SF which is free of arbitrary parameters. We have performed numerical models to study this recipe and different widely used SF criteria in both, particle and grid codes. Moreover, we compare the SF behavior between single-gas phase and multi-phase treatments of the ISM.Since dwarf galaxies (DGs) are most sensitive to environmental influences and contain only low SF rates, we explore two main affects on their models: 1. For external effects we compare SF rates of isolated and ram-pressure suffering DGs. Moreover, we find a SF enhancement in tidal-tail DGs by the compressive tidal field. 2. Because of locally low SF rates we compare the stellar feedback of a mostly assumed but only fractionally occupied stellar initial mass function with a bottom-heavy one.

The effect of model fidelity on prediction of char burnout for single-particle coal combustion

DOE PAGES

McConnell, Josh; Sutherland, James C.

2016-07-09

In this study, practical simulation of industrial-scale coal combustion relies on the ability to accurately capture the dynamics of coal subprocesses while also ensuring the computational cost remains reasonable. The majority of the residence time occurs post-devolatilization, so it is of great importance that a balance between the computational efficiency and accuracy of char combustion models is carefully considered. In this work, we consider the importance of model fidelity during char combustion by comparing combinations of simple and complex gas and particle-phase chemistry models. Detailed kinetics based on the GRI 3.0 mechanism and infinitely-fast chemistry are considered in the gas-phase.more » The Char Conversion Kinetics model and nth-Order Langmuir–Hinshelwood model are considered for char consumption. For devolatilization, the Chemical Percolation and Devolatilization and Kobayashi-Sarofim models are employed. The relative importance of gasification versus oxidation reactions in air and oxyfuel environments is also examined for various coal types. Results are compared to previously published experimental data collected under laminar, single-particle conditions. Calculated particle temperature histories are strongly dependent on the choice of gas phase and char chemistry models, but only weakly dependent on the chosen devolatilization model. Particle mass calculations were found to be very sensitive to the choice of devolatilization model, but only somewhat sensitive to the choice of gas chemistry and char chemistry models. High-fidelity models for devolatilization generally resulted in particle temperature and mass calculations that were closer to experimentally observed values.« less

The effect of model fidelity on prediction of char burnout for single-particle coal combustion

DOE Office of Scientific and Technical Information (OSTI.GOV)

McConnell, Josh; Sutherland, James C.

In this study, practical simulation of industrial-scale coal combustion relies on the ability to accurately capture the dynamics of coal subprocesses while also ensuring the computational cost remains reasonable. The majority of the residence time occurs post-devolatilization, so it is of great importance that a balance between the computational efficiency and accuracy of char combustion models is carefully considered. In this work, we consider the importance of model fidelity during char combustion by comparing combinations of simple and complex gas and particle-phase chemistry models. Detailed kinetics based on the GRI 3.0 mechanism and infinitely-fast chemistry are considered in the gas-phase.more » The Char Conversion Kinetics model and nth-Order Langmuir–Hinshelwood model are considered for char consumption. For devolatilization, the Chemical Percolation and Devolatilization and Kobayashi-Sarofim models are employed. The relative importance of gasification versus oxidation reactions in air and oxyfuel environments is also examined for various coal types. Results are compared to previously published experimental data collected under laminar, single-particle conditions. Calculated particle temperature histories are strongly dependent on the choice of gas phase and char chemistry models, but only weakly dependent on the chosen devolatilization model. Particle mass calculations were found to be very sensitive to the choice of devolatilization model, but only somewhat sensitive to the choice of gas chemistry and char chemistry models. High-fidelity models for devolatilization generally resulted in particle temperature and mass calculations that were closer to experimentally observed values.« less

Co-Adsorption of Ammonia and Formaldehyde on Regenerable Carbon Sorbents for the Primary Life Support System (PLSS)

NASA Technical Reports Server (NTRS)

Wojtowicz, Marek A.; Cosgrove, Joseph E.; Serio, Michael A.; Wilburn, Monique S.

2016-01-01

Results are presented on the development of a reversible carbon sorbent for trace-contaminant (TC) removal for use in Extravehicular Activities (EVAs), and more specifically in the Primary Life Support System (PLSS). The current TC-control technology involves the use of a packed bed of acid-impregnated granular charcoal, which is deemed non-regenerable, while the carbon-based sorbent under development in this project can be regenerated by exposure to vacuum at room temperature. Data on concurrent sorption and desorption of ammonia and formaldehyde, which are major TCs of concern, are presented in this paper. A carbon sorbent was fabricated by dry impregnation of a reticulated carbon-foam support with polyvinylidene chloride, followed by carbonization and thermal oxidation in air. Sorbent performance was tested for ammonia and formaldehyde sorption and vacuum regeneration, with and without water present in the gas stream. It was found that humidity in the gas phase enhanced ammonia-sorption capacity by a factor larger than two. Co-adsorption of ammonia and formaldehyde in the presence of water resulted in strong formaldehyde sorption (to the point that it was difficult to saturate the sorbent on the time scales used in this study). In the absence of humidity, adsorption of formaldehyde on the carbon surface was found to impair ammonia sorption in subsequent runs; in the presence of water, however, both ammonia and formaldehyde could be efficiently removed from the gas phase by the sorbent. The efficiency of vacuum regeneration could be enhanced by gentle heating to temperatures below 60 deg.

Liquid-liquid reaction of hydrogen peroxide and sodium hypochlorite for the production of singlet oxygen in a centrifugal flow singlet oxygen generator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cui Rongrong; Deng Liezheng; Shi Wenbo

An attempt is made to produce gas-phase singlet oxygen O{sub 2}(a{sup 1{Delta}}{sub g}) in a liquid-liquid reaction between acidic hydrogen peroxide (AHP) and sodium hypochlorite (NaOCl). The attempt arises from the fact that basic hydrogen peroxide (BHP) has long been the prime source for producing singlet delta oxygen through its reaction with chlorine. However, BHP suffers from the defect of being unstable during storage. Exploratory experiments were performed in a centrifugal flow singlet oxygen generator (CF-SOG) with two streams of solutions, AHP and NaOCl, mixed in a slit nozzle and then injected into the arc-shaped concavity in the CF-SOG tomore » form a rotating liquid flow with a remarkable centrifugal force. With the help of this centrifugal force, the product of the O{sub 2}({sup 1{Delta}}) reaction was quickly separated from the liquid phase. The gas-phase O{sub 2}({sup 1{Delta}}) was detected via the spectrum of O{sub 2}({sup 1{Delta}}) cooperative dimolecular emission with a CCD spectrograph. Experimental results show that it is feasible to produce gas-phase O{sub 2}({sup 1{Delta}}) from the AHP + NaOCl reaction, and the stronger the acidity, the more efficient the O{sub 2}({sup 1{Delta}}) production. However, since in the AHP + NaOCl reaction, Cl{sub 2} unavoidably appears as a byproduct, its catalytic action on the decomposition of H{sub 2}O{sub 2} into ground-state O{sub 2} remains a major obstacle to utilising the AHP + NaOCl reaction in producing gas-phase O{sub 2}({sup 1{Delta}}). Qualitative interpretation shows that the AHP + NaOCl reaction is virtually the reaction of interaction of molecular H{sub 2}O{sub 2} with molecular HOCl, its mechanism being analogous to that of reaction of BHP with Cl{sub 2}, where HOOCl is the key intermediate. It is difficult to form the intermediate HOOCl via the H{sub 2}O{sub 2} + NaOCl reaction in a basic medium, thus gas-phase O{sub 2}({sup 1{Delta}}) cannot be obtained in appreciable quantities. (active media)« less

Development of a gas chromatography-mass spectrometry method for the determination of pesticides in gaseous and particulate phases in the atmosphere.

PubMed

Borrás, E; Sánchez, P; Muñoz, A; Tortajada-Genaro, L A

2011-08-05

A reliable multi-residue method for determining gaseous and particulate phase pesticides in atmospheric samples has been developed. This method, based on full scan gas chromatography-mass spectrometry (GC-MS), allowed the proper determination of sixteen relevant pesticides, in a wide range of concentrations and without the influence of interferences. The pesticides were benfluralin, bitertanol, buprofezin, chlorfenvinphos, chlorpyrifos, chlorpyrifos-methyl, ethalfluralin, fenthion, lindane, malathion, methidathion, propachlor, propanil, pyriproxifen, tebuconazol and trifluralin. Comparisons of two types of sampling filters (quartz and glass fibre) and four types of solid-phase cartridges (XAD-2, XAD-4, Florisil and Orbo-49P) showed that the most suitable supports were glass fibre filter for particulate pesticides and XAD-2 and XAD-4 cartridges for gaseous pesticides (>95% recovery). Evaluations of elution solvents for ultrasonic-assisted extraction demonstrated that isooctane is better than ethylacetate, dichloromethane, methanol or a mixture of acetone:hexane (1:1). Recovery assays and the standard addition method were performed to validate the proposed methodology. Moreover, large simulator chamber experiments allowed the best study of the gas-particle partitioning of pesticides for testing the sampling efficiency for the validation of an analytical multiresidue method for pesticides in air. Satisfactory analytical parameters were obtained, with a repeatability of 5±1%, a reproducibility of 13±3% and detection limits of 0.05-0.18 pg m(-3) for the particulate phase and 26-88 pg m(-3) for the gaseous phase. Finally, the methodology was successfully applied to rural and agricultural samples in the Mediterranean area. Copyright © 2011 Elsevier B.V. All rights reserved.

Modeling the Transition From Predominantly Gas- to Predominantly Aerosol-Phase Products From OH Reactions With the Homologous Series of C10 to C15 n- Alkanes

NASA Astrophysics Data System (ADS)

Jordan, C. E.; Ziemann, P. J.; Griffin, R. J.; Lim, Y. B.; Atkinson, R.; Arey, J.

2006-12-01

Recent laboratory studies have shown significant formation of secondary organic aerosol (SOA) from OH reactions with a homologous series of n-alkanes. SOA mass yields of 56% were observed for pentadecane (C15), while only 0.5% yield was observed from octane (C8, the smallest alkane in the series). A rapid transition in SOA yield is observed from C10 to C13, with SOA yields increasing from 4% to 49%. In standard gas-aerosol partitioning theory, the vapor pressure controls the amount of material that can condense into the particle phase. However, the rapid transition observed here suggests there may also be a shift in the predominant reaction pathways for longer chain alkanes, leading to greater production of lower vapor pressure products. Here we present an investigation of the role of vapor pressure versus the role of shifting branching ratios to test the influence of each of these on SOA mass yields. We have added each of the alkanes in this series to the Caltech Atmospheric Chemistry Mechanism (CACM). This mechanism was developed in part to predict explicitly concentrations of secondary and tertiary semivolatile oxidation products that potentially form SOA. Although it is has been developed to lump similar compounds together for computational efficiency, it is nonetheless easily adapted and ideally suited for a detailed zero-dimensional modeling study of this kind. This gas-phase mechanism is linked to the aerosol partitioning module MPMPO (Model to Predict the Multi- phase Partitioning of Organics). MPMPO is a fully coupled module that allows the simultaneous partitioning of semi-volatile species to both an aqueous and an organic aerosol phase.

Giddings Austin chalk enters deep lean-gas phase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moritis, G.

1995-12-25

Deep lean gas is the latest phase in the growth of the Giddings field Austin chalk play. The first phase involved drilling vertical oil and gas wells. Next came the horizontal well boom in the shallower Austin chalk area, which is still continuing. And now this third phase places horizontal laterals in the Austen chalk at about 14,000--15,000 ft to produce lean gas. The article describes the producing wells and gas gathering.

Improvement of Sweep Efficiency in Gasflooding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kishore Mohanty

2008-12-31

Miscible and near-miscible gasflooding has proven to be one of the few cost effective enhance oil recovery techniques in the past twenty years. As the scope of gas flooding is being expanded to medium viscosity oils in shallow sands in Alaska and shallower reservoirs in the lower 48, there are questions about sweep efficiency in near-miscible regions. The goal of this research is to evaluate sweep efficiency of various gas flooding processes in a laboratory model and develop numerical tools to estimate their effectiveness in the field-scale. Quarter 5-spot experiments were conducted at reservoir pressure to evaluate the sweep efficiencymore » of gas, WAG and foam floods. The quarter 5-spot model was used to model vapor extraction (VAPEX) experiments at the lab scale. A streamline-based compositional simulator and a commercial simulator (GEM) were used to model laboratory scale miscible floods and field-scale pattern floods. An equimolar mixture of NGL and lean gas is multicontact miscible with oil A at 1500 psi; ethane is a multicontact miscible solvent for oil B at pressures higher than 607 psi. WAG improves the microscopic displacement efficiency over continuous gas injection followed by waterflood in corefloods. WAG improves the oil recovery in the quarter 5-spot over the continuous gas injection followed by waterflood. As the WAG ratio increases from 1:2 to 2:1, the sweep efficiency in the 5-spot increases, from 39.6% to 65.9%. A decrease in the solvent amount lowers the oil recovery in WAG floods, but significantly higher amount of oil can be recovered with just 0.1 PV solvent injection over just waterflood. Use of a horizontal production well lowers the oil recovery over the vertical production well during WAG injection phase in this homogeneous 5-spot model. Estimated sweep efficiency decreases from 61.5% to 50.5%. In foam floods, as surfactant to gas slug size ratio increases from 1:10 to 1:1, oil recovery increases. In continuous gasflood VAPEX processes, as the distance between the injection well and production well decreases, the oil recovery and rate decreases in continuous gasflood VAPEX processes. Gravity override is observed for gas injection simulations in vertical (X-Z) cross-sections and 3-D quarter five spot patterns. Breakthrough recovery efficiency increases with the viscous-to-gravity ratio in the range of 1-100. The speed up for the streamline calculations alone is almost linear with the number of processors. The overall speed up factor is sub-linear because of the overhead time spent on the finite-difference calculation, inter-processor communication, and non-uniform processor load. Field-scale pattern simulations showed that recovery from gas and WAG floods depends on the vertical position of high permeability regions and k{sub v}/k{sub h} ratio. As the location of high permeability region moves down and k{sub v}/k{sub h} ratio decreases, oil recovery increases. There is less gravity override. The recovery from the field model is lower than that from the lab 5-spot model, but the effect of WAG ratio is similar.« less

Single-cylinder diesel engine study of four vegetable oils

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jacobus, M.J.; Geyer, S.M.; Lestz, S.S.

A single-cylinder, 0.36l, D.I. Diesel engine was operated on Diesel fuel, sunflowerseed oil, cottonseed oil, soybean oil, and peanut oil. The purpose of this study was to provide a detailed comparison of performance and emissions data and to characterize the biological activity of the particulate soluble organic fraction for each fuel using the Ames Salmonella typhimurium test. In addition, exhaust gas aldehyde samples were collected using the DNPH method. These samples were analyzed gravimetrically and separated into components from formaldehyde to heptaldehyde with a gas chromatograph. Results comparing the vegetable oils to Diesel fuel generally show slight improvements in thermalmore » efficiency and indicated specific energy consumption; equal or higher gas-phase emissions; lower indicated specific revertant emissions; and significantly higher aldehyde emissions, including an increased percentage of formaldehyde.« less

The Cosmic Baryon Cycle in the FIRE Simulations

NASA Astrophysics Data System (ADS)

Anglés-Alcázar, Daniel

2017-07-01

The exchange of mass, energy, and metals between galaxies and their surrounding circumgalactic medium represents an integral part of the modern paradigm of galaxy formation. In this talk, I will present recent progress in understanding the cosmic baryon cycle using cosmological hydrodynamic simulations from the Feedback In Realistic Environments (FIRE) project. Local stellar feedback processes regulate star formation in galaxies and shape the multi-phase structure of the interstellar medium while driving large-scale outflows that connect galaxies with the circumgalactic medium. I will discuss the efficiency of winds evacuating gas from galaxies, the ubiquity and properties of wind recycling, and the importance of intergalactic transfer, i.e. the exchange of gas between galaxies via winds. I will show that intergalactic transfer can dominate late time gas accretion onto Milky Way-mass galaxies over fresh accretion and standard wind recycling.

Flue gas conditioning for improved particle collection in electrostatic precipitators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Durham, M.D.

1992-04-27

The purpose of this research program is to identify and evaluate a variety of additives capable of increasing particle cohesion which could be used for improving collection efficiency in an ESP. A three-phase screening process will be used to provide the, evaluation of many additives in a logical and cost-effective manner. The three step approach involves the following experimental setups: 1. Provide a preliminary screening in the laboratory by measuring the effects of various conditioning agents on reentrainment of flyash particles in an electric field operating at simulated flue gas conditions. 2. Evaluate the successful additives using a 100 acfmmore » bench-scale ESP operating on actual flue gas. 3. Obtain the data required for scaling up the technology by testing the two or three most promising conditioning agents at the pilot scale.« less

Fe embedded in ice: The impacts of sublimation and energetic particle bombardment

NASA Astrophysics Data System (ADS)

Frankland, Victoria L.; Plane, John M. C.

2015-05-01

Icy particles containing a variety of Fe compounds are present in the upper atmospheres of planets such as the Earth and Saturn. In order to explore the role of ice sublimation and energetic ion bombardment in releasing Fe species into the gas phase, Fe-dosed ice films were prepared under UHV conditions in the laboratory. Temperature-programmed desorption studies of Fe/H2O films revealed that no Fe atoms or Fe-containing species co-desorbed along with the H2O molecules. This implies that when noctilucent ice cloud particles sublimate in the terrestrial mesosphere, the metallic species embedded in them will coalesce to form residual particles. Sputtering of the Fe-ice films by energetic Ar+ ions was shown to be an efficient mechanism for releasing Fe into the gas phase, with a yield of 0.08 (Ar+ energy=600 eV). Extrapolating with a semi-empirical sputtering model to the conditions of a proton aurora indicates that sputtering by energetic protons (>100 keV) should also be efficient. However, the proton flux in even an intense aurora will be too low for the resulting injection of Fe species into the gas phase to compete with that from meteoric ablation. In contrast, sputtering of the icy particles in the main rings of Saturn by energetic O+ ions may be the source of recently observed Fe+ in the Saturnian magnetosphere. Electron sputtering (9.5 keV) produced no detectable Fe atoms or Fe-containing species. Finally, it was observed that Fe(OH)2 was produced when Fe was dosed onto an ice film at 140 K (but not at 95 K). Electronic structure theory shows that the reaction which forms this hydroxide from adsorbed Fe has a large barrier of about 0.7 eV, from which we conclude that the reaction requires both translationally hot Fe atoms and mobile H2O molecules on the ice surface.

