Power stabilized CO2 gas transport laser

International Nuclear Information System (INIS)

Foster, J.D.; Kirk, R.F.; Moreno, F.E.; Ahmed, S.A.

1975-01-01

The output power of a high power (1 kW or more) CO 2 gas transport laser is stabilized by flowing the gas mixture over copper plated baffles in the gas channel during operation of the laser. Several other metals may be used instead of copper, for example, nickel, manganese, palladium, platinum, silver and gold. The presence of copper in the laser gas circuit stabilizes output power by what is believed to be a compensation of the chemical changes in the gas due to the cracking action of the electrical discharge which has the effect of diminishing the capactiy of the carbon dioxide gas mixture to maintain the rated power output of the laser. (U.S.)

Frequency stabilization of a He-Ne gas laser by controlling refractive index of laser plasma

International Nuclear Information System (INIS)

Xie Yi; Wu Yizun

1991-01-01

A new way to stabilize the frequency of a Zeeman He-Ne gas laser is described. The laser frequency is stabilized by controlling the refractive index of the laser plasma. It does not need a gas laser tube with a piezoelectric ceramic (PZT) made by special technology. As the phase-locking technology is used in the laser servo system, the self-beat frequency is a constant and the frequency stability is better than 2.2 x 10 -11 (averaging time = 10 sec.). The long term frequency fluctuation never exceeded 2 x 10 -8 during two months. The frequency of the locked point can be adjusted continuously in the range of over 200 MHz

Comparison of electrical and optical characteristics in gas-phase and gas-liquid phase discharges

Energy Technology Data Exchange (ETDEWEB)

Qazi, H. I. A.; Li, He-Ping, E-mail: liheping@tsinghua.edu.cn; Zhang, Xiao-Fei; Bao, Cheng-Yu [Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Nie, Qiu-Yue [School of Electrical Engineering and Automation, Harbin Institute of Technology, Harbin, Heilongjiang Province 150001 (China)

2015-12-15

This paper presents an AC-excited argon discharge generated using a gas-liquid (two-phase) hybrid plasma reactor, which mainly consists of a powered needle electrode enclosed in a conical quartz tube and grounded deionized water electrode. The discharges in the gas-phase, as well as in the two-phase, exhibit two discharge modes, i.e., the low current glow-like diffuse mode and the high current streamer-like constrict mode, with a mode transition, which exhibits a negative resistance of the discharges. The optical emission spectral analysis shows that the stronger diffusion of the water vapor into the discharge region in the two-phase discharges boosts up the generation of OH (A–X) radicals, and consequently, leads to a higher rotational temperature in the water-phase plasma plume than that of the gas-phase discharges. Both the increase of the power input and the decrease of the argon flow rate result in the increase of the rotational temperature in the plasma plume of the water-phase discharge. The stable two-phase discharges with a long plasma plume in the water-phase under a low power input and gas flow rate may show a promising prospect for the degradation of organic pollutants, e.g., printing and dyeing wastewater, in the field of environmental protection.

Evaluation of gamma radiation effects on stationary phases using gas chromatografy

International Nuclear Information System (INIS)

Basso, M.A.; Collins, K.E.; Collins, C.H.

1988-01-01

The overall objetive of this project is a thorough study of the effect of gamma radiation on supported stationary phases used in packed-column gas chromatography. The phases studied were SP-2100 on Supelcoport and SE-30 on Chromsorb W. The fases were irradiated with cobalt-60 gamma rays to various doses and subsequently subjected to tests of extractability, termal stability and efficiency as a chromatographic column packing. Extraction tests indicate that low doses of radiation are sufficient to produce significant immobilization of these polymethylsilicones; that is, to produce chemical bonds between different polymer chains or between the stationary phase and the support. Thermal stability is also increased. The values calculated for the number of theoretical plates (n) and resolution (Rsub (s)) after analysis of four synthetic mixtures of organic compounds also increase, in most cases, indicating that the gamma irradiation has positively altered the behavior of these stationary phases. (author) [pt

An Introduction to the Gas Phase

Science.gov (United States)

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.

Electron concentration and phase stability in NbCr2-based Laves phase alloys

Energy Technology Data Exchange (ETDEWEB)

Zhu, J.H.; Liaw, P.K. [Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering; Liu, C.T. [Oak Ridge National Lab., TN (United States). Metals and Ceramics Div.

1997-05-12

Phase stability in NbCr{sub 2}-based transition-metal Laves phases was studied, based on the data reported for binary X-Cr, Nb-X, and ternary Nb-Cr-X phase diagrams. It was shown that when the atomic size ratios are kept identical, the average electron concentration factor, e/a, is the dominating factor in controlling the phase stability of NbCr{sub 2}-based transition-metal Laves phases. The e/a ratios for different Laves polytypes were determined as followed: with e/a < 5.76, the C15 structure is stabilized; at an e/a range of 5.88--7.53, the C14 structure is stabilized; with e/a > 7.65, the C15 structure is stabilized again. A further increase in the electron concentration factor (e/a > 8) leads to the disordering of the alloy. The electron concentration effect on the phase stability of Mg-based Laves phases and transition-metal A{sub 3}B intermetallic compounds is also reviewed and compared with the present observations in transition-metal Laves phases. In order to verify the e/a/phase stability relationship experimentally, additions of Cu (with e/a = 11) were selected to replace Cr in the NbCr{sub 2} Laves phase. Experimental results for the ternary Nb-Cr-Cu system are reported and discussed in terms of the correlation between the e/a ratio and phase stability in NbCr{sub 2}-based Laves phases. A new phase was found, which has an average composition of Nb-47Cr-3Cu. Within the solubility limit, the electron concentration and phase stability relationship is obeyed in the Nb-Cr-Cu system.