Native top-down mass spectrometry for the structural characterization of human hemoglobin

DOE PAGES

Zhang, Jiang; Malmirchegini, G. Reza; Clubb, Robert T.; ...

2015-06-09

Native mass spectrometry (MS) has become an invaluable tool for the characterization of proteins and non-covalent protein complexes under near physiological solution conditions. Here we report the structural characterization of human hemoglobin (Hb), a 64 kDa oxygen-transporting protein complex, by high resolution native top-down mass spectrometry using electrospray ionization (ESI) and a 15-Tesla Fourier transform ion cyclotron resonance (FTICR) mass spectrometer. Native MS preserves the non-covalent interactions between the globin subunits, and electron capture dissociation (ECD) produces fragments directly from the intact Hb complex without dissociating the subunits. Using activated ion ECD, we observe the gradual unfolding process of themore » Hb complex in the gas phase. Without protein ion activation, the native Hb shows very limited ECD fragmentation from the N-termini, suggesting a tightly packed structure of the native complex and therefore low fragmentation efficiency. Precursor ion activation allows steady increase of N-terminal fragment ions, while the C-terminal fragments remain limited (38 c ions and 4 z ions on the α chain; 36 c ions and 2 z ions on the β chain). This ECD fragmentation pattern suggests that upon activation, the Hb complex starts to unfold from the N-termini of both subunits, whereas the C-terminal regions and therefore the potential regions involved in the subunit binding interactions remain intact. ECD-MS of the Hb dimer show similar fragmentation patterns as the Hb tetramer, providing further evidence for the hypothesized unfolding process of the Hb complex in the gas phase. Native top-down ECD-MS allows efficient probing of the Hb complex structure and the subunit binding interactions in the gas phase. Finally, it may provide a fast and effective means to probe the structure of novel protein complexes that are intractable to traditional structural characterization tools.« less

Preparation of novel alumina nanowire solid-phase microextraction fiber coating for ultra-selective determination of volatile esters and alcohols from complicated food samples.

PubMed

Zhang, Zhuomin; Ma, Yunjian; Wang, Qingtang; Chen, An; Pan, Zhuoyan; Li, Gongke

2013-05-17

A novel alumina nanowire (ANW) solid-phase microextraction (SPME) fiber coating was prepared by a simple and rapid anodization-chemical etching method for ultra-selective determination of volatile esters and alcohols from complicated food samples. Preparation conditions for ANW SPME fiber coating including corrosion solution concentration and corrosion time were optimized in detail for better surface morphology and higher surface area based on scanning electron microscope (SEM). Under the optimum conditions, homogeneous alumina nanowire structure of ANW SPME fiber coating was achieved with the average thickness of 20 μm around. Compared with most of commercial SPME fiber coatings, ANW SPME fiber coatings achieved the higher extraction capacity and special selectivity for volatile esters and alcohols. Finally, an efficient gas sampling technique based on ANW SPME fiber coating as the core was established and successfully applied for the ultra-selective determination of trace volatile esters and alcohols from complicated banana and fermented glutinous rice samples coupled with gas chromatography/mass spectrometry (GC/MS) detection. It was interesting that 25 esters and 2 alcohols among 30 banana volatile organic compounds (VOCs) identified and 4 esters and 7 alcohols among 13 identified VOCs of fermented glutinous rice were selectively sampled by ANW SPME fiber coatings. Furthermore, new analytical methods for the determination of some typical volatile esters and alcohols from banana and fermented glutinous rice samples at specific storage or brewing phases were developed and validated. Good recoveries for banana and fermented glutinous rice samples were achieved in range of 108-115% with relative standard deviations (RSDs) of 2.6-6.7% and 80.0-91.8% with RSDs of 0.3-1.3% (n=3), respectively. This work proposed a novel and efficient gas sampling technique of ANW SPME which was quite suitable for ultra-selectively sampling trace volatile esters and alcohols from complicated food samples. Copyright © 2013 Elsevier B.V. All rights reserved.

Numerical Computation of Flame Spread over a Thin Solid in Forced Concurrent Flow with Gas-phase Radiation

NASA Technical Reports Server (NTRS)

Jiang, Ching-Biau; T'ien, James S.

1994-01-01

Excerpts from a paper describing the numerical examination of concurrent-flow flame spread over a thin solid in purely forced flow with gas-phase radiation are presented. The computational model solves the two-dimensional, elliptic, steady, and laminar conservation equations for mass, momentum, energy, and chemical species. Gas-phase combustion is modeled via a one-step, second order finite rate Arrhenius reaction. Gas-phase radiation considering gray non-scattering medium is solved by a S-N discrete ordinates method. A simplified solid phase treatment assumes a zeroth order pyrolysis relation and includes radiative interaction between the surface and the gas phase.

Chemical complexity induced by efficient ice evaporation in the Barnard 5 molecular cloud

NASA Astrophysics Data System (ADS)

Taquet, V.; Wirström, E. S.; Charnley, S. B.; Faure, A.; López-Sepulcre, A.; Persson, C. M.

2017-10-01

Cold gas-phase water has recently been detected in a cold dark cloud, Barnard 5 located in the Perseus complex, by targeting methanol peaks as signposts for ice mantle evaporation. Observed morphology and abundances of methanol and water are consistent with a transient non-thermal evaporation process only affecting the outermost ice mantle layers, possibly triggering a more complex chemistry. Here we present the detection of the complex organic molecules (COMs) acetaldehyde (CH3CHO) and methyl formate (CH3OCHO), as well as formic acid (HCOOH) and ketene (CH2CO), and the tentative detection of di-methyl ether (CH3OCH3) towards the "methanol hotspot" of Barnard 5 located between two dense cores using the single dish OSO 20 m, IRAM 30 m, and NRO 45 m telescopes. The high energy cis-conformer of formic acid is detected, suggesting that formic acid is mostly formed at the surface of interstellar grains and then evaporated. The detection of multiple transitions for each species allows us to constrain their abundances through LTE and non-LTE methods. All the considered COMs show similar abundances between 1 and 10% relative to methanol depending on the assumed excitation temperature. The non-detection of glycolaldehyde, an isomer of methyl formate, with a [glycolaldehyde]/[methyl formate] abundance ratio lower than 6%, favours gas phase formation pathways triggered by methanol evaporation. According to their excitation temperatures derived in massive hot cores, formic acid, ketene, and acetaldehyde have been designated as "lukewarm" COMs whereas methyl formate and di-methyl ether were defined as "warm" species. Comparison with previous observations of other types of sources confirms that lukewarm and warm COMs show similar abundances in low-density cold gas whereas the warm COMs tend to be more abundant than the lukewarm species in warm protostellar cores. This abundance evolution suggests either that warm COMs are indeed mostly formed in protostellar environments and/or that lukewarm COMs are efficiently depleted by increased hydrogenation efficiency around protostars.

Bacterial chemotaxis along vapor-phase gradients of naphthalene.

PubMed

Hanzel, Joanna; Harms, Hauke; Wick, Lukas Y

2010-12-15

The role of bacterial growth and translocation for the bioremediation of organic contaminants in the vadose zone is poorly understood. Whereas air-filled pores restrict the mobility of bacteria, diffusion of volatile organic compounds in air is more efficient than in water. Past research, however, has focused on chemotactic swimming of bacteria along gradients of water-dissolved chemicals. In this study we tested if and to what extent Pseudomonas putida PpG7 (NAH7) chemotactically reacts to vapor-phase gradients forming above their swimming medium by the volatilization from a spot source of solid naphthalene. The development of an aqueous naphthalene gradient by air-water partitioning was largely suppressed by means of activated carbon in the agar. Surprisingly, strain PpG7 was repelled by vapor-phase naphthalene although the steady state gaseous concentrations were 50-100 times lower than the aqueous concentrations that result in positive chemotaxis of the same strain. It is thus assumed that the efficient gas-phase diffusion resulting in a steady, and possibly toxic, naphthalene flux to the cells controlled the chemotactic reaction rather than the concentration to which the cells were exposed. To our knowledge this is the first demonstration of apparent chemotactic behavior of bacteria in response to vapor-phase effector gradients.

Minnesota agripower project. Quarterly report, April--June 1997

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baloun, J.

The Minnesota Valley Alfalfa Producers (MnVAP) propose to build an alfalfa processing plant integrated with an advanced power plant system at the Granite Falls, Minnesota Industrial Park to provide 75 MW of base load electric power and a competitively priced source of value added alfalfa based products. This project will utilize air blown fluidized bed gasification technology to process alfalfa stems and another biomass to produce a hot, clean, low heating value gas that will be used in a gas turbine. Exhaust heat from the gas turbine will be used to generate steam to power a steam turbine and providemore » steam for the processing of the alfalfa leaf into a wide range of products including alfalfa leaf meal, a protein source for livestock. The plant will demonstrate high efficiency and environmentally compatible electric power production, as well as increased economic yield from farm operations in the region. The initial phase of the Minnesota Agripower Project (MAP) will be to perform alfalfa feedstock testing, prepare preliminary designs, and develop detailed plans with estimated costs for project implementation. The second phase of MAP will include detailed engineering, construction, and startup. Full commercial operation will start in 2001.« less

[Corrected Title: Solid-Phase Extraction of Polar Compounds from Water] Automated Electrostatics Environmental Chamber

NASA Technical Reports Server (NTRS)

Sauer, Richard; Rutz, Jeffrey; Schultz, John

2005-01-01

A solid-phase extraction (SPE) process has been developed for removing alcohols, carboxylic acids, aldehydes, ketones, amines, and other polar organic compounds from water. This process can be either a subprocess of a water-reclamation process or a means of extracting organic compounds from water samples for gas-chromatographic analysis. This SPE process is an attractive alternative to an Environmental Protection Administration liquid-liquid extraction process that generates some pollution and does not work in a microgravitational environment. In this SPE process, one forces a water sample through a resin bed by use of positive pressure on the upstream side and/or suction on the downstream side, thereby causing organic compounds from the water to be adsorbed onto the resin. If gas-chromatographic analysis is to be done, the resin is dried by use of a suitable gas, then the adsorbed compounds are extracted from the resin by use of a solvent. Unlike the liquid-liquid process, the SPE process works in both microgravity and Earth gravity. In comparison with the liquid-liquid process, the SPE process is more efficient, extracts a wider range of organic compounds, generates less pollution, and costs less.

Measurement of Biologically Available Naphthalene in Gas and Aqueous Phases by Use of a Pseudomonas putida Biosensor

PubMed Central

Werlen, Christoph; Jaspers, Marco C. M.; van der Meer, Jan Roelof

2004-01-01

Genetically constructed microbial biosensors for measuring organic pollutants are mostly applied in aqueous samples. Unfortunately, the detection limit of most biosensors is insufficient to detect pollutants at low but environmentally relevant concentrations. However, organic pollutants with low levels of water solubility often have significant gas-water partitioning coefficients, which in principle makes it possible to measure such compounds in the gas rather than the aqueous phase. Here we describe the first use of a microbial biosensor for measuring organic pollutants directly in the gas phase. For this purpose, we reconstructed a bioluminescent Pseudomonas putida naphthalene biosensor strain to carry the NAH7 plasmid and a chromosomally inserted gene fusion between the sal promoter and the luxAB genes. Specific calibration studies were performed with suspended and filter-immobilized biosensor cells, in aqueous solution and in the gas phase. Gas phase measurements with filter-immobilized biosensor cells in closed flasks, with a naphthalene-contaminated aqueous phase, showed that the biosensor cells can measure naphthalene effectively. The biosensor cells on the filter responded with increasing light output proportional to the naphthalene concentration added to the water phase, even though only a small proportion of the naphthalene was present in the gas phase. In fact, the biosensor cells could concentrate a larger proportion of naphthalene through the gas phase than in the aqueous suspension, probably due to faster transport of naphthalene to the cells in the gas phase. This led to a 10-fold lower detectable aqueous naphthalene concentration (50 nM instead of 0.5 μM). Thus, the use of bacterial biosensors for measuring organic pollutants in the gas phase is a valid method for increasing the sensitivity of these valuable biological devices. PMID:14711624

On the star-forming ability of Molecular Clouds

NASA Astrophysics Data System (ADS)

Anathpindika, S.; Burkert, A.; Kuiper, R.

2018-02-01

The star-forming ability of a molecular cloud depends on the fraction of gas it can cycle into the dense-phase. Consequently, one of the crucial questions in reconciling star formation in clouds is to understand the factors that control this process. While it is widely accepted that the variation in ambient conditions can alter significantly the ability of a cloud to spawn stars, the observed variation in the star-formation rate in nearby clouds that experience similar ambient conditions, presents an interesting question. In this work, we attempted to reconcile this variation within the paradigm of colliding flows. To this end we develop self-gravitating, hydrodynamic realizations of identical flows, but allowed to collide off-centre. Typical observational diagnostics such as the gas-velocity dispersion, the fraction of dense-gas, the column density distribution (N-PDF), the distribution of gas mass as a function of K-band extinction and the strength of compressional/solenoidal modes in the post-collision cloud were deduced for different choices of the impact parameter of collision. We find that a strongly sheared cloud is terribly inefficient in cycling gas into the dense phase and that such a cloud can possibly reconcile the sluggish nature of star formation reported for some clouds. Within the paradigm of cloud formation via colliding flows this is possible in case of flows colliding with a relatively large impact parameter. We conclude that compressional modes - though probably essential - are insufficient to ensure a relatively higher star-formation efficiency in a cloud.

Application of modern online instrumentation for chemical analysis of gas and particulate phases of exhaust at the European Commission heavy-duty vehicle emission laboratory.

PubMed

Adam, T W; Chirico, R; Clairotte, M; Elsasser, M; Manfredi, U; Martini, G; Sklorz, M; Streibel, T; Heringa, M F; Decarlo, P F; Baltensperger, U; De Santi, G; Krasenbrink, A; Zimmermann, R; Prevot, A S H; Astorga, C

2011-01-01

The European Commission recently established a novel test facility for heavy-duty vehicles to enhance more sustainable transport. The facility enables the study of energy efficiency of various fuels/scenarios as well as the chemical composition of evolved exhaust emissions. Sophisticated instrumentation for real-time analysis of the gas and particulate phases of exhaust has been implemented. Thereby, gas-phase characterization was carried out by a Fourier transform infrared spectrometer (FT-IR; carbonyls, nitrogen-containing species, small hydrocarbons) and a resonance-enhanced multiphoton ionization time-of-flight mass spectrometer (REMPI-TOFMS; monocyclic and polycyclic aromatic hydrocarbons). For analysis of the particulate phase, a high-resolution time-of-flight aerosol mass spectrometer (HR-TOF-AMS; organic matter, chloride, nitrate), a condensation particle counter (CPC; particle number), and a multiangle absorption photometer (MAAP; black carbon) were applied. In this paper, the first application of the new facility in combination with the described instruments is presented, whereby a medium-size truck was investigated by applying different driving cycles. The goal was simultaneous chemical characterization of a great variety of gaseous compounds and particulate matter in exhaust on a real-time basis. The time-resolved data allowed new approaches to view the results; for example, emission factors were normalized to time-resolved consumption of fuel and were related to emission factors evolved during high speeds. Compounds could be identified that followed the fuel consumption, others showed very different behavior. In particular, engine cold start, engine ignition (unburned fuel), and high-speed events resulted in unique emission patterns.

Correct numerical simulation of a two-phase coolant

NASA Astrophysics Data System (ADS)

Kroshilin, A. E.; Kroshilin, V. E.

2016-02-01

Different models used in calculating flows of a two-phase coolant are analyzed. A system of differential equations describing the flow is presented; the hyperbolicity and stability of stationary solutions of the system is studied. The correctness of the Cauchy problem is considered. The models' ability to describe the following flows is analyzed: stable bubble and gas-droplet flows; stable flow with a level such that the bubble and gas-droplet flows are observed under and above it, respectively; and propagation of a perturbation of the phase concentration for the bubble and gas-droplet media. The solution of the problem about the breakdown of an arbitrary discontinuity has been constructed. Characteristic times of the development of an instability at different parameters of the flow are presented. Conditions at which the instability does not make it possible to perform the calculation are determined. The Riemann invariants for the nonlinear problem under consideration have been constructed. Numerical calculations have been performed for different conditions. The influence of viscosity on the structure of the discontinuity front is studied. Advantages of divergent equations are demonstrated. It is proven that a model used in almost all known investigating thermohydraulic programs, both in Russia and abroad, has significant disadvantages; in particular, it can lead to unstable solutions, which makes it necessary to introduce smoothing mechanisms and a very small step for describing regimes with a level. This does not allow one to use efficient numerical schemes for calculating the flow of two-phase currents. A possible model free from the abovementioned disadvantages is proposed.

Approximation for discrete Fourier transform and application in study of three-dimensional interacting electron gas.

PubMed

Yan, Xin-Zhong

2011-07-01

The discrete Fourier transform is approximated by summing over part of the terms with corresponding weights. The approximation reduces significantly the requirement for computer memory storage and enhances the numerical computation efficiency with several orders without losing accuracy. As an example, we apply the algorithm to study the three-dimensional interacting electron gas under the renormalized-ring-diagram approximation where the Green's function needs to be self-consistently solved. We present the results for the chemical potential, compressibility, free energy, entropy, and specific heat of the system. The ground-state energy obtained by the present calculation is compared with the existing results of Monte Carlo simulation and random-phase approximation.