Chlorination of some eliphatic organic compounds in liquid and gas phase

International Nuclear Information System (INIS)

Hassan, A.A.

1990-01-01

The photochlorination of different organic compounds and the relative slectivities of different positions have been investigated in both gaseous and liquid phases at different temperatures. The results have shown that the relative selectivity generally decreased with increasing temperature and in the gas phase has a higher value. Polar solvents increase the selectivity relative to the chlorination of pure liquid phases. The differences in activation energy between two positions were much higher in the gas phases chlorination, relative to that in the liquid phase. It was also found that the functional groups have great influence on the rate of chlorine free radical attack on different positions, for example the electron withdrawing groups decreasing the selectivity on the first position, but the electron donating groups increase the selectivity on the first position, but the electron donating groups increase the selectivity on the first position. Furthermore it was found that the polar solvents, which stabilize the resonance between oxygen and carbon atoms, increases the selectivity on that position. 23 tabs.; 16 figs.; 50 refs

On the stability of boundary layers in gas mantle systems

International Nuclear Information System (INIS)

Ohlsson, D.

1978-10-01

In this thesis a systematic investigation of the stability properties of the partially ionized boundary regions of gas mantle systems for a large class of dissipative magneto-hydrodynamic modes is presented. In the partially ionized boundary regions of gas mantle systems several strong stabilizing mechanisms arise due to coupling between various dissipative effects in certain parameter regions. The presence of neutral gas strongly enhances the stabilizing effects in a dual fashion. First in an indirect way by cooling the edge region and second in a direct way by enhancing viscous and heat conduction effects. It has, however, to be pointed out that exceptions from this general picture may be found. The stabilizing influence of neutral gas on a large class of electrostatic as well as electromagnetic modes in the boundary regions of gas blanket systems is contrary to what has been found in low density weakly ionized plasmas. In these latter cases presence of neutral gas has even been found to be responsible for the onset of entirely new classes of instabilities. Thus there is no universal stabilizing or destabilizing effect associated with plasma-neutral gas interaction effects. (author)

Theoretical Investigation of the Structural Stabilities of Ceria Surfaces and Supported Metal Nanocluster in Vapor and Aqueous Phases

Energy Technology Data Exchange (ETDEWEB)

Ren, Zhibo [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Liu, Ning [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Chen, Biaohua [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Li, Jianwei [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Mei, Donghai [Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

2018-01-25

Understanding the structural stability and dynamics at the interface between the solid metal oxide and aqueous phase is significant in a variety of industrial applications including heterogeneous catalysis and environmental remediation. In the present work, the stabilities of three low-index ceria (CeO2) surfaces, i.e., (111), (110) and (100) in vapor and aqueous phases were studied using ab initio molecular dynamics simulations and density functional theory (DFT) calculations. Gibbs surface free energies as a function of temperature, water partial pressure, and water coverages were calculated using DFT based atomistic thermodynamic approach. On the basis of surface free energies, the morphology and exposed surface structures of the CeO2 nanoparticle were predicted using Wulff construction principle. It is found that the partially hydroxylated (111) and (100) are two major surface structures of CeO2 nanoparticles in vapor phase at ambient temperature (300 K). As the temperature increases, the fully dehydrated (111) surface gradually becomes the most dominant surface structure. While in aqueous phase, the exposed surface of the CeO2 nanoparticle is dominated by the hydroxylated (110) structure at 393 K. Finally, the morphology and stability of a cuboctahedron Pt13 nanocluster supported on CeO2 surfaces in both gas and aqueous phases were investigated. In gas phase, the supported Pt13 nanocluster has the tendency to wetting the CeO2 surface due to the strong metal-support interaction. The calculated interaction energies suggest the CeO2(110) surface provides the best stability for the Pt13 nanocluster. The CeO2 supported Pt13 nanoclusters are oxidized. Compared to the gas phase, the morphology of the CeO2 supported Pt13 nanocluster is less distorted due to the solvation effect provided by surrounding water molecules in aqueous phase. More electrons are transferred from the Pt13 nanocluster to the CeO2 support, implying the supported Pt13 nanocluster is further

Spectral analysis and quantum chemical studies of chair and twist-boat conformers of cycloheximide in gas and solution phases

Science.gov (United States)

Tokatli, A.; Ucun, F.; Sütçü, K.; Osmanoğlu, Y. E.; Osmanoğlu, Ş.

2018-02-01

In this study the conformational behavior of cycloheximide in the gas and solution (CHCl3) phases has theoretically been investigated by spectroscopic and quantum chemical properties using density functional theory (wB97X-D) method with 6-31++G(d,p) basis set, for the first time. The calculated IR results reveal that in the ground state the molecule exits as a mixture of the chair and twist-boat conformers in the gas phase, while the calculated NMR results reveal that it only exits as the chair conformer in the solution phase. In order to obtain the contributions coming from intramolecular interactions to the stability of the conformers in the gas and solution phases, the quantum theory of atoms in molecules (QTAIM), noncovalent interactions (NCI) method, and natural bond orbital analysis (NBO) have been employed. The QTAIM and NCI methods indicated that by intramolecular interactions with bond critical point (BCP) the twist-boat conformer is more stabilized than the chair conformer, while by steric interactions it is more destabilized. Considering that these interactions balance each other, the stabilities of the conformers are understood to be dictated by the van der Waals interactions. The NBO analyses show that the hyperconjugative and steric effects play an important role in the stabilization in the gas and solution phases. Furthermore, to get a better understanding of the chemical behavior of this important antibiotic drug we have evaluated and, commented the global and local reactivity descriptors of the both conformers. Finally, the EPR analysis of γ-irradiated cycloheximide has been done. The comparison of the experimental and calculated data have showed the inducement of a radical structure of (CH2)2ĊCH2 in the molecule. The experimental EPR spectrum has also confirmed that the molecule simultaneously exists in the chair and twist-boat conformers in the solid phase.