Energy Conversion Alternatives Study (ECAS), Westinghouse phase 1. Volume 8: Open-cycle MHD. [energy conversion efficiency and design analysis of electric power plants employing magnetohydrodynamics

NASA Technical Reports Server (NTRS)

Hoover, D. Q.

1976-01-01

Electric power plant costs and efficiencies are presented for three basic open-cycle MHD systems: (1) direct coal fired system, (2) a system with a separately fired air heater, and (3) a system burning low-Btu gas from an integrated gasifier. Power plant designs were developed corresponding to the basic cases with variation of major parameters for which major system components were sized and costed. Flow diagrams describing each design are presented. A discussion of the limitations of each design is made within the framework of the assumptions made.

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Generation of singlet oxygen in fullerene-containing media: 1. Photodesorption of singlet oxygen from fullerene-containing surfaces

NASA Astrophysics Data System (ADS)

Belousova, I. M.; Belousov, V. P.; Danilov, O. B.; Ermakov, A. V.; Kiselev, V. M.; Kislyakov, I. M.; Sosnov, E. N.

2008-03-01

It is shown that upon irradiation of fullerene-containing surfaces by laser or flashlamp pulses, oxygen adsorbed by these surfaces efficiently escapes to the gas phase. The observation of luminescence pulses in the spectral region of 762 and 1268 nm confirms the presence of oxygen molecules in the excited singlet state in the desorbed oxygen. The conditions for optimisation of the efficiency of singlet-oxygen production are studied. It is shown that singlet oxygen at the concentration sufficient for obtaining operation of a fullerene-oxygen-iodine laser can be produced in this way.

Direct work function measurement by gas phase photoelectron spectroscopy and its application on PbS nanoparticles.

PubMed

Axnanda, Stephanus; Scheele, Marcus; Crumlin, Ethan; Mao, Baohua; Chang, Rui; Rani, Sana; Faiz, Mohamed; Wang, Suidong; Alivisatos, A Paul; Liu, Zhi

2013-01-01

Work function is a fundamental property of a material's surface. It is playing an ever more important role in engineering new energy materials and efficient energy devices, especially in the field of photovoltaic devices, catalysis, semiconductor heterojunctions, nanotechnology, and electrochemistry. Using ambient pressure X-ray photoelectron spectroscopy (APXPS), we have measured the binding energies of core level photoelectrons of Ar gas in the vicinity of several reference materials with known work functions (Au(111), Pt(111), graphite) and PbS nanoparticles. We demonstrate an unambiguously negative correlation between the work functions of reference samples and the binding energies of Ar 2p core level photoelectrons detected from the Ar gas near the sample surface region. Using this experimentally determined linear relationship between the surface work function and Ar gas core level photoelectron binding energy, we can measure the surface work function of different materials under different gas environments. To demonstrate the potential applications of this ambient pressure XPS technique in nanotechnology and solar energy research, we investigate the work functions of PbS nanoparticles with various capping ligands: methoxide, mercaptopropionic acid, and ethanedithiol. Significant Fermi level position changes are observed for PbS nanoparticles when the nanoparticle size and capping ligands are varied. The corresponding changes in the valence band maximum illustrate that an efficient quantum dot solar cell design has to take into account the electrochemical effect of the capping ligand as well.

An Introduction to the Gas Phase

NASA Astrophysics Data System (ADS)

Vallance, Claire

2017-11-01

'An Introduction to the Gas Phase' is adapted from a set of lecture notes for a core first year lecture course in physical chemistry taught at the University of Oxford. The book is intended to give a relatively concise introduction to the gas phase at a level suitable for any undergraduate scientist. After defining the gas phase, properties of gases such as temperature, pressure, and volume are discussed. The relationships between these properties are explained at a molecular level, and simple models are introduced that allow the various gas laws to be derived from first principles. Finally, the collisional behaviour of gases is used to explain a number of gas-phase phenomena, such as effusion, diffusion, and thermal conductivity.

Pneumatic fracturing of low permeability media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schuring, J.R.

1996-08-01

Pneumatic fracturing of soils to enhance the removal and treatment of dense nonaqueous phase liquids is described. The process involves gas injection at a pressure exceeding the natural stresses and at a flow rate exceeding the permeability of the formation. The paper outlines geologic considerations, advantages and disadvantages, general technology considerations, low permeability media considerations, commercial availability, efficiency, and costs. Five case histories of remediation using pneumatic fracturing are briefly summarized. 11 refs., 2 figs., 1 tab.

Electrolytic hydriding of LaFe(13-x)Si(x) alloys for energy efficient magnetic cooling.

PubMed

Lyubina, Julia; Hannemann, Ullrich; Ryan, Mary P; Cohen, Lesley F

2012-04-17

An effective, low-temperature and readily available electrochemical method for tuning the operation temperature of LaFe(13-x)Si(x)-type alloys is demonstrated. Electrolytically hydrided materials have the same high level magnetic properties as in high temperature gas-phase processed materials and offer an advantage of higher hydrogen absorption rate in the ferromagnetic state. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Laboratory chemistry and stratospheric clouds

NASA Technical Reports Server (NTRS)

Molina, Mario J.

1989-01-01

Results are presented from laboratory experiments on the chemistry of ice particles to study the role of HCl and ClONO2 from CFCs in stratospheric ozone depletion over Antarctica. It is found that gaseous HCl is scavenged with high efficiency by the ice and the gas phase chlorine nitrate may react with the HCL-containing ice to produce Cl2. Also, consideration is given ot the behavior of solid nitric acid trihydrate and sulfuric acid aerosols.

High Selectivity Gas Separation Membrane Assemblies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nachlas, Jesse; Corn, Isaac; Wegst, Ulrike

Global energy consumption is projected to be more than double of today’s levels by 2050. Economic and environmental pressures are putting significant limits on fossil fuel resources, and there is a significant push for improved efficiency in many industrial processes. Membranes for gas separation represent a significant opportunity for reduced energy consumption and improved efficiencies in a wide range of industrial applications by replacing typical high temperature processes or energy intensive processes with low temperature energy efficient processes. Carbon membranes represent an attractive class of membrane materials that offer the potential to improve the reliability, corrosion resistance and temperature capabilitymore » of polymeric membranes, which limit their adoption for many industrial applications. However, there are still a number of technical hurdles which must be overcome before carbon membranes can be made commercially ready including elimination of manufacturing defects, and improved performance (permeability and selectivity) relative to polymeric membranes. Examples of potential application of carbon membranes include production of oxygen enriched air (OEA) for combustion applications, separation of carbon dioxide (CO 2) from flue gas to improve the commercial feasibility of CO 2 sequestration, separation of hydrogen from CO/CO 2 during hydrogen manufacturing, and separation of H 2 from hydrocarbons during refinery operations to improve the kinetics of cracking reactions. As a result of these benefits there is a strong driving force to develop processing technologies capable of producing carbon membranes and possessing high reliability, for a wide range of applications. The DOE provides significant support for research and development is this area, as they have recognized the significant impact a low cost carbon membrane technology can have on energy consumption and polluting emissions across a broad range of industrial applications. In this SBIR Phase I project, we developed a novel polymer precursor composition, which led to highly reproducible crack-free porous carbon membranes that were capable of producing 30-50% oxygen for OEA from a pressurized air feed, thereby meeting the primary Phase I objective, and possessing a selectivity of ~20:1 for CO 2/N 2 separation. We also successfully developed a method for fabricating a ceramic support from low-cost fly ash. In general, the effectiveness of a carbon membrane at separating various gases is a function of the pore structure and size. The novel processing method utilized is capable of accurately controlling pore structure during the fabrication process opening the possibility to create a membrane technology platform that can operate across a broad range of gas compositions and applications. Nanoporous carbon membrane technology offers a very attractive option for important industrial gas separation processes that are typically energy intensive and expensive to install and operate. Highly efficient gas separation represents a key enabling technology for increasing efficiency and lowering cost in various applications involving advanced power generation systems, metallurgical operations and chemical processes. These benefits will be translated to the public through lower cost for goods and services in addition to lower cost for energy. Increased national security will come from decreased dependence on imported oil by making local resources, such as coal and natural gas, competitive in energy generation markets. Finally, making low cost oxygen available in these industries results in cleaner power production and reduced emissions of polluting gases.« less

Importance of the gas phase role to the prediction of energetic material behavior: An experimental study

NASA Astrophysics Data System (ADS)

Ali, A. N.; Son, S. F.; Asay, B. W.; Sander, R. K.

2005-03-01

Various thermal (radiative, conductive, and convective) initiation experiments are performed to demonstrate the importance of the gas phase role in combustion modeling of energetic materials (EM). A previously published condensed phase model that includes a predicted critical irradiance above which ignition is not possible is compared to experimental laser ignition results for octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and 2,4,6-trinitrotoluene (TNT). Experimental results conflict with the predicted critical irradiance concept. The failure of the model is believed to result from a misconception about the role of the gas phase in the ignition process of energetic materials. The model assumes that ignition occurs at the surface and that evolution of gases inhibits ignition. High speed video of laser ignition, oven cook-off and hot wire ignition experiments captures the ignition of HMX and TNT in the gas phase. A laser ignition gap test is performed to further evaluate the effect of gas phase laser absorption and gas phase disruption on the ignition process. Results indicate that gas phase absorption of the laser energy is probably not the primary factor governing the gas phase ignition observations. It is discovered that a critical gap between an HMX pellet and a salt window of 6mm±0.4mm exists below which ignition by CO2 laser is not possible at the tested irradiances of 29W /cm2 and 38W/cm2 for HMX ignition. These observations demonstrate that a significant disruption of the gas phase, in certain scenarios, will inhibit ignition, independent of any condensed phase processes. These results underscore the importance of gas phase processes and illustrate that conditions can exist where simple condensed phase models are inadequate to accurately predict the behavior of energetic materials.

Effect of Off-Body Laser Discharge on Drag Reduction of Hemisphere Cylinder in Supersonic Flow

NASA Technical Reports Server (NTRS)

Kianvashrad, Nadia; Knight, Doyle; Wilkinson, Stephen P.; Chou, Amanda; Horne, Robert A.; Herring, Gregory C.; Beeler, George B.; Jangda, Moazzam

2017-01-01

The interaction of an off-body laser discharge with a hemisphere cylinder in supersonic flow is investigated. The objectives are 1) experimental determination of the drag reduction and energetic efficiency of the laser discharge, and 2) assessment of the capability for accurate simulation of the interaction. The combined computational and experimental study comprises two phases. In the first phase, laser discharge in quiescent air was examined. The temporal behavior of the shock wave formed by the laser discharge was compared between experiment and simulation and good agreement is observed. In the second phase, the interaction of the laser discharge with a hemisphere cylinder was investigated numerically. Details of the pressure drag reduction and the physics of the interaction of the heated region with the bow shock are included. The drag reduction due to this interaction persisted for about five characteristic times where one characteristic time represents the time for the flow to move a distance equal to the hemisphere radius. The energetic efficiency of laser discharge for the case with 50 mJ energy absorbed by the gas is calculated as 3.22.

Fuel-Flexible Gasification-Combustion Technology for Production of H2 and Sequestration-Ready CO2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parag Kulkarni; Jie Guan; Raul Subia

In the near future, the nation will continue to rely on fossil fuels for electricity, transportation, and chemicals. It is necessary to improve both the process efficiency and environmental impact of fossil fuel utilization including greenhouse gas management. GE Global Research (GEGR) investigated an innovative fuel-flexible Unmixed Fuel Processor (UFP) technology with potential to produce H{sub 2}, power, and sequestration-ready CO{sub 2} from coal and other solid fuels. The UFP technology offers the long-term potential for reduced cost, increased process efficiency relative to conventional gasification and combustion systems, and near-zero pollutant emissions. GE was awarded a contract from U.S. DOEmore » NETL to investigate and develop the UFP technology. Work started on the Phase I program in October 2000 and on the Phase II effort in April 2005. In the UFP technology, coal, water and air are simultaneously converted into (1) hydrogen rich stream that can be utilized in fuel cells or turbines, (2) CO{sub 2} rich stream for sequestration, and (3) high temperature/pressure vitiated air stream to produce electricity in a gas turbine expander. The process produces near-zero emissions with an estimated efficiency higher than Integrated Gasification Combined Cycle (IGCC) process with conventional CO{sub 2} separation. The Phase I R&D program established the chemical feasibility of the major reactions of the integrated UFP technology through lab-, bench- and pilot-scale testing. A risk analysis session was carried out at the end of Phase I effort to identify the major risks in the UFP technology and a plan was developed to mitigate these risks in the Phase II of the program. The Phase II effort focused on three high-risk areas: economics, lifetime of solids used in the UFP process, and product gas quality for turbines (or the impact of impurities in the coal on the overall system). The economic analysis included estimating the capital cost as well as the costs of hydrogen and electricity for a full-scale UFP plant. These costs were benchmarked with IGCC polygen plants with similar level of CO{sub 2} capture. Based on the promising economic analysis comparison results (performed with the help from Worley Parsons), GE recommended a 'Go' decision in April 2006 to continue the experimental investigation of the UFP technology to address the remaining risks i.e. solids lifetime and the impact of impurities in the coal on overall system. Solids attrition and lifetime risk was addressed via bench-scale experiments that monitor solids performance over time and by assessing materials interactions at operating conditions. The product gas under the third reactor (high-temperature vitiated air) operating conditions was evaluated to assess the concentration of particulates, pollutants and other impurities relative to the specifications required for gas turbine feed streams. During this investigation, agglomeration of solids used in the UFP process was identified as a serious risk that impacts the lifetime of the solids and in turn feasibility of the UFP technology. The main causes of the solids agglomeration were the combination of oxygen transfer material (OTM) reduction at temperatures {approx}1000 C and interaction between OTM and CO{sub 2} absorbing material (CAM) at high operating temperatures (>1200 C). At the end of phase II, in March 2008, GEGR recommended a 'No-go' decision for taking the UFP technology to the next level of development, i.e. development of a 3-5 MW prototype system, at this time. GEGR further recommended focused materials development research programs on improving the performance and lifetime of solids materials used in UFP or chemical looping technologies. The scale-up activities would be recommended only after mitigating the risks involved with the agglomeration and overall lifetime of the solids. This is the final report for the phase II of the DOE-funded Vision 21 program entitled 'Fuel-Flexible Gasification-Combustion Technology for Production of H{sub 2} and Sequestration-Ready CO{sub 2}' (DOE Award No. DE-FC26-00NT40974). The report focuses on the major accomplishments and lessons learned in analyzing the risks of the novel UFP technology during Phase II of the DOE program.« less

Monitoring of energy efficiency of technological modes of gas transport using modern gas-turbine equipment

NASA Astrophysics Data System (ADS)

Golik, V. V.; Zemenkova, M. Yu; Shipovalov, A. N.; Akulov, K. A.

2018-05-01

The paper presents calculations and an example of energy efficiency justification of the regimes of the equipment used. The engineering design of the gas pipeline in the part of monitoring the energy efficiency of a gas compressor unit (GCU) is considered. The results of the GCU characteristics and its components evaluation are described. The evaluation results of the energy efficiency indicators of the gas pipeline are presented. As an example of the result of the analysis, it is proposed to use gas compressor unit GCU-32 "Ladoga" because of its efficiency and cost effectiveness, in comparison with analogues.

Application of ozone micro-nano-bubbles to groundwater remediation.

PubMed

Hu, Liming; Xia, Zhiran

2018-01-15

Ozone is widely used for water treatment because of its strong oxidation ability. However, the efficiency of ozone in groundwater remediation is limited because of its relatively low solubility and rapid decomposition in the aqueous phase. Methods for increasing the stability of ozone within the subsurface are drawing increasing attention. Micro-nano-bubbles (MNBs), with diameters ranging from tens of nanometres to tens of micrometres, present rapid mass transfer rates, persist for a relatively long time in water, and transport with groundwater flow, which significantly improve gas concentration and provide a continuous gas supply. Therefore, MNBs show a considerable potential for application in groundwater remediation. In this study, the characteristics of ozone MNBs were examined, including their size distribution, bubble quantity, and zeta potential. The mass transfer rate of ozone MNBs was experimentally investigated. Ozone MNBs were then used to treat organics-contaminated water, and they showed remarkable cleanup efficiency. Column tests were also conducted to study the efficiency of ozone MNBs for organics-contaminated groundwater remediation. Based on the laboratory tests, field monitoring was conducted on a trichloroethylene (TCE)-contaminated site. The results showed that ozone MNBs can greatly improve remediation efficiency and represent an innovative technology for in situ remediation of organics-contaminated groundwater. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

Development of a process for efficient use of CO2 from flue gases in the production of photosynthetic microorganisms.

PubMed

González-López, C V; Acién Fernández, F G; Fernández-Sevilla, J M; Sánchez Fernández, J F; Molina Grima, E

2012-07-01

A new methodology to use efficiently flue gases as CO(2) source in the production of photosynthetic microorganisms is proposed. The CO(2) is absorbed in an aqueous phase that is then regenerated by microalgae. Carbonated solutions could absorb up to 80% of the CO(2) from diluted gas reaching total inorganic carbon (TIC) concentrations up to 2.0 g/L. The pH of the solution was maintained at 8.0-10.0 by the bicarbonate/carbonate buffer, so it is compatible with biological regeneration. The absorption process was modeled and the kinetic parameters were determined. Anabaena sp. demonstrated to tolerate pH (8.0-10.0) and TIC (up to 2.0 g/L) conditions imposed by the absorption step. Experiments of regeneration of the liquid phase demonstrated the feasibility of the overall process, converting CO(2) into organic matter. The developed process avoids heating to regenerate the liquid whereas maximizing the efficiency of CO(2) use, which is relevant to achieve the commercial production of biofuels from microalgae. Copyright © 2012 Wiley Periodicals, Inc.

Wavepacket dynamics and the multi-configurational time-dependent Hartree approach

NASA Astrophysics Data System (ADS)

Manthe, Uwe

2017-06-01

Multi-configurational time-dependent Hartree (MCTDH) based approaches are efficient, accurate, and versatile methods for high-dimensional quantum dynamics simulations. Applications range from detailed investigations of polyatomic reaction processes in the gas phase to high-dimensional simulations studying the dynamics of condensed phase systems described by typical solid state physics model Hamiltonians. The present article presents an overview of the different areas of application and provides a comprehensive review of the underlying theory. The concepts and guiding ideas underlying the MCTDH approach and its multi-mode and multi-layer extensions are discussed in detail. The general structure of the equations of motion is highlighted. The representation of the Hamiltonian and the correlated discrete variable representation (CDVR), which provides an efficient multi-dimensional quadrature in MCTDH calculations, are discussed. Methods which facilitate the calculation of eigenstates, the evaluation of correlation functions, and the efficient representation of thermal ensembles in MCTDH calculations are described. Different schemes for the treatment of indistinguishable particles in MCTDH calculations and recent developments towards a unified multi-layer MCTDH theory for systems including bosons and fermions are discussed.

Enabling Large Superalloy Parts Using Compact Coprecipitation of γ' and γ''

NASA Astrophysics Data System (ADS)

Detor, Andrew J.; DiDomizio, Richard; Sharghi-Moshtaghin, Reza; Zhou, Ning; Shi, Rongpei; Wang, Yunzhi; McAllister, Donald P.; Mills, Michael J.

2018-03-01

Next-generation gas turbines will require disk materials capable of operating at 923 K (650 °C) and above to achieve efficiencies well beyond today's 62 pct benchmark. This temperature requirement marks a critical turning point in materials selection. Current turbine disk alloys, such as 706 and 718, are limited by the stability of their major strengthening phase, γ'', which coarsens rapidly beyond 923 K (650 °C) resulting in significant degradation in properties. More capable γ' strengthened superalloys, such as those used in jet engine disks, are also limited due to the sheer size of gas turbine hardware; the γ' phase overages during the slow cooling rates inherent in processing thick-section parts. In the present work, we address this fundamental gap in available superalloy materials. Through careful control of Al, Ti, and Nb levels, we show that fine (<100 nm) γ' and compact γ'/γ'' coprecipitate structures can be formed even under extremely slow cooling rates from high temperature. The presence of Ti is shown to have a dominant effect on phase formation, dictating whether γ', γ'/γ'' coprecipitates, or other less desirable acicular phases form on cooling. Sensitivity to cooling rate and aging heat treatment is also explored. A custom phase field model along with commercial precipitation kinetics software is used to better understand the phase evolution and stability of compact coprecipitates. The alloying strategies discussed here enable a new class of superalloys suitable for applications requiring large parts operating at high temperature.

Spontaneous Charge Separation and Sublimation Processes are Ubiquitous in Nature and in Ionization Processes in Mass Spectrometry

NASA Astrophysics Data System (ADS)

Trimpin, Sarah; Lu, I.-Chung; Rauschenbach, Stephan; Hoang, Khoa; Wang, Beixi; Chubatyi, Nicholas D.; Zhang, Wen-Jing; Inutan, Ellen D.; Pophristic, Milan; Sidorenko, Alexander; McEwen, Charles N.

2018-02-01

Ionization processes have been discovered by which small and large as well as volatile and nonvolatile compounds are converted to gas-phase ions when associated with a matrix and exposed to sub-atmospheric pressure. Here, we discuss experiments further defining these simple and unexpected processes. Charge separation is found to be a common process for small molecule chemicals, solids and liquids, passed through an inlet tube from a higher to a lower pressure region, with and without heat applied. This charge separation process produces positively- and negatively-charged particles with widely different efficiencies depending on the compound and its physical state. Circumstantial evidence is presented suggesting that in the new ionization process, charged particles carry analyte into the gas phase, and desolvation of these particles produce the bare ions similar to electrospray ionization, except that solid particles appear likely to be involved. This mechanistic proposition is in agreement with previous theoretical work related to ion emission from ice.

The structure optimization of gas-phase surface discharge and its application for dye degradation

NASA Astrophysics Data System (ADS)

Ying, CAO; Jie, LI; Nan, JIANG; Yan, WU; Kefeng, SHANG; Na, LU

2018-05-01

A gas-phase surface discharge (GSD) was employed to optimize the discharge reactor structure and investigate the dye degradation. A dye mixture of methylene blue, acid orange and methyl orange was used as a model pollutant. The results indicated that the reactor structure of the GSD system with the ratio of tube inner surface area and volume of 2.48, screw pitch between a high-voltage electrode of 9.7 mm, high-voltage electrode wire diameter of 0.8 mm, dielectric tube thickness of 2.0 mm and tube inner diameter of 16.13 mm presented a better ozone (O3) generation efficiency. Furthermore, a larger screw pitch and smaller wire diameter enhanced the O3 generation. After the dye mixture degradation by the optimized GSD system, 73.21% and 50.74% of the chemical oxygen demand (COD) and total organic carbon removal rate were achieved within 20 min, respectively, and the biochemical oxygen demand (BOD) and biodegradability (BOD/COD) improved.

Gas-phase surface esterification of cellulose microfibrils and whiskers.

PubMed

Berlioz, Sophie; Molina-Boisseau, Sonia; Nishiyama, Yoshiharu; Heux, Laurent

2009-08-10

A new and highly efficient synthetic method has been developed for the surface esterification of model cellulosic substrates of high crystallinity and accessibility, namely, freeze-dried tunicin whiskers and bacterial cellulose microfibrils dried by the critical point method. The reaction, which is based on the gas-phase action of palmitoyl chloride, was monitored by solid-state CP-MAS (13)C NMR. It was found that the grafting density not only depended on the experimental conditions, but also on the nature and conditioning of the cellulose samples. The structural and morphological modifications of the substrates at various degrees of grafting were revealed by scanning electron microscopy and X-ray diffraction analysis. These characterizations indicated that the esterification proceeded from the surface of the substrate to their crystalline core. Hence, for moderate degree of substitution, the surface was fully grafted whereas the cellulose core remained unmodified and the original fibrous morphology maintained. An almost total esterification could be achieved under certain conditions, leading to highly substituted cellulose esters, presenting characteristic X-ray diffraction patterns.

A liquid-phase microextraction method, combining a dual gauge microsyringe with a hollow fiber membrane, for the determination of organochlorine pesticides in aqueous solution by gas chromatography/ion trap mass spectrometry.

PubMed

Yan, Chih-Hao; Wu, Hui-Fen

2004-01-01

A liquid-phase microextraction (LPME) method has been demonstrated for the extraction and determination of organochlorine pesticides (OCPs) in aqueous solution. The method combines a dual gauge microsyringe with a hollow fiber membrane (LPME/DGM-HF) followed by detection by gas chromatography/ion trap mass spectrometry (GC/ITMS). The advantages include speed, low solvent and sample consumption, simplicity and ease of use. The extraction time, solvent selection, salt concentration and sample stirring rate have been investigated in order to optimize extraction efficiency. The viability is evaluated by measuring the linearity and detection limit of the five OCPs in aqueous solution. Detection linearity for the OCPs has been achieved over a range of concentrations between 1 and 500 microg/L (r2 > 0.930), with a detection limit of 0.1 microg/L for each OCP. Copyright 2004 John Wiley & Sons, Ltd.

Nonadiabatic Photodynamics of a Retinal Model in Polar and Nonpolar Environment

PubMed Central

2013-01-01

The nonadiabatic photodynamics of the all-trans-2,4-pentadiene-iminium cation (protonated Schiff base 3, PSB3) and the all-trans-3-methyl-2,4-pentadiene-iminium cation (MePSB3) were investigated in the gas phase and in polar (aqueous) and nonpolar (n-hexane) solutions by means of surface hopping using a multireference configuration-interaction (MRCI) quantum mechanical/molecular mechanics (QM/MM) level. Spectra, lifetimes for radiationless deactivation to the ground state, and structural and electronic parameters are compared. A strong influence of the polar solvent on the location of the crossing seam, in particular in the bond length alternation (BLA) coordinate, is found. Additionally, inclusion of the polar solvent changes the orientation of the intersection cone from sloped in the gas phase to peaked, thus enhancing considerably its efficiency for deactivation of the molecular system to the ground state. These factors cause, especially for MePSB3, a substantial decrease in the lifetime of the excited state despite the steric inhibition by the solvent. PMID:23470211

Unusual Complex Formation and Chemical Reaction of Haloacetate Anion on the Exterior Surface of Cucurbit[6]uril in the Gas Phase

NASA Astrophysics Data System (ADS)

Choi, Tae Su; Ko, Jae Yoon; Heo, Sung Woo; Ko, Young Ho; Kim, Kimoon; Kim, Hugh I.

2012-10-01

Noncovalent interactions of cucurbit[6]uril (CB[6]) with haloacetate and halide anions are investigated in the gas phase using electrospray ionization ion mobility mass spectrometry. Strong noncovalent interactions of monoiodoacetate, monobromoacetate, monochloroacetate, dichloroacetate, and trichloroacetate on the exterior surface of CB[6] are observed in the negative mode electrospray ionization mass spectra. The strong binding energy of the complex allows intramolecular SN2 reaction of haloacetate, which yields externally bound CB[6]-halide complex, by collisional activation. Utilizing ion mobility technique, structures of exteriorly bound CB[6] complexes of haloacetate and halide anions are confirmed. Theoretically determined low energy structures using density functional theory (DFT) further support results from ion mobility studies. The DFT calculation reveals that the binding energy and conformation of haloacetate on the CB[6] surface affect the efficiency of the intramolecular SN2 reaction of haloacetate, which correlate well with the experimental observation.

Development of a new microextraction method based on elevated temperature dispersive liquid-liquid microextraction for determination of triazole pesticides residues in honey by gas chromatography-nitrogen phosphorus detection.

PubMed

Farajzadeh, Mir Ali; Mogaddam, Mohammad Reza Afshar; Ghorbanpour, Houshang

2014-06-20

In the present study, a rapid, highly efficient, and reliable sample preparation method named "elevated temperature dispersive liquid-liquid microextraction" followed by gas chromatography-nitrogen-phosphorus detection was developed for the extraction, preconcentration, and determination of five triazole pesticides (penconazole, hexaconazole, diniconazole, tebuconazole, and difenoconazole) in honey samples. In this method the temperature of high-volume aqueous phase was adjusted at an elevated temperature and then a disperser solvent containing an extraction solvent was rapidly injected into the aqueous phase. After cooling to room temperature, the phase separation was accelerated by centrifugation. Various parameters affecting the extraction efficiency such as type and volume of the extraction and disperser solvents, temperature, salt addition, and pH were evaluated. Under the optimum extraction conditions, the method resulted in low limits of detection and quantification within the range 0.05-0.21ngg(-1) in honey (15-70ngL(-1) in solution) and 0.15-1.1ngg(-1) in honey (45-210ngL(-1) in solution), respectively. Enrichment factors and extraction recoveries were in the ranges of 1943-1994 and 97-100%, respectively. The method precision was evaluated at 1.5ngg(-1) of each analyte, and the relative standard deviations were found to be less than 4% for intra-day (n=6) and less than 6% for inter-days. The method was successfully applied to the analysis of honey samples and difenoconazole was determined at ngg(-1) levels. Copyright © 2014 Elsevier B.V. All rights reserved.

Trace analysis of endocrine disrupting compounds in environmental water samples by use of solid-phase extraction and gas chromatography with mass spectrometry detection.

PubMed

Azzouz, Abdelmonaim; Ballesteros, Evaristo

2014-09-19

A novel analytical method using a continuous solid-phase extraction system in combination with gas chromatography-mass spectrometry for the simultaneous separation and determination of endocrine disrupting compounds (EDCs) is reported. The method was applied to major EDCs of various types including parabens, alkylphenols, phenylphenols, bisphenol A and triclosan in water. Samples were preconcentrated by using an automatic solid-phase extraction module containing a sorbent column, and retained analytes eluted with acetonitrile for derivatization with a mixture of N,O-bis(trimethylsilyl)trifluoroacetamide and trimethylchlorosilane. A number of variables potentially influencing recovery of the target compounds such as the type of SPE sorbent (Silica gel, Florisil, RP-C18, Amberlite XAD-2 and XAD-4, Oasis HLB and LiChrolut EN), eluent and properties of the water including pH and ionic strength, were examined. LiChrolut EN was found to be the most efficient sorbent for retaining the analytes, with ∼100% efficiency. The ensuing method was validated with good analytical results including low limits of detection (0.01-0.08ng/L for 100mL of sample) and good linearity (r(2)>0.997) throughout the studied concentration ranges. The method exhibited good accuracy (recoveries of 90-101%) and precision (relative standard deviations less than 7%) in the determination of EDCs in drinking, river, pond, well, swimming pool and waste water. Waste water samples were found to contain the largest number and highest concentrations of analytes (3.2-390ng/L). Copyright © 2014 Elsevier B.V. All rights reserved.

Phytoscreening as an efficient tool to delineate chlorinated solvent sources at a chlor-alkali facility.

PubMed

Yung, Loïc; Lagron, Jérôme; Cazaux, David; Limmer, Matt; Chalot, Michel

2017-05-01

Chlorinated ethenes (CE) are among the most common volatile organic compounds (VOC) that contaminate groundwater, currently representing a major source of pollution worldwide. Phytoscreening has been developed and employed through different applications at numerous sites, where it was generally useful for detection of subsurface chlorinated solvents. We aimed at delineating subsurface CE contamination at a chlor-alkali facility using tree core data that we compared with soil data. For this investigation a total of 170 trees from experimental zones was sampled and analyzed for perchloroethene (PCE) and trichloroethene (TCE) concentrations, measured by solid phase microextraction gas chromatography coupled to mass spectrometry. Within the panel of tree genera sampled, Quercus and Ulmus appeared to be efficient biomonitors of subjacent TCE and PCE contamination, in addition to the well known and widely used Populus and Salix genera. Among the 28 trees located above the dense non-aqueous phase liquid (DNAPL) phase zone, 19 tree cores contained detectable amounts of CE, with concentrations ranging from 3 to 3000 μg L -1 . Our tree core dataset was found to be well related to soil gas sampling results, although the tree coring data were more informative. Our data further emphasized the need for choosing the relevant tree species and sampling periods, as well as taking into consideration the nature of the soil and its heterogeneity. Overall, this low-invasive screening method appeared useful to delineate contaminants at a small-scale site impacted by multiple sources of chlorinated solvents. Copyright © 2017 Elsevier Ltd. All rights reserved.

Extraction of chemical warfare agents from water with hydrophilic-lipophilic balance and C18 cartridges: comparative study.

PubMed

Kanaujia, Pankaj K; Pardasani, Deepak; Gupta, A K; Dubey, D K

2007-01-19

Efficient extraction of chemical warfare agents (CWAs) from water is essential before subjecting them to gas chromatographic and spectral analysis aiming towards verification of the Chemical Weapons Convention (CWC). It requires development of fast, reliable, simple and reproducible sample preparation of CWAs from water which is likely to be contaminated during deliberate or inadvertent spread of CWAs. This work describes development of a solid-phase extraction method using hydrophilic-lipophilic balance (HLB) cartridges for extraction of CWAs from water. The extraction efficiencies of HLB and C18 cartridges were compared and the results revealed that HLB sorbents performed better. Extracts were analyzed by gas chromatography-mass spectrometry. Extraction parameters, such as extraction solvent, its volume and rinsing solvent were optimized. Best recoveries of target analytes were obtained using 1mL methanol and limits of detection were achieved up to 0.05microg/mL with dichloromethane. Precision of the method was found to be less than 9.2% RSD.

Regenerable sorbents for mercury capture in simulated coal combustion flue gas.

PubMed

Rodríguez-Pérez, Jorge; López-Antón, M Antonia; Díaz-Somoano, Mercedes; García, Roberto; Martínez-Tarazona, M Rosa

2013-09-15

This work demonstrates that regenerable sorbents containing nano-particles of gold dispersed on an activated carbon are efficient and long-life materials for capturing mercury species from coal combustion flue gases. These sorbents can be used in such a way that the high investment entailed in their preparation will be compensated for by the recovery of all valuable materials. The characteristics of the support and dispersion of gold in the carbon surface influence the efficiency and lifetime of the sorbents. The main factor that determines the retention of mercury and the regeneration of the sorbent is the presence of reactive gases that enhance mercury retention capacity. The capture of mercury is a consequence of two mechanisms: (i) the retention of elemental mercury by amalgamation with gold and (ii) the retention of oxidized mercury on the activated carbon support. These sorbents were specifically designed for retaining the mercury remaining in gas phase after the desulfurization units in coal power plants. Copyright © 2013 Elsevier B.V. All rights reserved.

Numerical Study on the Improvement of Oil Return Structure in Aero-Engine Bearing Chambers

NASA Astrophysics Data System (ADS)

Jingyu, Zhao; Yaguo, Lyv; Zhenxia, Liu; Guozhe, Ren

2018-03-01

Numerical study has been carried out to improve the unreasonable oil film accumulation and oil return effect of the bearing chamber. Ramp sump and eccentricity sump offtake structures are designed and improved, and oil-gas two-phase flow calculation model based on CLSVOF (coupled level set and volume of fluid) method is proposed. Based on the grid-independent analysis and verifying the rationality of numerical data, oil-gas movement mechanism and oil return characteristics for different scavenge offtakes are calculated and analyzed. Results show that both the ramp sump and eccentricity sump offtake structures have favorable effects on improving the local oil distribution such as recirculation and stripping, etc. at low rotation speeds and alleviating the rapid decline of scavenge efficiency at high rotation speeds. Meanwhile, the air shear force is the main reason for the rapid decline of scavenge efficiency, while the design of oil return sump makes for the oil discharge from the scavenge offtake, and the deeper the sump depth is, the better.