Closed-cage tungsten oxide clusters in the gas phase.

Science.gov (United States)

Singh, D M David Jeba; Pradeep, T; Thirumoorthy, Krishnan; Balasubramanian, Krishnan

2010-05-06

During the course of a study on the clustering of W-Se and W-S mixtures in the gas phase using laser desorption ionization (LDI) mass spectrometry, we observed several anionic W-O clusters. Three distinct species, W(6)O(19)(-), W(13)O(29)(-), and W(14)O(32)(-), stand out as intense peaks in the regular mass spectral pattern of tungsten oxide clusters suggesting unusual stabilities for them. Moreover, these clusters do not fragment in the postsource decay analysis. While trying to understand the precursor material, which produced these clusters, we found the presence of nanoscale forms of tungsten oxide. The structure and thermodynamic parameters of tungsten clusters have been explored using relativistic quantum chemical methods. Our computed results of atomization energy are consistent with the observed LDI mass spectra. The computational results suggest that the clusters observed have closed-cage structure. These distinct W(13) and W(14) clusters were observed for the first time in the gas phase.

Iodine removal from a gas phase

International Nuclear Information System (INIS)

Vikis, A. Ch.

1982-01-01

Iodine, e.g. radioactive iodine, present as one or more organic iodides, optionally with elemental iodine, in a gas phase (e.g. air) are removed by photochemically decomposing the organic iodides to elemental iodine, reacting the iodine produced, and any initially present with excess ozone, preferably photochemically produced in situ in the gas phase to produce solid iodine oxides, and removing the solid oxides from the gas phase. (author)

Iodine removal from a gas phase

International Nuclear Information System (INIS)

Vikis, A.C.

1984-01-01

Iodine, e.g. radioactive iodine, present as one or more organic iodides, optionally with elemental iodine, in a gas phase (e.g. air) are removed by photochemically decomposing the organic iodides to elemental iodine, reacting the iodine produced, and any initially present with excess ozone, preferably photochemically produced in situ in the gas phase to produce solid iodine oxides, and removing the solid oxides from the gas phase

Study of chemical stability of lemon oil components in sodium caseinate-lactose glycoconjugate-stabilized oil-in-water emulsions using solid-phase microextraction-gas chromatography.

Science.gov (United States)

Sabik, Hassan; Achouri, Allaoua; Alfaro, Maria; Pelletier, Marylène; Belanger, Denis; Britten, Michel; Fustier, Patrick

2014-07-25

A headspace solid-phase microextraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC/MS) method was developed to quantify lemon oil components and their degradation products in oil-in-water (O/W) emulsions prepared with sodium caseinate-heated-lactose (NaC-T + Lact) glycoconjugates as wall materials at two pH values (3.0 and 6.8). NaC-T + Lact conjugates had a significantly lower solubility at both pHs. Hydrolysis prior to glycation enhanced the solubility of glycoconjugates. Glycation with lactose did not improve the emulsion activity of NaC, while caseinate glycoconjugates showed much stronger antioxidant activity than the NaC-control sample. This might be due to the presence of melanoidins formed between the sugar and amino acid compounds as supported by the increase in browning intensity. Among the SPME-fibres tested, carboxen/polydimethylsiloxane (CAR/PDMS) provided better results in terms of sensitivity and selectivity for oil lemon components and their degradation products. Storage studies of these emulsions demonstrated that glycated NaC-T + Lact showed protection against peroxidation compared to the control. However, acidic pH conditions altered their stability over storage time. The major off-flavor components (α-terpineol and carvone) were inhibited in emulsions stabilized with glycated NaC, particularly at pH 6.8. The use of NaC-T + Lact conjugates showed improved encapsulation efficiency and stability and could be used as potential food ingredient-emulsifiers for stabilising citrus oils against oxidative degradation in food and beverage applications.

On the thermodynamic stability of the generalized Chaplygin gas

International Nuclear Information System (INIS)

Santos, F.C.; Bedran, M.L.; Soares, V.

2006-01-01

The main purpose of this Letter is to discuss the temperature behavior and the thermodynamic stability of an exotic fluid known as generalized Chaplygin gas considering only general thermodynamics. This fluid is considered a perfect fluid which obeys an adiabatic equation of state like P=-A/ρ α , where P and ρ are respectively the pressure and energy density; the parameter A is a positive universal constant and α>0. It is remarked that if the energy density of the fluid is a function of volume only, the temperature of the fluid remains zero at any pressure or volume, violating the third law of thermodynamics. We have determined a scenario where its thermal equation of state depends on temperature only and the fluid presents thermodynamic stability during any expansion process. Such a scenario also reveals that the fluid cools down through the expansion without facing any critical point or phase transition

The Contribution of the Activation Entropy to the Gas-Phase Stability of Modified Nucleic Acid Duplexes