[Mechanism and performance of styrene oxidation by O3/H2O2].

PubMed

He, Jue-Cong; Huang, Qian-Ru; Ye, Qi-Hong; Luo, Yu-Wei; Zhang, Zai-Li; Fan, Qing-Juan; Wei, Zai-Shan

2013-10-01

It can produce a large number of free radicals in O3/H2O2, system, ozone and free radical coupling oxidation can improve the styrene removal efficiency. Styrene oxidation by O3/H2O2 was investigated. Ozone dosage, residence time, H2o2 volume fraction, spray density and molar ratio of O3/C8H8 on styrene removal were evaluated. The experimental results showed that styrene removal efficiency achieved 85.7%. The optimal residence time, H2O2, volume fraction, spray density and O3/C8H8 molar ratio were 20. 6 s, 10% , 1.72 m3.(m2.h)-1 and 0.46, respectively. The gas-phase degradation intermediate products were benzaldehyde(C6H5CHO) and benzoic acid (C6H5 COOH) , which were identified by means of gas chromatography-mass spectrometry(GC-MS). The degradation mechanism of styrene is presented.

Performance of biofuel processes utilising separate lignin and carbohydrate processing.

PubMed

Melin, Kristian; Kohl, Thomas; Koskinen, Jukka; Hurme, Markku

2015-09-01

Novel biofuel pathways with increased product yields are evaluated against conventional lignocellulosic biofuel production processes: methanol or methane production via gasification and ethanol production via steam-explosion pre-treatment. The novel processes studied are ethanol production combined with methanol production by gasification, hydrocarbon fuel production with additional hydrogen produced from lignin residue gasification, methanol or methane synthesis using synthesis gas from lignin residue gasification and additional hydrogen obtained by aqueous phase reforming in synthesis gas production. The material and energy balances of the processes were calculated by Aspen flow sheet models and add on excel calculations applicable at the conceptual design stage to evaluate the pre-feasibility of the alternatives. The processes were compared using the following criteria: energy efficiency from biomass to products, primary energy efficiency, GHG reduction potential and economy (expressed as net present value: NPV). Several novel biorefinery concepts gave higher energy yields, GHG reduction potential and NPV. Copyright © 2015 Elsevier Ltd. All rights reserved.

Optimization and thermoeconomics research of a large reclaimed water source heat pump system.

PubMed

Zhang, Zi-ping; Du, Fang-hui

2013-01-01

This work describes a large reclaimed water source heat pump system (RWSHPS) and elaborates on the composition of the system and its design principles. According to the characteristics of the reclaimed water and taking into account the initial investment, the project is divided into two stages: the first stage adopts distributed heat pump heating system and the second adopts the combination of centralized and decentralized systems. We analyze the heating capacity of the RWSHPS, when the phase II project is completed, the system can provide hydronic heating water with the supply and return water temperature of 55°C/15°C and meet the hydronic heating demand of 8 million square meters of residential buildings. We make a thermal economics analysis by using Thermal Economics theory on RWSHPS and gas boiler system, it is known that the RWSHPS has more advantages, compared with the gas boiler heating system; both its thermal efficiency and economic efficiency are relatively high. It provides a reference for future applications of the RWSHPS.

Gas-phase and solution-phase polymerization of epoxides by Cr(salen) complexes: evidence for a dinuclear cationic mechanism.

PubMed

Schön, Eva; Zhang, Xiangyang; Zhou, Zhiping; Chisholm, Malcolm H; Chen, Peter

2004-11-15

The gas-phase reactions of a series of mass-selected mononuclear and dinuclear Cr(salen) complexes with propylene oxide suggest that the enhanced reactivity of the dinuclear complexes in gas-phase and in solution may derive from a dicationic mechanism in which the alkoxide chain is mu(2)-coordinated to two Lewis acidic metal centers. The double coordination is proposed to suppress backbiting, and hence chain-transfer in the gas-phase homopolymerization of epoxides.

Experimental studies and statistical analysis of membrane fouling behavior and performance in microfiltration of microalgae by a gas sparging assisted process.

PubMed

Javadi, Najvan; Ashtiani, Farzin Zokaee; Fouladitajar, Amir; Zenooz, Alireza Moosavi

2014-06-01

Response surface methodology (RSM) and central composite design (CCD) were applied for modeling and optimization of cross-flow microfiltration of Chlorella sp. suspension. The effects of operating conditions, namely transmembrane pressure (TMP), feed flow rate (Qf) and optical density of feed suspension (ODf), on the permeate flux and their interactions were determined. Analysis of variance (ANOVA) was performed to test the significance of response surface model. The effect of gas sparging technique and different gas-liquid two phase flow regimes on the permeate flux was also investigated. Maximum flux enhancement was 61% and 15% for Chlorella sp. with optical densities of 1.0 and 3.0, respectively. These results indicated that gas sparging technique was more efficient in low concentration microalgae microfiltration in which up to 60% enhancement was achieved in slug flow pattern. Additionally, variations in the transmission of exopolysaccharides (EPS) and its effects on the fouling phenomenon were evaluated. Copyright © 2014 Elsevier Ltd. All rights reserved.

Preliminary characterization of carbon dioxide transfer in a hollow fiber membrane module as a possible solution for gas-liquid transfer in microgravity conditions

NASA Astrophysics Data System (ADS)

Farges, Bérangère; Duchez, David; Dussap, Claude-Gilles; Cornet, Jean-François

2012-01-01

In microgravity, one of the major challenge encountered in biological life support systems (BLSS) is the gas-liquid transfer with, for instance, the necessity to provide CO2 (carbon source, pH control) and to recover the evolved O2 in photobioreactors used as atmosphere bioregenerative systems.This paper describes first the development of a system enabling the accurate characterization of the mass transfer limiting step for a PTFE membrane module used as a possible efficient solution to the microgravity gas-liquid transfer. This original technical apparatus, together with a technical assessment of membrane permeability to different gases, is associated with a balance model, determining thus completely the CO2 mass transfer problem between phases. First results are given and discussed for the CO2 mass transfer coefficient kLCO obtained in case of absorption experiments at pH 8 using the hollow fiber membrane module. The consistency of the proposed method, based on a gas and liquid phase balances verifying carbon conservation enables a very accurate determination of the kLCO value as a main limiting step of the whole process. Nevertheless, further experiments are still needed to demonstrate that the proposed method could serve in the future as reference method for mass transfer coefficient determination if using membrane modules for BLSS in reduced or microgravity conditions.

Superconducting Meissner effect bearings for cryogenic turbomachines, phase 2

NASA Astrophysics Data System (ADS)

Valenzuela, Javier A.; Martin, Jerry L.

1994-02-01

This is the final report of a Phase 2 SBIR project to develop Meissner effect bearings for miniature cryogenic turbomachines. The bearing system was designed for use in miniature cryogenic turboexpanders in reverse-Brayton-cycle cryocoolers. The cryocoolers are designed to cool sensors on satellites. Existing gas bearings for this application run in a relatively warm state. The heat loss from the bearings into the shaft and into the cold process gas imposes a penalty on the cycle efficiency. By using cold Meissner effect bearings, this heat loss could be minimized, and the input power per unit of cooling for these cryocoolers could be reduced. Two bearing concepts were explored in this project. The first used an all-magnetic passive radial suspension to position the shaft over a range of temperatures from room temperature to 77 K. This bearing concept was proven to be feasible, but impractical for the miniature high-speed turbine application since it lacked the required shaft positioning accuracy. A second bearing concept was then developed. In this concept, the Meissner effect bearings are combined with self-acting gas bearings. The Meissner effect bearing provides the additional stiffness and damping required to stabilize the shaft at low temperature, while the gas bearing provides the necessary accuracy to allow very small turbine tip clearances (5mm) and high speeds (greater than 500,000 rpm).

Spontaneous Growth and Mobilization of a Gas Phase in the Presence of Dense Non- Aqueous Phase Liquid (DNAPL)

NASA Astrophysics Data System (ADS)

Roy, J. W.; Smith, J. E.

2006-12-01

A number of mechanisms can lead to the presence of disconnected bubbles or ganglia of gas phase in groundwater. When associated with or near a DNAPL phase, the disconnected gas phase experiences mass transfer of dissolved gases including the volatile components of the DNAPL. The properties of the gas phase interface, such as interfacial tension and contact angle, can also be affected. This work addresses the behavior of spontaneous continual growth of initially trapped seed gas bubbles within DNAPL source zones. Three different experiments were performed in a 2-dimensional transparent flow cell 15 cm by 20 cm by 1.5 cm. In each case, a DNAPL pool was created within larger glass beads over smaller glass beads that served as a capillary barrier. The DNAPL consisted of either a 1:2 (v/v) tetrachloroethene (PCE) to benzene mixture, single component PCE, or single component TCE. The experiments effectively demonstrate spontaneous gas phase expansion and vertical advective mobilization of gas bubbles and ganglia above the DNAPL source zone. A cycle of gas phase growth and mobilization was facilitated by the presence of secondary seed bubbles left behind due to snap-off during vertical bubble (ganglion) mobilization. This gas phase growth process was relatively slow but continuous and could be expected to continue until the NAPL is completely dissolved. Some implications of the demonstrated behavior for water flow and mass transfer within and near the DNAPL source zone are highlighted.

Sensitive ion detection device and method for analysis of compounds as vapors in gases

DOEpatents

Denton, M. Bonner; Sperline, Roger P.

2015-09-15

An ion mobility spectrometer (IMS) for the detection of trace gaseous molecular compounds dissolved or suspended in a carrier gas, particularly in ambient air, without preconcentration or the trapping of analyte particles. The IMS of the invention comprises an ionization volume of greater than 5 cm.sup.3 and preferably greater than 100 cm.sup.3. The larger size ionizers of this invention enable analysis of trace (<1 ppb) of sample compounds in the gas phase. To facilitate efficient ion motion through the large volume ionization and reaction regions of the IMS, an electric field gradient can be provided in the ionization region or in both the ionization and reaction regions. The systems can be implemented with radioactive ionization sources, corona discharge ion sources or ions can be formed by photoionization. In specific embodiments, particularly when the sample gas is ambient air, the sample gas is heater prior to entry into the instrument, the instrument is run at temperatures above ambient, and the instrument can be heated by contact with heated sample gas exiting the instrument.

Sensitive ion detection device and method for analysis of compounds as vapors in gases

DOEpatents

Denton, M. Bonner; Sperline, Roger P

2014-02-18

An ion mobility spectrometer (IMS) for the detection of trace gaseous molecular compounds dissolved or suspended in a carrier gas, particularly in ambient air, without preconcentration or the trapping of analyte particles. The IMS of the invention comprises an ionization volume of greater than 5 cm.sup.3 and preferably greater than 100 cm.sup.3. The larger size ionizers of this invention enable analysis of trace (<1 ppb) of sample compounds in the gas phase. To facilitate efficient ion motion through the large volume ionization and reaction regions of the IMS, an electric field gradient can be provided in the ionization region or in both the ionization and reaction regions. The systems can be implemented with radioactive ionization sources, corona discharge ion sources or ions can be formed by photoionization. In specific embodiments, particularly when the sample gas is ambient air, the sample gas is heater prior to entry into the instrument, the instrument is run at temperatures above ambient, and the instrument can be heated by contact with heated sample gas exiting the instrument.

Behavior of short silica monolithic columns in high pressure gas chromatography.

PubMed

Maniquet, Adrien; Bruyer, Nicolas; Raffin, Guy; Baco-Antoniali, Franck; Demesmay, Claire; Dugas, Vincent; Randon, Jérôme

2016-08-19

In order to analyze light hydrocarbons mixtures with silica monolithic columns, a conventional gas chromatograph was modified to work with carrier gas pressure as high as 60bar. To understand hydrodynamic flow and retention with short columns (less than 30cm), special attention was required due to the temperature difference between the oven area and the FID detector which contain a significant length of the column. Efficiency and selectivity using various carrier gases (helium, nitrogen and carbon dioxide) at different inlet pressure for different oven temperature were studied. Carrier gas nature was a very significant parameter: on one side, linked to adsorption mechanism for gases like nitrogen and carbon dioxide onto the stationary phase modifying retention and selectivity, on the other side in relation to the minimum theoretical plate height which was as low as 15μm (66 000 platem(-1)) using carbon dioxide as carrier gas. The chromatographic system was then used to separate methane, ethane, ethylene, acetylene, propane, cyclopropane, and butane in less than 30s. Copyright © 2016 Elsevier B.V. All rights reserved.

Effect of ammonium sulfate and urea on PCDD/F formation from active carbon and possible mechanism of inhibition.

PubMed

Yan, Mi; Qi, Zhifu; Yang, Jie; Li, Xiaodong; Ren, Jianli; Xu, Zhang

2014-11-01

The effect of ammonium sulfate ((NH4)2SO4) and urea (CO(NH2)2) on polychlorinated dibenzo-p-dioxin and dibenzofuran (PCDD/F) formation from active carbon was investigated in this study. Both additives could significantly inhibit PCDD/F formation, and PCDD/F (TEQ) generation was reduced to 98.5% (98%) or 64.5% (77.2%) after 5% (NH4)2SO4 or CO(NH2)2 was added into model ash, respectively. The inhibition efficiency of PCDDs was higher than the value of PCDFs, however, the reduction of PCDD/F yield was mainly from PCDFs decreasing. In addition, the solid-phase products were reduced more than the gas-phase compounds by inhibitors. By the measurement of chlorine emission in the phase of ion (Cl[Cl(-)]) and molecule gas (Cl[Cl2]), it was observed that both Cl[Cl(-)] and Cl[Cl2] were reduced after inhibitors were added into ash. Cl[Cl2] was reduced to 51.0% by urea addition, which was supposed as one possible mechanism of PCDD/F inhibition. Copyright © 2014. Published by Elsevier B.V.

Multivariate study of parameters in the determination of pesticide residues in apple by headspace solid phase microextraction coupled to gas chromatography-mass spectrometry using experimental factorial design.

PubMed

Abdulra'uf, Lukman Bola; Tan, Guan Huat

2013-12-15

Solid-phase microextraction (SPME) is a solvent-less sample preparation method which combines sample preparation, isolation, concentration and enrichment into one step. In this study, multivariate strategy was used to determine the significance of the factors affecting the solid phase microextraction of pesticide residues (fenobucarb, diazinon, chlorothalonil and chlorpyrifos) using a randomised factorial design. The interactions and effects of temperature, time and salt addition on the efficiency of the extraction of the pesticide residues were evaluated using 2(3) factorial designs. The analytes were extracted with 100 μm PDMS fibres according to the factorial design matrix and desorbed into a gas chromatography-mass spectrometry detector. The developed method was applied for the analysis of apple samples and the limits of detection were between 0.01 and 0.2 μg kg(-)(1), which were lower than the MRLs for apples. The relative standard deviations (RSD) were between 0.1% and 13.37% with average recovery of 80-105%. The linearity ranges from 0.5-50 μg kg(-)(1) with correlation coefficient greater than 0.99. Copyright © 2013 Elsevier Ltd. All rights reserved.

Magnetic solid phase extraction with CoFe2O4/oleic acid nanoparticles coupled to gas chromatography-mass spectrometry for the determination of alkylphenols in baby foods.

PubMed

Pastor-Belda, Marta; Viñas, Pilar; Campillo, Natalia; Hernández-Córdoba, Manuel

2017-04-15

Magnetic solid phase extraction (MSPE) with cobalt ferrite nanoparticles coated with oleic acid is described for the determination of alkylphenols (APs), 4-tert-butylphenol (TBP), 4-pentylphenol (PP), 4-hexylphenol (HP), 4-tert-octylphenol (TOP), 4-n-octylphenol (OP) and 4-nonylphenol (NP) in baby foods using gas chromatography with mass spectrometry (GC-MS). Prior to MSPE, the sample was treated with trichloroacetic acid, and the APs derivatized with acetic anhydride. Parameters affecting the extraction efficiency: amount of magnetic nanoparticles, extraction time and desorption conditions, were optimized. The enriched phase obtained was evaporated to dryness and the residue reconstituted in 50μL of methanol, 1μL of which was injected into the GC-MS. Samples were quantified applying matrix-matched calibration and using 2-chloro-5-bromoanisole as surrogate standard. The analysis of 0.5g of sample provided detection limits in the 0.4-1.7ngg -1 range. Some samples contained APs at levels of between 3ngg -1 for HP and 122ngg -1 for TOP. Copyright © 2016 Elsevier Ltd. All rights reserved.

On the Ionization and Ion Transmission Efficiencies of Different ESI-MS Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cox, Jonathan T.; Marginean, Ioan; Smith, Richard D.

2014-09-30

It is well known that the achievable sensitivity of electrospray ionization mass spectrometry (ESI-MS) is largely determined by the ionization efficiency in the ESI source and ion transmission efficiency through the ESI-MS interface. In this report we systematically study the ion transmission and ionization efficiencies in different ESI-MS interface configurations. The configurations under investigation include a single emitter/single inlet capillary, single emitter/multi-inlet capillary, and a subambient pressure ionization with nanoelectrospray (SPIN) MS interfaces with a single emitter and an emitter array, respectively. We present an effective method to evaluate the overall ion utilization efficiency of an ESI-MS interface by measuringmore » the total gas phase ion current transmitted through the interface and correlating it to the observed ion abundance measured in the corresponding mass spectrum. Our experimental results suggest that the overall ion utilization efficiency in the SPIN-MS interface configurations is better than that in the inlet capillary based ESI-MS interface configurations.« less

Using design of experiments to optimize derivatization with methyl chloroformate for quantitative analysis of the aqueous phase from hydrothermal liquefaction of biomass.

PubMed

Madsen, René Bjerregaard; Jensen, Mads Mørk; Mørup, Anders Juul; Houlberg, Kasper; Christensen, Per Sigaard; Klemmer, Maika; Becker, Jacob; Iversen, Bo Brummerstedt; Glasius, Marianne

2016-03-01

Hydrothermal liquefaction is a promising technique for the production of bio-oil. The process produces an oil phase, a gas phase, a solid residue, and an aqueous phase. Gas chromatography coupled with mass spectrometry is used to analyze the complex aqueous phase. Especially small organic acids and nitrogen-containing compounds are of interest. The efficient derivatization reagent methyl chloroformate was used to make analysis of the complex aqueous phase from hydrothermal liquefaction of dried distillers grains with solubles possible. A circumscribed central composite design was used to optimize the responses of both derivatized and nonderivatized analytes, which included small organic acids, pyrazines, phenol, and cyclic ketones. Response surface methodology was used to visualize significant factors and identify optimized derivatization conditions (volumes of methyl chloroformate, NaOH solution, methanol, and pyridine). Twenty-nine analytes of small organic acids, pyrazines, phenol, and cyclic ketones were quantified. An additional three analytes were pseudoquantified with use of standards with similar mass spectra. Calibration curves with high correlation coefficients were obtained, in most cases R (2)  > 0.991. Method validation was evaluated with repeatability, and spike recoveries of all 29 analytes were obtained. The 32 analytes were quantified in samples from the commissioning of a continuous flow reactor and in samples from recirculation experiments involving the aqueous phase. The results indicated when the steady-state condition of the flow reactor was obtained and the effects of recirculation. The validated method will be especially useful for investigations of the effect of small organic acids on the hydrothermal liquefaction process.

GNAQPMS v1.1: accelerating the Global Nested Air Quality Prediction Modeling System (GNAQPMS) on Intel Xeon Phi processors

NASA Astrophysics Data System (ADS)

Wang, Hui; Chen, Huansheng; Wu, Qizhong; Lin, Junmin; Chen, Xueshun; Xie, Xinwei; Wang, Rongrong; Tang, Xiao; Wang, Zifa

2017-08-01

The Global Nested Air Quality Prediction Modeling System (GNAQPMS) is the global version of the Nested Air Quality Prediction Modeling System (NAQPMS), which is a multi-scale chemical transport model used for air quality forecast and atmospheric environmental research. In this study, we present the porting and optimisation of GNAQPMS on a second-generation Intel Xeon Phi processor, codenamed Knights Landing (KNL). Compared with the first-generation Xeon Phi coprocessor (codenamed Knights Corner, KNC), KNL has many new hardware features such as a bootable processor, high-performance in-package memory and ISA compatibility with Intel Xeon processors. In particular, we describe the five optimisations we applied to the key modules of GNAQPMS, including the CBM-Z gas-phase chemistry, advection, convection and wet deposition modules. These optimisations work well on both the KNL 7250 processor and the Intel Xeon E5-2697 V4 processor. They include (1) updating the pure Message Passing Interface (MPI) parallel mode to the hybrid parallel mode with MPI and OpenMP in the emission, advection, convection and gas-phase chemistry modules; (2) fully employing the 512 bit wide vector processing units (VPUs) on the KNL platform; (3) reducing unnecessary memory access to improve cache efficiency; (4) reducing the thread local storage (TLS) in the CBM-Z gas-phase chemistry module to improve its OpenMP performance; and (5) changing the global communication from writing/reading interface files to MPI functions to improve the performance and the parallel scalability. These optimisations greatly improved the GNAQPMS performance. The same optimisations also work well for the Intel Xeon Broadwell processor, specifically E5-2697 v4. Compared with the baseline version of GNAQPMS, the optimised version was 3.51 × faster on KNL and 2.77 × faster on the CPU. Moreover, the optimised version ran at 26 % lower average power on KNL than on the CPU. With the combined performance and energy improvement, the KNL platform was 37.5 % more efficient on power consumption compared with the CPU platform. The optimisations also enabled much further parallel scalability on both the CPU cluster and the KNL cluster scaled to 40 CPU nodes and 30 KNL nodes, with a parallel efficiency of 70.4 and 42.2 %, respectively.

Floating liquid phase in sedimenting colloid-polymer mixtures.

PubMed

Schmidt, Matthias; Dijkstra, Marjolein; Hansen, Jean-Pierre

2004-08-20

Density functional theory and computer simulation are used to investigate sedimentation equilibria of colloid-polymer mixtures within the Asakura-Oosawa-Vrij model of hard sphere colloids and ideal polymers. When the ratio of buoyant masses of the two species is comparable to the ratio of differences in density of the coexisting bulk (colloid) gas and liquid phases, a stable "floating liquid" phase is found, i.e., a thin layer of liquid sandwiched between upper and lower gas phases. The full phase diagram of the mixture under gravity shows coexistence of this floating liquid phase with a single gas phase or a phase involving liquid-gas equilibrium; the phase coexistence lines meet at a triple point. This scenario remains valid for general asymmetric binary mixtures undergoing bulk phase separation.

Determining the efficiency of subjecting finely dispersed emulsions to physical coagulation in a packed layer under turbulent conditions

NASA Astrophysics Data System (ADS)

Laptev, A. G.; Basharov, M. M.; Farakhova, A. I.

2013-09-01

The process through which small droplets contained in emulsions are physically coagulated on the surface of random packing elements is considered. The theory of turbulent migration of a finely dispersed phase is used for determining the coagulation efficiency. Expressions for calculating coagulation efficiency and turbulent transfer rate are obtained by applying models of a turbulent boundary layer. An example of calculating the enlargement of water droplets in hydrocarbon medium represented by a wide fraction of light hydrocarbons (also known as natural gas liquid) is given. The process flowchart of a system for removing petroleum products from effluent waters discharged from the Kazan TETs-1 cogeneration station is considered. Replacement of the mechanical filter by a thin-layer settler with a coagulator is proposed.

Spray and High-Pressure Flow Computations in the National Combustion Code (NCC) Improved

NASA Technical Reports Server (NTRS)

Raju, Manthena S.

2002-01-01

Sprays occur in a wide variety of industrial and power applications and in materials processing. A liquid spray is a two-phase flow with a gas as the continuous phase and a liquid as the dispersed phase in the form of droplets or ligaments. The interactions between the two phases--which are coupled through exchanges of mass, momentum, and energy--can occur in different ways at disparate time and length scales involving various thermal, mass, and fluid dynamic factors. An understanding of the flow, combustion, and thermal properties of a rapidly vaporizing spray requires careful modeling of the ratecontrolling processes associated with turbulent transport, mixing, chemical kinetics, evaporation, and spreading rates of the spray, among many other factors. With the aim of developing an efficient solution procedure for use in multidimensional combustor modeling, researchers at the NASA Glenn Research Center have advanced the state-of-the-art in spray computations in several important ways.

Chemistry of OH in remote clouds and its role in the production of formic acid and peroxymonosulfate

NASA Technical Reports Server (NTRS)

Jacob, D. J.

1986-01-01

The chemistry of OH in nonprecipitating tropospheric clouds was studied using a coupled gas phase/aqueous phase chemical model. The simulation takes into account the radial dependence of the concentrations of short lived aqueous phase species, in particular, O3(aq) OH(aq). Formic acid is shown to be rapidly produced by the aqueous phase reaction between H2C(OH)2 and OH, but HCOO(-) and OH, but HCOO(-) is in turn rapidly oxidized by OH(aq). The HCOOH concentration in cloud is shown to be strongly dependent on the pH of the cloud water; clouds with pH greater than 5 are not efficient HCOOH sources. A novel mechanism is proposed for the oxidation of S(IV) by OH(aq), with the main product predicted to be peroxymonosulfate, HSO5(-). The latter could contribute significantly to total cloud water sulfur.

The characterisation of diesel exhaust particles - composition, size distribution and partitioning.

PubMed

Alam, Mohammed S; Zeraati-Rezaei, Soheil; Stark, Christopher P; Liang, Zhirong; Xu, Hongming; Harrison, Roy M

2016-07-18

A number of major research questions remain concerning the sources and properties of road traffic generated particulate matter. A full understanding of the composition of primary vehicle exhaust aerosol and its contribution to secondary organic aerosol (SOA) formation still remains elusive, and many uncertainties exist relating to the semi-volatile component of the particles. Semi-Volatile Organic Compounds (SVOCs) are compounds which partition directly between the gas and aerosol phases under ambient conditions. The SVOCs in engine exhaust are typically hydrocarbons in the C15-C35 range, and are largely uncharacterised because they are unresolved by traditional gas chromatography, forming a large hump in the chromatogram referred to as Unresolved Complex Mixture (UCM). In this study, thermal desorption coupled to comprehensive Two Dimensional Gas-Chromatography Time-of-Flight Mass-Spectrometry (TD-GC × GC-ToF-MS) was exploited to characterise and quantify the composition of SVOCs from the exhaust emission. Samples were collected from the exhaust of a diesel engine, sampling before and after a diesel oxidation catalyst (DOC), while testing at steady state conditions. Engine exhaust was diluted with air and collected using both filter and impaction (nano-MOUDI), to resolve total mass and size resolved mass respectively. Adsorption tubes were utilised to collect SVOCs in the gas phase and they were then analysed using thermal desorption, while particle size distribution was evaluated by sampling with a DMS500. The SVOCs were observed to contain predominantly n-alkanes, branched alkanes, alkyl-cycloalkanes, alkyl-benzenes, PAHs and various cyclic aromatics. Particle phase compounds identified were similar to those observed in engine lubricants, while vapour phase constituents were similar to those measured in fuels. Preliminary results are presented illustrating differences in the particle size distribution and SVOCs composition when collecting samples with and without a DOC. The results indicate that the DOC tested is of very limited efficiency, under the studied engine operating conditions, for removal of SVOCs, especially at the upper end of the molecular weight range.

Iodine Hall Thruster

NASA Technical Reports Server (NTRS)

Szabo, James

2015-01-01

Iodine enables dramatic mass and cost savings for lunar and Mars cargo missions, including Earth escape and near-Earth space maneuvers. The demonstrated throttling ability of iodine is important for a singular thruster that might be called upon to propel a spacecraft from Earth to Mars or Venus. The ability to throttle efficiently is even more important for missions beyond Mars. In the Phase I project, Busek Company, Inc., tested an existing Hall thruster, the BHT-8000, on iodine propellant. The thruster was fed by a high-flow iodine feed system and supported by an existing Busek hollow cathode flowing xenon gas. The Phase I propellant feed system was evolved from a previously demonstrated laboratory feed system. Throttling of the thruster between 2 and 11 kW at 200 to 600 V was demonstrated. Testing showed that the efficiency of iodine fueled BHT-8000 is the same as with xenon, with iodine delivering a slightly higher thrust-to-power (T/P) ratio. In Phase II, a complete iodine-fueled system was developed, including the thruster, hollow cathode, and iodine propellant feed system. The nominal power of the Phase II system is 8 kW; however, it can be deeply throttled as well as clustered to much higher power levels. The technology also can be scaled to greater than 100 kW per thruster to support megawatt-class missions. The target thruster efficiency for the full-scale system is 65 percent at high specific impulse (Isp) (approximately 3,000 s) and 60 percent at high thrust (Isp approximately 2,000 s).

Microminiature gas chromatograph

DOEpatents

Yu, Conrad M.

1996-01-01

A microminiature gas chromatograph (.mu.GC) comprising a least one silicon wafer, a gas injector, a column, and a detector. The gas injector has a normally closed valve for introducing a mobile phase including a sample gas in a carrier gas. The valve is fully disposed in the silicon wafer(s). The column is a microcapillary in silicon crystal with a stationary phase and is mechanically connected to receive the mobile phase from the gas injector for the molecular separation of compounds in the sample gas. The detector is mechanically connected to the column for the analysis of the separated compounds of sample gas with electronic means, e.g., ion cell, field emitter and PIN diode.

Generation of Bright, Spatially Coherent Soft X-Ray High Harmonics in a Hollow Waveguide Using Two-Color Synthesized Laser Pulses.

PubMed

Jin, Cheng; Stein, Gregory J; Hong, Kyung-Han; Lin, C D

2015-07-24

We investigate the efficient generation of low-divergence high-order harmonics driven by waveform-optimized laser pulses in a gas-filled hollow waveguide. The drive waveform is obtained by synthesizing two-color laser pulses, optimized such that highest harmonic yields are emitted from each atom. Optimization of the gas pressure and waveguide configuration has enabled us to produce bright and spatially coherent harmonics extending from the extreme ultraviolet to soft x rays. Our study on the interplay among waveguide mode, atomic dispersion, and plasma effect uncovers how dynamic phase matching is accomplished and how an optimized waveform is maintained when optimal waveguide parameters (radius and length) and gas pressure are identified. Our analysis should help laboratory development in the generation of high-flux bright coherent soft x rays as tabletop light sources for applications.

Summary of the research and development effort on the supercritical CO2 cycle

NASA Astrophysics Data System (ADS)

Fraas, A. P.

1981-06-01

The supercritical CO2 cycle has the advantage over a conventional closed cycle gas turbine in that the compression work phase of the cycle can be carried out close to the critical point and hence aerodynamic losses in the compressor are reduced and the cycle efficiency increased for a given turbine inlet temperature. However, the practicable turbine inlet temperature is reduced by permissible stresses in the heater tubes because the peak pressure in the cycle must be approx. 260 atm in order to have the compression process take place close to the critical point of the working fluid. The high system pressure also makes the capital cost of the heat exchangers and gas piping higher than that for a conventional closed cycle gas turbine. Further, the waste heat from the cycle must be rejected at too low a temperature for it to be useful for industrial process heat or for district heating systems.

Analysis of Flame Retardancy in Polymer Blends by Synchrotron X-ray K-edge Tomography and Interferometric Phase Contrast Movies.

PubMed

Olatinwo, Mutairu B; Ham, Kyungmin; McCarney, Jonathan; Marathe, Shashidhara; Ge, Jinghua; Knapp, Gerry; Butler, Leslie G

2016-03-10

Underwriters Laboratories 94 test bars have been imaged with X-ray K-edge tomography between 12 and 32 keV to assess the bromine and antimony concentration gradient across char layers of partially burnt samples. Phase contrast tomography on partially burnt samples showed gas bubbles and dark-field scattering ascribed to residual blend inhomogeneity. In addition, single-shot grating interferometry was used to record X-ray movies of test samples during heating (IR and flame) intended to mimic the UL 94 plastics flammability test. The UL 94 test bars were formulated with varying concentrations of a brominated flame retardant, Saytex 8010, and a synergist, Sb2O3, blended into high-impact polystyrene (HIPS). Depending on the sample composition, samples will pass or fail the UL 94 plastics flammability test. Tomography and interferometry imaging show differences that correlate with UL 94 performance. Key features such as char layer, gas bubble formation, microcracks, and dissolution of the flame retardant in the char layer regions are used in understanding the efficiency of the flame retardant and synergist. The samples that pass the UL 94 test have a thick, highly visible char layer as well as an interior rich in gas bubbles. Growth of gas bubbles from flame-retardant thermal decomposition is noted in the X-ray phase contrast movies. Also noteworthy is an absence of bubbles near the burning surface of the polymer; dark-field images after burning suggest a microcrack structure between interior bubbles and the surface. The accepted mechanism for flame retardant activity includes free radical quenching in the flame by bromine and antimony species. The imaging supports this as well as provides a fast inspection of other parameters, such as viscosity and surface tension.

Development of Nano-Sulfide Sorbent for Efficient Removal of Elemental Mercury from Coal Combustion Fuel Gas.

PubMed

Li, Hailong; Zhu, Lei; Wang, Jun; Li, Liqing; Shih, Kaimin

2016-09-06

The surface area of zinc sulfide (ZnS) was successfully enlarged using nanostructure particles synthesized by a liquid-phase precipitation method. The ZnS with the highest surface area (named Nano-ZnS) of 196.1 m(2)·g(-1) was then used to remove gas-phase elemental mercury (Hg(0)) from simulated coal combustion fuel gas at relatively high temperatures (140 to 260 °C). The Nano-ZnS exhibited far greater Hg(0) adsorption capacity than the conventional bulk ZnS sorbent due to the abundance of surface sulfur sites, which have a high binding affinity for Hg(0). Hg(0) was first physically adsorbed on the sorbent surface and then reacted with the adjacent surface sulfur to form the most stable mercury compound, HgS, which was confirmed by X-ray photoelectron spectroscopy analysis and a temperature-programmed desorption test. At the optimal temperature of 180 °C, the equilibrium Hg(0) adsorption capacity of the Nano-ZnS (inlet Hg(0) concentration of 65.0 μg·m(-3)) was greater than 497.84 μg·g(-1). Compared with several commercial activated carbons used exclusively for gas-phase mercury removal, the Nano-ZnS was superior in both Hg(0) adsorption capacity and adsorption rate. With this excellent Hg(0) removal performance, noncarbon Nano-ZnS may prove to be an advantageous alternative to activated carbon for Hg(0) removal in power plants equipped with particulate matter control devices, while also offering a means of reusing fly ash as a valuable resource, for example as a concrete additive.

Magnetic micro-solid-phase extraction based on magnetite-MCM-41 with gas chromatography-mass spectrometry for the determination of antidepressant drugs in biological fluids.