Science.gov (United States)

Hari, Yvonne; Dugovič, Branislav; Istrate, Alena; Fignolé, Annabel; Leumann, Christian J.; Schürch, Stefan

2016-07-01

Tricyclo-DNA (tcDNA) is a sugar-modified analogue of DNA currently tested for the treatment of Duchenne muscular dystrophy in an antisense approach. Tandem mass spectrometry plays a key role in modern medical diagnostics and has become a widespread technique for the structure elucidation and quantification of antisense oligonucleotides. Herein, mechanistic aspects of the fragmentation of tcDNA are discussed, which lay the basis for reliable sequencing and quantification of the antisense oligonucleotide. Excellent selectivity of tcDNA for complementary RNA is demonstrated in direct competition experiments. Moreover, the kinetic stability and fragmentation pattern of matched and mismatched tcDNA heteroduplexes were investigated and compared with non-modified DNA and RNA duplexes. Although the separation of the constituting strands is the entropy-favored fragmentation pathway of all nucleic acid duplexes, it was found to be only a minor pathway of tcDNA duplexes. The modified hybrid duplexes preferentially undergo neutral base loss and backbone cleavage. This difference is due to the low activation entropy for the strand dissociation of modified duplexes that arises from the conformational constraint of the tc-sugar-moiety. The low activation entropy results in a relatively high free activation enthalpy for the dissociation comparable to the free activation enthalpy of the alternative reaction pathway, the release of a nucleobase. The gas-phase behavior of tcDNA duplexes illustrates the impact of the activation entropy on the fragmentation kinetics and suggests that tandem mass spectrometric experiments are not suited to determine the relative stability of different types of nucleic acid duplexes.

Gas phase enthalpies of formation of nitrobenzamides using combustion calorimetry and thermal analysis

International Nuclear Information System (INIS)

Ximello, Arturo; Flores, Henoc; Rojas, Aarón; Adriana Camarillo, E.; Patricia Amador, M.

2014-01-01

Graphical abstract: - Highlights: • Formation enthalpies of the nitrobenzamides were derived from combustion calorimetry. • Enthalpies of vaporisation and sublimation were calculated by thermogravimetry. • From gas phase enthalpies of formation the stability of the isomers is studied. • Stability of isomers is not driven by a steric hindrance between functional groups. - Abstract: The standard molar energies of combustion of 2-nitrobenzamide, 3-nitrobenzamide and 4-nitrobenzamide were determined with an isoperibolic, static-bomb, combustion calorimeter. From the combustion results, the standard molar enthalpies of combustion and formation for these compounds in the condensed phase at T = 298.15 K were derived. Subsequently, to determine the enthalpies of sublimation, the vapour pressure data as a function of the temperature for the compounds under investigation were estimated using thermogravimetry by applying Langmuir’s equation, and the enthalpies of vaporisation were derived. Standard enthalpies of fusion were measured by differential scanning calorimetry then added to those of vaporisation to obtain reliable results for the enthalpy of sublimation. From the combustion and sublimation data, the gas phase enthalpies of formation were determined to be (−138.9 ± 3.5) kJ · mol −1 , (−122.9 ± 2.9) kJ · mol −1 and (−108.5 ± 3.7) kJ · mol −1 for the ortho, meta and para isomers of nitrobenzamide, respectively. The meaning of these results with regard to the enthalpic stability of these molecular structures is discussed herein

Gas phase ion chemistry

CERN Document Server

Bowers, Michael T

1979-01-01

Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well

Approximate entropy—a new statistic to quantify arc and welding process stability in short-circuiting gas metal arc welding

International Nuclear Information System (INIS)

Cao Biao; Xiang Yuanpeng; Lü Xiaoqing; Zeng Min; Huang Shisheng

2008-01-01

Based on the phase state reconstruction of welding current in short-circuiting gas metal arc welding using carbon dioxide as shielding gas, the approximate entropy of welding current as well as its standard deviation has been calculated and analysed to investigate their relation with the stability of electric arc and welding process. The extensive experimental and calculated results show that the approximate entropy of welding current is significantly and positively correlated with arc and welding process stability, whereas its standard deviation is correlated with them negatively. A larger approximate entropy and a smaller standard deviation imply a more stable arc and welding process, and vice versa. As a result, the approximate entropy of welding current promises well in assessing and quantifying the stability of electric arc and welding process in short-circuiting gas metal arc welding

Axial compressor gas path design for desensitization of aerodynamic performance and stability to tip clearance

Science.gov (United States)

Cevik, Mert

Tip clearance is the necessary small gap left between the moving rotor tip and stationary shroud of a turbomachine. In a compressor, the pressure driven flow through this gap, called tip clearance flow, has a major and generally detrimental impact on compressor performance (pressure ratio and efficiency) and aerodynamic stability (stall margin). The increase in tip clearance, either temporary during transient engine operations or permanent from wear, leads to a drop in compressor performance and aerodynamic stability which results in a fuel consumption increase and a reduced operating envelope for a gas turbine engine. While much research has looked into increasing compressor performance and stall margin at the design (minimum or nominal) tip clearance, very little attention has been paid for reducing the sensitivity of these parameters to tip clearance size increase. The development of technologies that address this issue will lead to aircraft engines whose performance and operating envelope are more robust to operational demands and wear. The current research is the second phase of a research programme to develop design strategies to reduce the sensitivity of axial compressor performance and aerodynamic stability to tip clearance. The first phase had focused on blade design strategies and had led to the discovery and explanation of two flow features that reduces tip sensitivity, namely increased incoming meridional momentum in the rotor tip region and reduction/elimination of double leakage. Double leakage is the flow that exits one tip clearance and enters the tip clearance of the adjacent blade instead of convecting downstream out of the rotor passage. This flow was shown to be very detrimental to compressor performance and stall margin. Two rotor design strategies involving sweep and tip stagger reduction were proposed and shown by CFD simulations to exploit these features to reduce sensitivity. As the second phase, the objectives of the current research

Multiple Multidentate Halogen Bonding in Solution, in the Solid State, and in the (Calculated) Gas Phase.