PubMed

Kamaruzaman, Sazlinda; Sanagi, Mohd Marsin; Yahaya, Noorfatimah; Wan Ibrahim, Wan Aini; Endud, Salasiah; Wan Ibrahim, Wan Nazihah

2017-11-01

A new facile magnetic micro-solid-phase extraction coupled to gas chromatography and mass spectrometry detection was developed for the extraction and determination of selected antidepressant drugs in biological fluids using magnetite-MCM-41 as adsorbent. The synthesized sorbent was characterized by several spectroscopic techniques. The maximum extraction efficiency for extraction of 500 μg/L antidepressant drugs from aqueous solution was obtained with 15 mg of magnetite-MCM-41 at pH 12. The analyte was desorbed using 100 μL of acetonitrile prior to gas chromatography determination. This method was rapid in which the adsorption procedure was completed in 60 s. Under the optimized conditions using 15 mL of antidepressant drugs sample, the calibration curve showed good linearity in the range of 0.05-500 μg/L (r 2  = 0.996-0.999). Good limits of detection (0.008-0.010 μg/L) were obtained for the analytes with good relative standard deviations of <8.0% (n = 5) for the determination of 0.1, 5.0, and 500.0 μg/L of antidepressant drugs. This method was successfully applied to the determination of amitriptyline and chlorpromazine in plasma and urine samples. The recoveries of spiked plasma and urine samples were in the range of 86.1-115.4%. Results indicate that magnetite micro-solid-phase extraction with gas chromatography and mass spectrometry is a convenient, fast, and economical method for the extraction and determination of amitriptyline and chlorpromazine in biological samples. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Surface CHEMKIN (Version 4. 0): A Fortran package for analyzing heterogeneous chemical kinetics at a solid-surface---gas-phase interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coltrin, M.E.; Kee, R.J.; Rupley, F.M.

1991-07-01

Heterogeneous reaction at the interface between a solid surface and adjacent gas is central to many chemical processes. Our purpose for developing the software package SURFACE CHEMKIN was motivated by our need to understand the complex surface chemistry in chemical vapor deposition systems involving silicon, silicon nitride, and gallium arsenide. However, we have developed the approach and implemented the software in a general setting. Thus, we expect it will find use in such diverse applications as chemical vapor deposition, chemical etching, combustion of solids, and catalytic processes, and for a wide range of chemical systems. We believe that it providesmore » a powerful capability to help model, understand, and optimize important industrial and research chemical processes. The SURFACE CHEMKIN software is designed to work in conjunction with the CHEMKIN-2 software, which handles the chemical kinetics in the gas phase. It may also be used in conjunction with the Transport Property Package, which provides information about molecular diffusion. Thus, these three packages provide a foundation on which a user can build applications software to analyze gas-phase and heterogeneous chemistry in flowing systems. These packages should not be considered programs'' in the ordinary sense. That is, they are not designed to accept input, solve a particular problem, and report the answer. Instead, they are software tools intended to help a user work efficiently with large systems of chemical reactions and develop Fortran representations of systems of equations that define a particular problem. It is up the user to solve the problem and interpret the answer. 11 refs., 15 figs., 5 tabs.« less

Annual Report on Electronics Research at The University of Texas at Austin.

DTIC Science & Technology

1980-05-15

of Dimolybdenum-Tetracetate and Investigation of the Temperature Dependence of the Molecular Structure of Sulfur-Hexafluoride by Gas Phase Electron...1979, "A Relative Efficiency Study of Some Popular Detectors" Ernesto Pacas -Skewes, EE, Ph.D., May 1979, "A Design Method- ology for Digital Systems...Support," to appear in SIAM Journal of Applied Mathematics, June 1980. J.P. Stark, "Concentration of Vacancies in a Temperature Gra- dient," Phys

Multiscale Simulation of Gas Film Lubrication During Liquid Droplet Collision

NASA Astrophysics Data System (ADS)

Chen, Xiaodong; Khare, Prashant; Ma, Dongjun; Yang, Vigor

2012-02-01

Droplet collision plays an elementary role in dense spray combustion process. When two droplets approach each other, a gas film forms in between. The pressure generated within the film prevents motion of approaching droplets. This fluid mechanics is fluid film lubrication that occurs when opposing bearing surfaces are completely separated by fluid film. The lubrication flow in gas film decides the collision outcome, coalescence or bouncing. Present study focuses on gas film drainage process over a wide range of Weber numbers during equal- and unequal-sized droplet collision. The formulation is based on complete set of conservation equations for both liquid and surrounding gas phases. An improved volume-of-fluid technique, augmented by an adaptive mesh refinement algorithm, is used to track liquid/gas interfaces. A unique thickness-based refinement algorithm based on topology of interfacial flow is developed and implemented to efficiently resolve the multiscale problem. The grid size on interface is up O(10-4) of droplet size with a max resolution of 0.015 μm. An advanced visualization technique using the Ray-tracing methodology is used to gain direct insights to detailed physics. Theories are established by analyzing the characteristics of shape changing and flow evolution.

Solid-phase microextraction-gas chromatography-mass spectrometry for the analysis of selective serotonin reuptake inhibitors in environmental water.

PubMed

Lamas, J Pablo; Salgado-Petinal, Carmen; García-Jares, Carmen; Llompart, María; Cela, Rafael; Gómez, Mariano

2004-08-13

The continuous contamination of surface waters by pharmaceuticals is of most environmental concern. Selective serotonin reuptake inhibitors (SSRIs) are drugs currently prescribed for the treatment of depressions and other psychiatric disorders and then, they are among the pharmaceuticals that can occur in environmental waters. Solid-phase microextraction (SPME) coupled to gas chromatography-mass spectrometry has been applied to the extraction of five SSRIs--venlafaxine, fluvoxamine, fluoxetine, citalopram and sertraline--from water samples. Some of the analytes were not efficiently extracted as underivatized compounds and so, an in situ acetylation step was introduced in the sample preparation procedure. Different parameters affecting extraction efficiency such as extraction mode, fiber coating and temperature were studied. A mixed-level fractional factorial design was also performed to simultaneously study the influence of other five experimental factors. Finally, a method based on direct SPME at 100 degrees C using polydimethylsiloxane-divinylbenzene fibers is proposed. The performance of the method was evaluated, showing good linearity and precision. The detection limits were in the sub-ng/mL level. Practical applicability was demonstrated through the analysis of real samples. Recoveries obtained for river water and wastewater samples were satisfactory in all cases. An important aspect of the proposed method is that no matrix effects were observed. Two of the target compounds, venlafaxine and citalopram, were detected and quantified in a sewage water sample.

FastChem: A computer program for efficient complex chemical equilibrium calculations in the neutral/ionized gas phase with applications to stellar and planetary atmospheres

NASA Astrophysics Data System (ADS)

Stock, Joachim W.; Kitzmann, Daniel; Patzer, A. Beate C.; Sedlmayr, Erwin

2018-06-01

For the calculation of complex neutral/ionized gas phase chemical equilibria, we present a semi-analytical versatile and efficient computer program, called FastChem. The applied method is based on the solution of a system of coupled nonlinear (and linear) algebraic equations, namely the law of mass action and the element conservation equations including charge balance, in many variables. Specifically, the system of equations is decomposed into a set of coupled nonlinear equations in one variable each, which are solved analytically whenever feasible to reduce computation time. Notably, the electron density is determined by using the method of Nelder and Mead at low temperatures. The program is written in object-oriented C++ which makes it easy to couple the code with other programs, although a stand-alone version is provided. FastChem can be used in parallel or sequentially and is available under the GNU General Public License version 3 at https://github.com/exoclime/FastChem together with several sample applications. The code has been successfully validated against previous studies and its convergence behavior has been tested even for extreme physical parameter ranges down to 100 K and up to 1000 bar. FastChem converges stable and robust in even most demanding chemical situations, which posed sometimes extreme challenges for previous algorithms.

The methodology of the gas turbine efficiency calculation

NASA Astrophysics Data System (ADS)

Kotowicz, Janusz; Job, Marcin; Brzęczek, Mateusz; Nawrat, Krzysztof; Mędrych, Janusz

2016-12-01

In the paper a calculation methodology of isentropic efficiency of a compressor and turbine in a gas turbine installation on the basis of polytropic efficiency characteristics is presented. A gas turbine model is developed into software for power plant simulation. There are shown the calculation algorithms based on iterative model for isentropic efficiency of the compressor and for isentropic efficiency of the turbine based on the turbine inlet temperature. The isentropic efficiency characteristics of the compressor and the turbine are developed by means of the above mentioned algorithms. The gas turbine development for the high compressor ratios was the main driving force for this analysis. The obtained gas turbine electric efficiency characteristics show that an increase of pressure ratio above 50 is not justified due to the slight increase in the efficiency with a significant increase of turbine inlet combustor outlet and temperature.

Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution.

PubMed

Comitani, Federico; Rossi, Kevin; Ceriotti, Michele; Sanz, M Eugenia; Molteni, Carla

2017-04-14

The conformational free energy landscape of aspartic acid, a proteogenic amino acid involved in a wide variety of biological functions, was investigated as an example of the complexity that multiple rotatable bonds produce even in relatively simple molecules. To efficiently explore such a landscape, this molecule was studied in the neutral and zwitterionic forms, in the gas phase and in water solution, by means of molecular dynamics and the enhanced sampling method metadynamics with classical force-fields. Multi-dimensional free energy landscapes were reduced to bi-dimensional maps through the non-linear dimensionality reduction algorithm sketch-map to identify the energetically stable conformers and their interconnection paths. Quantum chemical calculations were then performed on the minimum free energy structures. Our procedure returned the low energy conformations observed experimentally in the gas phase with rotational spectroscopy [M. E. Sanz et al., Phys. Chem. Chem. Phys. 12, 3573 (2010)]. Moreover, it provided information on higher energy conformers not accessible to experiments and on the conformers in water. The comparison between different force-fields and quantum chemical data highlighted the importance of the underlying potential energy surface to accurately capture energy rankings. The combination of force-field based metadynamics, sketch-map analysis, and quantum chemical calculations was able to produce an exhaustive conformational exploration in a range of significant free energies that complements the experimental data. Similar protocols can be applied to larger peptides with complex conformational landscapes and would greatly benefit from the next generation of accurate force-fields.

Evidence of environmental strains on charge injection in silole-based organic light-emitting diodes

NASA Astrophysics Data System (ADS)

Huby, N.; Hirsch, L.; Aubouy, L.; Gerbier, P.; van der Lee, A.; Amy, F.; Kahn, A.

2007-03-01

Using density functional theory (DFT) computations, we have demonstrated a substantial skeletal relaxation when the structure of 2,5-[bis-(4-anthracene-9-yl-phenyl]-1,1-dimethyl-3,4-diphenyl-silole (BAS) is optimized in the gas-phase comparing with the molecular structure determined from monocrystal x-ray diffraction. The origin of such a relaxation is explained by a strong environmental strains induced by the presence of anthracene entities. Moreover, the estimation of the frontier orbital levels showed that this structural relaxation affects mainly the LUMO that is lowered of 190meV in the gas phase. To check if these theoretical findings would be confirmed for thin films of BAS, we turned to ultraviolet photoemission spectroscopy and/or inverse photoemission spectroscopy and electro-optical measurements. Interestingly, the study of the current density or voltage and luminance or voltage characteristics of an ITO/PEDOT/BAS/Au device clearly demonstrated a very unusual temperature-dependent behavior. Using a thermally assisted tunnel transfer model, we found that this behavior likely originated from the variation of the electronic affinity of the silole derivative with the temperature. The thermal agitation relaxes the molecular strains in thin films as it is shown when passing from the crystalline to the gas phase. The relaxation of the intramolecular thus induces an increase of the electronic affinity and, as a consequence, the more efficient electron injection in organic light-emitting diodes.

Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution

NASA Astrophysics Data System (ADS)

Comitani, Federico; Rossi, Kevin; Ceriotti, Michele; Sanz, M. Eugenia; Molteni, Carla

2017-04-01

The conformational free energy landscape of aspartic acid, a proteogenic amino acid involved in a wide variety of biological functions, was investigated as an example of the complexity that multiple rotatable bonds produce even in relatively simple molecules. To efficiently explore such a landscape, this molecule was studied in the neutral and zwitterionic forms, in the gas phase and in water solution, by means of molecular dynamics and the enhanced sampling method metadynamics with classical force-fields. Multi-dimensional free energy landscapes were reduced to bi-dimensional maps through the non-linear dimensionality reduction algorithm sketch-map to identify the energetically stable conformers and their interconnection paths. Quantum chemical calculations were then performed on the minimum free energy structures. Our procedure returned the low energy conformations observed experimentally in the gas phase with rotational spectroscopy [M. E. Sanz et al., Phys. Chem. Chem. Phys. 12, 3573 (2010)]. Moreover, it provided information on higher energy conformers not accessible to experiments and on the conformers in water. The comparison between different force-fields and quantum chemical data highlighted the importance of the underlying potential energy surface to accurately capture energy rankings. The combination of force-field based metadynamics, sketch-map analysis, and quantum chemical calculations was able to produce an exhaustive conformational exploration in a range of significant free energies that complements the experimental data. Similar protocols can be applied to larger peptides with complex conformational landscapes and would greatly benefit from the next generation of accurate force-fields.

An infrared measurement of chemical desorption from interstellar ice analogues

NASA Astrophysics Data System (ADS)

Oba, Y.; Tomaru, T.; Lamberts, T.; Kouchi, A.; Watanabe, N.

2018-03-01

In molecular clouds at temperatures as low as 10 K, all species except hydrogen and helium should be locked in the heterogeneous ice on dust grain surfaces. Nevertheless, astronomical observations have detected over 150 different species in the gas phase in these clouds. The mechanism by which molecules are released from the dust surface below thermal desorption temperatures to be detectable in the gas phase is crucial for understanding the chemical evolution in such cold clouds. Chemical desorption, caused by the excess energy of an exothermic reaction, was first proposed as a key molecular release mechanism almost 50 years ago1. Chemical desorption can, in principle, take place at any temperature, even below the thermal desorption temperature. Therefore, astrochemical network models commonly include this process2,3. Although there have been a few previous experimental efforts4-6, no infrared measurement of the surface (which has a strong advantage to quantify chemical desorption) has been performed. Here, we report the first infrared in situ measurement of chemical desorption during the reactions H + H2S → HS + H2 (reaction 1) and HS + H → H2S (reaction 2), which are key to interstellar sulphur chemistry2,3. The present study clearly demonstrates that chemical desorption is a more efficient process for releasing H2S into the gas phase than was previously believed. The obtained effective cross-section for chemical desorption indicates that the chemical desorption rate exceeds the photodesorption rate in typical interstellar environments.

Generation of basic centers in high-silica zeolites and their application in gas-phase upgrading of bio-oil.

PubMed

Keller, Tobias C; Rodrigues, Elodie G; Pérez-Ramírez, Javier

2014-06-01

High-silica zeolites have been reported recently as efficient catalysts for liquid- and gas-phase condensation reactions because of the presence of a complementary source of basicity compared to Al-rich basic zeolites. Herein, we describe the controlled generation of these active sites on silica-rich FAU, BEA, and MFI zeolites. Through the application of a mild base treatment in aqueous Na2CO3, alkali-metal-coordinating defects are generated within the zeolite whereas the porous properties are fully preserved. The resulting catalysts were applied in the gas-phase condensation of propanal at 673 K as a model reaction for the catalytic upgrading of pyrolysis oil, for which an up to 20-fold increased activity compared to the unmodified zeolites was attained. The moderate basicity of these new sites leads to a coke resistance superior to traditional base catalysts such as CsX and MgO, and comparable activity and excellent selectivity is achieved for the condensation pathways. Through strategic acid and base treatments and the use of magic-angle spinning NMR spectroscopy, the nature of the active sites was investigated, which supports the theory of siloxy sites as basic centers. This contribution represents a key step in the understanding and design of high-silica base catalysts for the intermediate deoxygenation of crude bio-oil prior to the hydrotreating step for the production of second-generation biofuels. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Pore-scale interfacial dynamics during gas-supersaturated water injection in porous media - on nucleation, growth and advection of disconnected fluid phases (Invited)

NASA Astrophysics Data System (ADS)

Or, D.; Ioannidis, M.

2010-12-01

Degassing and in situ development of a mobile gas bubbles occur when injecting supersaturated aqueous phase into water-saturated porous media. Supersaturated water injection (SWI) has potentially significant applications in remediation of soils contaminated by non-aqueous phase liquids and in enhanced oil recovery. Pore network simulations indicate the formation of a region near the injection boundary where gas phase nuclei are activated and grow by mass transfer from the flowing supersaturated aqueous phase. Ramified clusters of gas-filled pores develop which, owing to the low prevailing Bond number, grow laterally to a significant extent prior to the onset of mobilization, and are thus likely to coalesce. Gas cluster mobilization invariably results in fragmentation and stranding, such that a macroscopic region containing few tenuously connected large gas clusters is established. Beyond this region, gas phase nucleation and mass transfer from the aqueous phase are limited by diminishing supply of dissolved gas. New insights into SWI dynamics are obtained using rapid micro-visualization in transparent glass micromodels. Using high-speed imaging, we observe the nucleation, initial growth and subsequent fate (mobilization, fragmentation, collision, coalescence and stranding) of CO2 bubbles and clusters of gas-filled pores and analyze cluster population statistics. We find significant support for the development of invasion-percolation-like patterns, but also report on hitherto unaccounted for gas bubble behavior. Additionally, we report for the first time on the acoustic emission signature of SWI in porous media and relate it to the dynamics of bubble nucleation and growth. Finally, we identify the pore-scale mechanisms associated with the mobilization and subsequent recovery of a residual non-aqueous phase liquid due to gas bubble dynamics during SWI.

System for measuring multiphase flow using multiple pressure differentials

DOEpatents

Fincke, James R.

2003-01-01

An improved method and system for measuring a multi-phase flow in a pressure flow meter. An extended throat venturi is used and pressure of the multi-phase flow is measured at three or more positions in the venturi, which define two or more pressure differentials in the flow conduit. The differential pressures are then used to calculate the mass flow of the gas phase, the total mass flow, and the liquid phase. The system for determining the mass flow of the high void fraction fluid flow and the gas flow includes taking into account a pressure drop experienced by the gas phase due to work performed by the gas phase in accelerating the liquid phase.