Science.gov (United States)

Jungbauer, Stefan H; Schindler, Severin; Herdtweck, Eberhardt; Keller, Sandro; Huber, Stefan M

2015-09-21

The binding properties of neutral halogen-bond donors (XB donors) bearing two multidentate Lewis acidic motifs toward halides were investigated. Employing polyfluorinated and polyiodinated terphenyl and quaterphenyl derivatives as anion receptors, we obtained X-ray crystallographic data of the adducts of three structurally related XB donors with tetraalkylammonium chloride, bromide, and iodide. The stability of these XB complexes in solution was determined by isothermal titration calorimetry (ITC), and the results were compared to X-ray analyses as well as to calculated binding patterns in the gas phase. Density functional theory (DFT) calculations on the gas-phase complexes indicated that the experimentally observed distortion of the XB donors during multiple multidentate binding can be reproduced in 1:1 complexes with halides, whereas adducts with two halides show a symmetric binding pattern in the gas phase that is markedly different from the solid state structures. Overall, this study demonstrates the limitations in the transferability of binding data between solid state, solution, and gas phase in the study of complex multidentate XB donors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Self-Stabilizing Measurement of Phase

Science.gov (United States)

Vinjanampathy, Sai

2014-05-01

Measuring phase accurately constitutes one of the most important task in precision measurement science. Such measurements can be deployed to measure everything from fundamental constants to measuring detuning and tunneling rates of atoms more precisely. Quantum mechanics enhances the ultimate bounds on the precision of such measurements possible, and exploit coherence and entanglement to reduce the phase uncertainty. In this work, we will describe a method to stabilize a decohering two-level atom and use the stabilizing measurements to learn the unknown phase acquired by the atom. Such measurements will employ a Bayesian learner to do active feedback control on the atom. We will discuss some ultimate bounds employed in precision metrology and an experimental proposal for the implementation of this scheme. Financial support from Ministry of Education, Singapore.

Stabilizing Gas Bearings In Free-Piston Machines

Science.gov (United States)

Dhar, Manmohan

1995-01-01

Gas bearings and clearance seals between pistons and cylinders in free-piston machines designed to reduce undesired dynamic forces and torques on pistons, gas bearings, and cylinders. Circumferential grooves and drain galleries added to piston or cylinder in improved design. Provides stabilization without significant reduction in length of seal, or significant increase in leakage and consequent reduction of efficiency.

ICR studies of some anionic gas phase reactions and FTICR software design

International Nuclear Information System (INIS)

Noest, A.J.

1983-01-01

This thesis consists of two parts. Part one (Chs. 1-5) reports experimental results from mostly drift-cell ICR studies of negative ion-molecule reactions; part two (Chs. 6-11) concerns the design of software for an FTICR instrument. The author discusses successively: 1. ion cyclotron resonance spectrometry; 2. the gas phase allyl anion; 3. the (M-H) and (M-H2) anions from acetone; 4. negative ion-molecule reactions of aliphatic nitrites studied by cyclotron resonance; 5. homoconjugation versus charge-dipole interaction effects in the stabilization of carbanions in the gas phase; 6. the Fourier Transform ICR method; 7. the FTICR-software; 8. an efficient adaptive matcher filter for fast transient signals; 9. reduction of spectral peak height errors by time-domain weighing; 10. Chirp excitation; 11. Compact data storage. The book concludes with a Dutch and English summary (G.J.P.)

Stabilization of electrohydrodynamic jets by gas discharges and applications to printing

Science.gov (United States)

Korkut, Sibel

From integrated circuits to DNA hybridization micro arrays, many areas of research require flexible and reliable, high resolution surface patterning tools. A new surface patterning technique, electrohydrodynamic printing (EHDP) [1] provides high resolution and speed at the same time, which was not attainable with the existing direct surface patterning techniques. Stability of electrohydrodynamic (EHD) jets determines the accuracy of deployment in EHD printing [1-3]; therefore, understanding non-axisymmetric instability of the jet, which is caused by the surface charges, is crucial to successful operation. In this thesis, fast imaging and image analysis techniques are used to determine non-axisymmetric disturbance growth rates experimentally. Comparison of experimental instability growth rates with the theoretical estimations based on total current reveals a big discrepancy. It is also found that instability growth rates decrease and stability of EHD filaments is enhanced either by decreasing the electrode separation or by changing the surrounding gas. After considering all possible mechanisms, it is concluded that the main reason for stabilization is the increased ionization of the surrounding gas. Gas ionization results in partial neutralization of surface charges on the filament by the oppositely charged ions in the gas phase and stabilizes the jet. A new current balance including the charge transfer through the gas is developed to estimate the charge density left on the filament. Experimental and theoretical instability growth rates agree much better when the estimated charge density is used for the instability growth rate calculations. The second part of the thesis focuses on pattern formation on the surfaces. The final pattern produced with a colloidal suspension by EHDP depends on not only the stability of the jet but also the dynamics of the suspension and the stability of printed lines after the deployment. Rivulet instability, which causes deployed

Numerical modeling of turbulent evaporating gas-droplet two-phase flows in an afterburner diffusor of turbo-fan jet engines

Energy Technology Data Exchange (ETDEWEB)

Zhou, Lixing; Zhang, Jian [Qinghua Univ., Beijing (China)

1990-11-01

Two-dimensional turbulent evaporating gas-droplet two-phase flows in an afterburner diffusor of turbofan jet engines are simulated here by a k-epsilon turbulence model and a particle trajectory model. Comparison of predicted gas velocity and temperature distributions with experimental results for the cases without liquid spray shows good agreement. Gas-droplet two-phase flow predictions give plausible droplet trajectories, fuel-vapor concentration distribution, gas-phase velocity and temperature field in the presence of liquid droplets. One run of computation with this method is made for a particular afterburner. The results indicate that the location of the atomizers is not favorable to flame stabilization and combustion efficiency. The proposed numerical modeling can also be adopted for optimization design and performance evaluation of afterburner combustors of turbofan jet engines. 7 refs.

Stabilization of gas turbine unit power

Science.gov (United States)

Dolotovskii, I.; Larin, E.

2017-11-01

We propose a new cycle air preparation unit which helps increasing energy power of gas turbine units (GTU) operating as a part of combined cycle gas turbine (CCGT) units of thermal power stations and energy and water supply systems of industrial enterprises as well as reducing power loss of gas turbine engines of process blowers resulting from variable ambient air temperatures. Installation of GTU power stabilizer at CCGT unit with electric and thermal power of 192 and 163 MW, respectively, has resulted in reduction of produced electrical energy production costs by 2.4% and thermal energy production costs by 1.6% while capital expenditures after installation of this equipment increased insignificantly.

Stability and special solutions to the conducting dusty gas model

International Nuclear Information System (INIS)

Calmelet, C.J.

1987-01-01

Models of the flow of a dusty, conducting and non-conducting gas are examined. Exact solutions for a conducting dusty gas model in the presence of a magnetic field are developed for two different flow domains. The exact solutions are calculated in the cases of negligible and non-negligible induced magnetic field. Stability theorems are developed which depend on the flow parameters of the dusty gas and the magnetic field. In particular, a universal stability theorem is obtained when the dusty gas flow is electrically conducting in the presence of an applied magnetic field, and the dust particles are non-uniformly distributed

Studies of matrix diffusion in gas phase

International Nuclear Information System (INIS)

Hartikainen, K.; Timonen, J.; Vaeaetaeinen, K.; Pietarila, H.

1994-03-01

The diffusion of solutes from fractures into rock matrix is an important factor in the safety analysis of disposal of radioactive waste. Laboratory measurements are needed to complement field investigations for a reliable determination of the necessary transport parameters. Measurements of diffusion coefficients in tight rock samples are usually time consuming because the diffusion processes are slow. On the other hand it is well known that diffusion coefficients in the gas phase are roughly four orders of magnitude larger than those in the liquid phase. Therefore, for samples whose structures do not change much upon drying, it is possible to estimate the diffusion properties of the liquid phase when the properties of the gas phase are known. Advantages of the gas method are quick and easy measurements. In the measurements nitrogen was used as the carrier gas and helium as the tracer gas, and standard techniques have been used for helium detection. Techniques have been developed for both channel flow and through-diffusion measurements. The breakthrough curves have been measured in every experiment and all measurements have been modelled by using appropriate analytical models. As a result matrix porosities and effective diffusion coefficients in the gas phase have been determined. (12 refs., 21 figs., 6 tabs.)

Computational phase diagrams of noble gas hydrates under pressure

Energy Technology Data Exchange (ETDEWEB)

Teeratchanan, Pattanasak, E-mail: s1270872@sms.ed.ac.uk; Hermann, Andreas, E-mail: a.hermann@ed.ac.uk [Centre for Science at Extreme Conditions and SUPA, School of Physics and Astronomy, The University of Edinburgh, Edinburgh EH9 3FD (United Kingdom)

2015-10-21

We present results from a first-principles study on the stability of noble gas-water compounds in the pressure range 0-100 kbar. Filled-ice structures based on the host water networks ice-I{sub h}, ice-I{sub c}, ice-II, and C{sub 0} interacting with guest species He, Ne, and Ar are investigated, using density functional theory (DFT) with four different exchange-correlation functionals that include dispersion effects to various degrees: the non-local density-based optPBE-van der Waals (vdW) and rPW86-vdW2 functionals, the semi-empirical D2 atom pair correction, and the semi-local PBE functional. In the He-water system, the sequence of stable phases closely matches that seen in the hydrogen hydrates, a guest species of comparable size. In the Ne-water system, we predict a novel hydrate structure based on the C{sub 0} water network to be stable or at least competitive at relatively low pressure. In the Ar-water system, as expected, no filled-ice phases are stable; however, a partially occupied Ar-C{sub 0} hydrate structure is metastable with respect to the constituents. The ability of the different DFT functionals to describe the weak host-guest interactions is analysed and compared to coupled cluster results on gas phase systems.

Conformational Study of Taurine in the Gas Phase

Science.gov (United States)

Cortijo, Vanessa; Sanz, M. Eugenia; López, Juan C.; Alonso, José L.