Ionic Liquid Fuels for Chemical Propulsion

DTIC Science & Technology

2016-10-31

nucleophilicity in the ionic liquid is critical. Both gas -phase and condensed-phase (CPCM-GIL) density functional theory calculations support the...stability trends in dialkylimidazolium ionic liquids and could be used as a higher accuracy method than the gas -phase DFT approach for predicting thermal...stabilities of ionic liquids in general. One important finding from the comparison of the gas -phase basicities relative to the GIL condensed- phase

Development of continuous dispersive liquid-liquid microextraction performed in home-made device for extraction and preconcentration of aryloxyphenoxy-propionate herbicides from aqueous samples followed by gas chromatography-flame ionization detection.

PubMed

Farajzadeh, Mir Ali; Mohebbi, Ali; Feriduni, Behruz

2016-05-12

In this study, a rapid, simple, and efficient sample preparation method based on continuous dispersive liquid-liquid microextraction has been developed for the extraction and preconcentration of aryloxyphenoxy-propionate herbicides from aqueous samples prior to their analysis by gas chromatography-flame ionization detection. In this method, two parallel glass tubes with different diameters are connected with a teflon stopcock and used as an extraction device. A mixture of disperser and extraction solvents is transferred into one side (narrow tube) of the extraction device and an aqueous phase containing the analytes is filled into the other side (wide tube). Then the stopcock is opened and the mixture of disperser and extraction solvents mixes with the aqueous phase. By this action, the extraction solvent is dispersed continuously as fine droplets into the aqueous sample and the target analytes are extracted into the fine droplets of the extraction solvent. The fine droplets move up through the aqueous phase due to its low density compared to aqueous phase and collect on the surface of the aqueous phase as an organic layer. Finally an aliquot of the organic phase is removed and injected into the separation system for analysis. Several parameters that can affect extraction efficiency including type and volume of extraction and disperser solvents, sample pH, and ionic strength were investigated and optimized. Under the optimum extraction conditions, the extraction recoveries and enrichment factors ranged from 49 to 74% and 1633 to 2466, respectively. Relative standard deviations were in the ranges of 3-6% (n = 6, C = 30 μg L(-1)) for intra-day and 4-7% (n = 4, C = 30 μg L(-1)) for inter-day precisions. The limits of detection were in the range of 0.20-0.86 μg L(-1). Finally the proposed method was successfully applied to determine the target herbicides in fruit juice and vegetable samples. Copyright © 2016 Elsevier B.V. All rights reserved.

A Numerical Study of Factors Affecting Fracture-Fluid Cleanup and Produced Gas/Water in Marcellus Shale: Part II

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seales, Maxian B.; Dilmore, Robert; Ertekin, Turgay

Horizontal wells combined with successful multi-stage hydraulic fracture treatments are currently the most established method for effectively stimulating and enabling economic development of gas bearing organic-rich shale formations. Fracture cleanup in the Stimulated Reservoir Volume (SRV) is critical to stimulation effectiveness and long-term well performance. However, fluid cleanup is often hampered by formation damage, and post-fracture well performance frequently falls below expectations. A systematic study of the factors that hinder fracture fluid cleanup in shale formations can help optimize fracture treatments and better quantify long term volumes of produced water and gas. Fracture fluid cleanup is a complex process influencedmore » by multi-phase flow through porous media (relative permeability hysteresis, capillary pressure etc.), reservoir rock and fluid properties, fracture fluid properties, proppant placement, fracture treatment parameters, and subsequent flowback and field operations. Changing SRV and fracture conductivity as production progresses further adds to the complexity of this problem. Numerical simulation is the best, and most practical approach to investigate such a complicated blend of mechanisms, parameters, their interactions, and subsequent impact on fracture fluid cleanup and well deliverability. In this paper, a 3-dimensional, 2-phase, dual-porosity model was used to investigate the impact of multiphase flow, proppant crushing, proppant diagenesis, shut-in time, reservoir rock compaction, gas slippage, and gas desorption on fracture fluid cleanup, and well performance in Marcellus shale. The research findings have shed light on the factors that substantially constrains efficient fracture fluid cleanup in gas shales, and provided guidelines for improved fracture treatment designs and water management.« less

Gas Phase Nanoparticle Synthesis

NASA Astrophysics Data System (ADS)

Granqvist, Claes; Kish, Laszlo; Marlow, William

This book deals with gas-phase nanoparticle synthesis and is intended for researchers and research students in nanomaterials science and engineering, condensed matter physics and chemistry, and aerosol science. Gas-phase nanoparticle synthesis is instrumental to nanotechnology - a field in current focus that raises hopes for environmentally benign, resource-lean manufacturing. Nanoparticles can be produced by many physical, chemical, and even biological routes. Gas-phase synthesis is particularly interesting since one can achieve accurate manufacturing control and hence industrial viability.

Multi-Scale Morphological Analysis of Conductance Signals in Vertical Upward Gas-Liquid Two-Phase Flow

NASA Astrophysics Data System (ADS)

Lian, Enyang; Ren, Yingyu; Han, Yunfeng; Liu, Weixin; Jin, Ningde; Zhao, Junying

2016-11-01

The multi-scale analysis is an important method for detecting nonlinear systems. In this study, we carry out experiments and measure the fluctuation signals from a rotating electric field conductance sensor with eight electrodes. We first use a recurrence plot to recognise flow patterns in vertical upward gas-liquid two-phase pipe flow from measured signals. Then we apply a multi-scale morphological analysis based on the first-order difference scatter plot to investigate the signals captured from the vertical upward gas-liquid two-phase flow loop test. We find that the invariant scaling exponent extracted from the multi-scale first-order difference scatter plot with the bisector of the second-fourth quadrant as the reference line is sensitive to the inhomogeneous distribution characteristics of the flow structure, and the variation trend of the exponent is helpful to understand the process of breakup and coalescence of the gas phase. In addition, we explore the dynamic mechanism influencing the inhomogeneous distribution of the gas phase in terms of adaptive optimal kernel time-frequency representation. The research indicates that the system energy is a factor influencing the distribution of the gas phase and the multi-scale morphological analysis based on the first-order difference scatter plot is an effective method for indicating the inhomogeneous distribution of the gas phase in gas-liquid two-phase flow.

Comparing the catalytic oxidation of ethanol at the solid-gas and solid-liquid interfaces over size-controlled Pt nanoparticles: striking differences in kinetics and mechanism.

PubMed

Sapi, Andras; Liu, Fudong; Cai, Xiaojun; Thompson, Christopher M; Wang, Hailiang; An, Kwangjin; Krier, James M; Somorjai, Gabor A

2014-11-12

Pt nanoparticles with controlled size (2, 4, and 6 nm) are synthesized and tested in ethanol oxidation by molecular oxygen at 60 °C to acetaldehyde and carbon dioxide both in the gas and liquid phases. The turnover frequency of the reaction is ∼80 times faster, and the activation energy is ∼5 times higher at the gas-solid interface compared to the liquid-solid interface. The catalytic activity is highly dependent on the size of the Pt nanoparticles; however, the selectivity is not size sensitive. Acetaldehyde is the main product in both media, while twice as much carbon dioxide was observed in the gas phase compared to the liquid phase. Added water boosts the reaction in the liquid phase; however, it acts as an inhibitor in the gas phase. The more water vapor was added, the more carbon dioxide was formed in the gas phase, while the selectivity was not affected by the concentration of the water in the liquid phase. The differences in the reaction kinetics of the solid-gas and solid-liquid interfaces can be attributed to the molecular orientation deviation of the ethanol molecules on the Pt surface in the gas and liquid phases as evidenced by sum frequency generation vibrational spectroscopy.

Flow-pattern identification and nonlinear dynamics of gas-liquid two-phase flow in complex networks.

PubMed

Gao, Zhongke; Jin, Ningde

2009-06-01

The identification of flow pattern is a basic and important issue in multiphase systems. Because of the complexity of phase interaction in gas-liquid two-phase flow, it is difficult to discern its flow pattern objectively. In this paper, we make a systematic study on the vertical upward gas-liquid two-phase flow using complex network. Three unique network construction methods are proposed to build three types of networks, i.e., flow pattern complex network (FPCN), fluid dynamic complex network (FDCN), and fluid structure complex network (FSCN). Through detecting the community structure of FPCN by the community-detection algorithm based on K -mean clustering, useful and interesting results are found which can be used for identifying five vertical upward gas-liquid two-phase flow patterns. To investigate the dynamic characteristics of gas-liquid two-phase flow, we construct 50 FDCNs under different flow conditions, and find that the power-law exponent and the network information entropy, which are sensitive to the flow pattern transition, can both characterize the nonlinear dynamics of gas-liquid two-phase flow. Furthermore, we construct FSCN and demonstrate how network statistic can be used to reveal the fluid structure of gas-liquid two-phase flow. In this paper, from a different perspective, we not only introduce complex network theory to the study of gas-liquid two-phase flow but also indicate that complex network may be a powerful tool for exploring nonlinear time series in practice.

Gas-phase synthesis of singly and multiply charged polyoxovanadate anions employing electrospray ionization and collision induced dissociation.

PubMed

Al Hasan, Naila M; Johnson, Grant E; Laskin, Julia

2013-09-01

Electrospray ionization mass spectrometry (ESI-MS) combined with in-source fragmentation and tandem mass spectrometry (MS/MS) experiments were used to generate a wide range of singly and multiply charged vanadium oxide cluster anions including VxOy(n-) and VxOyCl(n-) ions (x = 1-14, y = 2-36, n = 1-3), protonated clusters, and ligand-bound polyoxovanadate anions. The cluster anions were produced by electrospraying a solution of tetradecavanadate, V14O36Cl(L)5 (L = Et4N(+), tetraethylammonium), in acetonitrile. Under mild source conditions, ESI-MS generates a distribution of doubly and triply charged VxOyCl(n-) and VxOyCl(L)((n-1)-) clusters predominantly containing 14 vanadium atoms as well as their protonated analogs. Accurate mass measurement using a high-resolution LTQ/Orbitrap mass spectrometer (m/Δm = 60,000 at m/z 410) enabled unambiguous assignment of the elemental composition of the majority of peaks in the ESI-MS spectrum. In addition, high-sensitivity mass spectrometry allowed the charge state of the cluster ions to be assigned based on the separation of the major from the much less abundant minor isotope of vanadium. In-source fragmentation resulted in facile formation of smaller VxOyCl((1-2)-) and VxOy ((1-2)-) anions. Collision-induced dissociation (CID) experiments enabled systematic study of the gas-phase fragmentation pathways of the cluster anions originating from solution and from in-source CID. Surprisingly simple fragmentation patterns were obtained for all singly and doubly charged VxOyCl and VxOy species generated through multiple MS/MS experiments. In contrast, cluster anions originating directly from solution produced comparatively complex CID spectra. These results are consistent with the formation of more stable structures of VxOyCl and VxOy anions through low-energy CID. Furthermore, our results demonstrate that solution-phase synthesis of one precursor cluster anion combined with gas-phase CID is an efficient approach for the top-down synthesis of a wide range of singly and multiply charged gas-phase metal oxide cluster anions for subsequent investigations of structure and reactivity using mass spectrometry and ion spectroscopy techniques.

Gas-Phase Synthesis of Singly and Multiply Charged Polyoxovanadate Anions Employing Electrospray Ionization and Collision Induced Dissociation

NASA Astrophysics Data System (ADS)

Al Hasan, Naila M.; Johnson, Grant E.; Laskin, Julia

2013-09-01

Electrospray ionization mass spectrometry (ESI-MS) combined with in-source fragmentation and tandem mass spectrometry (MS/MS) experiments were used to generate a wide range of singly and multiply charged vanadium oxide cluster anions including VxOy n- and VxOyCln- ions (x = 1-14, y = 2-36, n = 1-3), protonated clusters, and ligand-bound polyoxovanadate anions. The cluster anions were produced by electrospraying a solution of tetradecavanadate, V14O36Cl(L)5 (L = Et4N+, tetraethylammonium), in acetonitrile. Under mild source conditions, ESI-MS generates a distribution of doubly and triply charged VxOyCln- and VxOyCl(L)(n-1)- clusters predominantly containing 14 vanadium atoms as well as their protonated analogs. Accurate mass measurement using a high-resolution LTQ/Orbitrap mass spectrometer (m/Δm = 60,000 at m/z 410) enabled unambiguous assignment of the elemental composition of the majority of peaks in the ESI-MS spectrum. In addition, high-sensitivity mass spectrometry allowed the charge state of the cluster ions to be assigned based on the separation of the major from the much less abundant minor isotope of vanadium. In-source fragmentation resulted in facile formation of smaller VxOyCl(1-2)- and VxOy (1-2)- anions. Collision-induced dissociation (CID) experiments enabled systematic study of the gas-phase fragmentation pathways of the cluster anions originating from solution and from in-source CID. Surprisingly simple fragmentation patterns were obtained for all singly and doubly charged VxOyCl and VxOy species generated through multiple MS/MS experiments. In contrast, cluster anions originating directly from solution produced comparatively complex CID spectra. These results are consistent with the formation of more stable structures of VxOyCl and VxOy anions through low-energy CID. Furthermore, our results demonstrate that solution-phase synthesis of one precursor cluster anion combined with gas-phase CID is an efficient approach for the top-down synthesis of a wide range of singly and multiply charged gas-phase metal oxide cluster anions for subsequent investigations of structure and reactivity using mass spectrometry and ion spectroscopy techniques.

Potential Fifty Percent Reduction in Saturation Diving Decompression Time Using a Combination of Intermittent Recompression and Exercise

NASA Technical Reports Server (NTRS)

Gernhardt, Michael I.; Abercromby, Andrew; Conklin, Johnny

2007-01-01

Conventional saturation decompression protocols use linear decompression rates that become progressively slower at shallower depths, consistent with free gas phase control vs. dissolved gas elimination kinetics. If decompression is limited by control of free gas phase, linear decompression is an inefficient strategy. The NASA prebreathe reduction program demonstrated that exercise during O2 prebreathe resulted in a 50% reduction (2 h vs. 4 h) in the saturation decompression time from 14.7 to 4.3 psi and a significant reduction in decompression sickness (DCS: 0 vs. 23.7%). Combining exercise with intermittent recompression, which controls gas phase growth and eliminates supersaturation before exercising, may enable more efficient saturation decompression schedules. A tissue bubble dynamics model (TBDM) was used in conjunction with a NASA exercise prebreathe model (NEPM) that relates tissue inert gas exchange rate constants to exercise (ml O2/kg-min), to develop a schedule for decompression from helium saturation at 400 fsw. The models provide significant prediction (p < 0.001) and goodness of fit with 430 cases of DCS in 6437 laboratory dives for TBDM (p = 0.77) and with 22 cases of DCS in 159 altitude exposures for NEPM (p = 0.70). The models have also been used operationally in over 25,000 dives (TBDM) and 40 spacewalks (NEPM). The standard U.S. Navy (USN) linear saturation decompression schedule from saturation at 400 fsw required 114.5 h with a maximum Bubble Growth Index (BGI(sub max)) of 17.5. Decompression using intermittent recompression combined with two 10 min exercise periods (75% VO2 (sub peak)) per day required 54.25 h (BGI(sub max): 14.7). Combined intermittent recompression and exercise resulted in a theoretical 53% (2.5 day) reduction in decompression time and theoretically lower DCS risk compared to the standard USN decompression schedule. These results warrant future decompression trials to evaluate the efficacy of this approach.

Bulk Viscosity of Bubbly Magmas and the Amplification of Pressure Waves

NASA Astrophysics Data System (ADS)

Navon, O.; Lensky, N. G.; Neuberg, J. W.; Lyakhovsky, V.

2001-12-01

The bulk viscosity of magma is needed in order to describe the dynamics of a compressible bubbly magma flowing in conduits and to follow the attenuation of pressure waves travelling through a compressible magma. We developed a model for the bulk viscosity of a suspension of gas bubbles in an incompressible Newtonian liquid that exsolves volatiles (e.g. magma). The suspension is modeled as a close pack of spherical cells, consisting of gas bubbles centered in spherical shells of a volatile-bearing liquid. Following a drop in the ambient pressure the resulting dilatational motion and driving pressure are obtained in terms of the two-phase cell parameters, i.e. bubble radius and gas pressure. By definition, the bulk viscosity of a fluid is the relation between changes of the driving pressure with respect to changes in the resulted expansion strain-rate. Thus, we can use the two-phase solution to define the bulk viscosity of a hypothetical cell, composed of a homogeneously compressible, one-phase, continuous fluid. The resulted bulk viscosity is highly non-linear. At the beginning of the expansion process, when gas exsolution is efficient, the expansion rate grows exponentially while the driving pressure decreases slightly. That means that bulk viscosity is formally negative. The negative value reflects the release of the energy stored in the supersaturated liquid (melt) and its conversion to mechanical work during exsolution. Later, when bubbles are large enough and the gas influx decreases significantly, the strain rate decelerates and the bulk viscosity becomes positive as expected in a dissipative system. We demonstrate that amplification of seismic wave travelling through a volcanic conduit filled with a volatile saturated magma may be attributed to the negative bulk viscosity of the compressible magma. Amplification of an expansion wave may, at some level in the conduit, damage the conduit walls and initiate opening of new pathways for magma to erupt.

Development of a Nondestructive Evaluation Technique for Degraded Thermal Barrier Coatings Using Microwave

NASA Astrophysics Data System (ADS)

Sayar, M.; Ogawa, K.; Shoji, T.

2008-02-01

Thermal barrier coatings have been widely used in gas turbine engines in order to protect substrate metal alloy against high temperature and to enhance turbine efficiency. Currently, there are no reliable nondestructive techniques available to monitor TBC integrity over lifetime of the coating. Hence, to detect top coating (TC) and TGO thicknesses, a microwave nondestructive technique that utilizes a rectangular waveguide was developed. The phase of the reflection coefficient at the interface of TC and waveguide varies for different TGO and TC thicknesses. Therefore, measuring the phase of the reflection coefficient enables us to accurately calculate these thicknesses. Finally, a theoretical analysis was used to evaluate the reliability of the experimental results.