2009-08-01

The conformational preferences of the amino sulfonic acid taurine (NH2-CH2-CH2-SO3H) have been investigated in the gas phase by laser ablation molecular beam Fourier transform microwave spectroscopy (LA-MB-FTMW) in the 6-14 GHz frequency range. One conformer has been observed, and its rotational, centrifugal distortion, and hyperfine quadrupole coupling constants have been determined from the analysis of its rotational spectrum. Comparison of the experimental constants with those calculated theoretically identifies the detected conformer unambiguously. The observed conformer of taurine is stabilized by an intramolecular hydrogen bond O-H···N between the hydrogen of the sulfonic acid group and the nitrogen atom of the amino group.

Linear stability analysis of the gas injection augmented natural circulation of STAR-LM

International Nuclear Information System (INIS)

Yeon-Jong Yoo; Qiao Wu; James J Sienicki

2005-01-01

Full text of publication follows: A linear stability analysis has been performed for the gas injection augmented natural circulation of the Secure Transportable Autonomous Reactor - Liquid Metal (STAR-LM). Natural circulation is of great interest for the development of Generation-IV nuclear energy systems due to its vital role in the area of passive safety and reliability. One of such systems is STAR-LM under development by Argonne National Laboratory. STAR-LM is a 400 MWt class modular, proliferation-resistant, and passively safe liquid metal-cooled fast reactor system that uses inert lead (Pb) coolant and the advanced power conversion system that consists of a gas turbine Brayton cycle utilizing supercritical carbon dioxide (CO 2 ) to obtain higher plant efficiency. The primary loop of STAR-LM relies only on the natural circulation to eliminate the use of circulation pumps for passive safety consideration. To enhance the natural circulation of the primary coolant, STAR-LM optionally incorporates the additional driving force provided by the injection of noncondensable gas into the primary coolant above the reactor core, which is effective in removing heat from the core and transferring it to the secondary working fluid without the attainment of excessive coolant temperature at nominal operating power. Therefore, it naturally raises the concern about the natural circulation instability due to the relatively high temperature change in the core and the two-phase flow condition in the hot leg above the core. For the ease of analysis, the flow path of the loop was partitioned into five thermal-hydraulically distinct sections, i.e., heated core, unheated core, hot leg, heat exchanger, and cold leg. The one-dimensional single-phase flow field equations governing the natural circulation, i.e., continuity, momentum, and energy equations, were used for each section except the hot leg. For the hot leg, the one-dimensional homogeneous equilibrium two-phase flow field

Gas-Phase Thermolyses

DEFF Research Database (Denmark)

Carlsen, Lars; Egsgaard, Helge

1982-01-01

The unimolecular gas-phase thermolyses of the four methyl and ethyl monothioacetates (5)–(8) have been studied by the flash vacuum thermolysis–field ionization mass spectrometry technique in the temperature range 883–1 404 K. The types of reactions verified were keten formation, thiono–thiolo rea...

Investigation of phase stability in the scandia-zirconia

International Nuclear Information System (INIS)

Grosso, Robson Lopes

2016-01-01

In this work, the phase stability of scandia-zirconia (ScSZ) system was investigated by the thermodynamic study of nanoparticles, within the range of 0 to 20 mol% Sc 2 O 3 , and by codoping of ZrO 2 -10 mol% Sc 2 O 3 (10ScSZ) with Dy 2 O 3 and Nb 2 O 5 . The phase stability of ScSZ was evaluated based on thermodynamic data collected by water adsorption microcalorimetry and high temperature oxide melt solution. Nanostructured zirconia-scandia solid solutions were synthesized by coprecipitation method. Thermodynamic data were determined for ScSZ polymorph (monoclinic, tetragonal, cubic, rhombohedral β and γ) found by X-ray diffraction. This systemic work resulted in an unprecedented phase diagram at the nanoscale of particle size-composition. The effects of additives on 10ScSZ were investigated aiming to stabilize the cubic (c) structure at room temperature and to suppress the characteristic cubic-rhombohedral β phase transformation. Compositions were prepared by coprecipitation and solid state reaction. Materials were sintered by conventional and spark plasma sintering. Full stabilization of the cubic phase was attained by 1 mol% Dy 2 O 3 and 0.5 mol% Nb 2 O 5 additions. The smallest Nb 2 O 5 content required for cubic phase stabilization was attributed to liquid phase formation during sintering and to small ionic radius of Nb 5+ . Results of high temperature X-ray diffraction and thermal analysis show suppression of the c-β transformation. Samples containing 0.5 mol% Nb 2 O 5 show total ionic conductivity similar to 10ScSZ without additives within a broad temperature range with high stability during 170 h at 600 °C. (author)

Stability of carbon-bearing phases in coal on the passage of weak electric current

International Nuclear Information System (INIS)

Pivnyak, G.G.; Sobolev, V.V.; Baskevich, A.S.

2012-01-01

According to data of the electron paramagnetic resonance, infrared spectroscopy, X-ray analysis, and other methods, mobile radicals and gas have formed in coal on the passage of weak electric current. The quantum-mechanical estimation of the stability of coal organic mass components under the action of weak electric current is offered. It is established that the hydrocarbon and carbon chains are the most probable phase which is destroyed the first.

FORTRAN program for calculating liquid-phase and gas-phase thermal diffusion column coefficients

International Nuclear Information System (INIS)

Rutherford, W.M.

1980-01-01

A computer program (COLCO) was developed for calculating thermal diffusion column coefficients from theory. The program, which is written in FORTRAN IV, can be used for both liquid-phase and gas-phase thermal diffusion columns. Column coefficients for the gas phase can be based on gas properties calculated from kinetic theory using tables of omega integrals or on tables of compiled physical properties as functions of temperature. Column coefficients for the liquid phase can be based on compiled physical property tables. Program listings, test data, sample output, and users manual are supplied for appendices

Gas flow headspace liquid phase microextraction.

Science.gov (United States)

Yang, Cui; Qiu, Jinxue; Ren, Chunyan; Piao, Xiangfan; Li, Xifeng; Wu, Xue; Li, Donghao

2009-11-06

There is a trend towards the use of enrichment techniques such as microextraction in the analysis of trace chemicals. Based on the theory of ideal gases, theory of gas chromatography and the original headspace liquid phase microextraction (HS-LPME) technique, a simple gas flow headspace liquid phase microextraction (GF-HS-LPME) technique has been developed, where the extracting gas phase volume is increased using a gas flow. The system is an open system, where an inert gas containing the target compounds flows continuously through a special gas outlet channel (D=1.8mm), and the target compounds are trapped on a solvent microdrop (2.4 microL) hanging on the microsyringe tip, as a result, a high enrichment factor is obtained. The parameters affecting the enrichment factor, such as the gas flow rate, the position of the microdrop, the diameter of the gas outlet channel, the temperatures of the extracting solvent and of the sample, and the extraction time, were systematically optimized for four types of polycyclic aromatic hydrocarbons. The results were compared with results obtained from HS-LPME. Under the optimized conditions (where the extraction time and the volume of the extracting sample vial were fixed at 20min and 10mL, respectively), detection limits (S/N=3) were approximately a factor of 4 lower than those for the original HS-LPME technique. The method was validated by comparison of the GF-HS-LPME and HS-LPME techniques using data for PAHs from environmental sediment samples.

Solid phase stability of molybdenum under compression: Sound velocity measurements and first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiulu [Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, P.O. Box 919-102, 621900 Mianyang, Sichuan (China); Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology, 621010 Mianyang, Sichuan (China); Liu, Zhongli [Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, P.O. Box 919-102, 621900 Mianyang, Sichuan (China); College of Physics and Electric Information, Luoyang Normal University, 471022 Luoyang, Henan (China); Jin, Ke; Xi, Feng; Yu, Yuying; Tan, Ye; Dai, Chengda; Cai, Lingcang [Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, P.O. Box 919-102, 621900 Mianyang, Sichuan (China)

2015-02-07

The high-pressure solid phase stability of molybdenum (Mo) has been the center of a long-standing controversy on its high-pressure melting. In this work, experimental and theoretical researches have been conducted to check its solid phase stability under compression. First, we performed sound velocity measurements from 38 to 160 GPa using the two-stage light gas gun and explosive loading in backward- and forward-impact geometries, along with the high-precision velocity interferometry. From the sound velocities, we found no solid-solid phase transition in Mo before shock melting, which does not support the previous solid-solid phase transition conclusion inferred from the sharp drops of the longitudinal sound velocity [Hixson et al., Phys. Rev. Lett. 62, 637 (1989)]. Then, we searched its structures globally using the multi-algorithm collaborative crystal structure prediction technique combined with the density functional theory. By comparing the enthalpies of body centered cubic structure with those of the metastable structures, we found that bcc is the most stable structure in the range of 0–300 GPa. The present theoretical results together with previous ones greatly support our experimental conclusions.

Gas-Phase Thermolyses

DEFF Research Database (Denmark)

Carlsen, Lars; Egsgaard, Helge

1982-01-01

The unimolecular gas-phase thermolyses of 1,2,3-oxadithiolan 2-oxide and thiiran 1-oxide have been studied by the flash vacuum thermolysis–field ionization mass spectrometry (f.v.t.–f.i.m.s.) technique in the temperature range from 1 043 to 1 404 K. The reactions are rationalized in terms of sulp...

Application of Arma Technique For Operation Stability of RSG-Gas

International Nuclear Information System (INIS)

Djudjuratisbela, Udju

2000-01-01

Application Of Arma Technique For Operation Stability Of RSG-Gas. Application of Fast Fourier Transport (FFT) method in the noise experiments data had been conducted to reactor kinetic parameter determination of RSG-Gas. Reactor stability that has closed relation to operation safety has not been measured yet. Noise analysis method and ARMA (Auto Regressive Moving Average) technique that has capability to identify mathematical model of the noise experimental data can be used for determination of kinetic/dynamic characteristic equation and its roots. From the roots of reactor characteristic equation, magnitude of natural frequency (fn), damping ratio (xi), damping frequency (fd), decay ratio (delta) and then reactor stability can be calculated

Noncovalent Halogen Bonding as a Mechanism for Gas-Phase Clustering

DEFF Research Database (Denmark)

Wegeberg, Christina; Donald, William A.; McKenzie, Christine

2017-01-01

in the crystalline phases of PhIO2 and its derivatives serve as models for the structures of larger gas-phase clusters, and calculations on simple model gas-phase dimer and trimer clusters result in similar motifs. This is the first account of halogen bonding playing an extensive role in gas-phase associations....

Thermal stability and phase transformation in fully indium oxide (InO{sub 1.5}) stabilized zirconia

Energy Technology Data Exchange (ETDEWEB)

Piva, R.H., E-mail: honorato.piva@ua.pt; Piva, D.H.; Morelli, M.R.

2017-01-15

Indium oxide (InO{sub 1.5}) stabilized zirconia (InSZ) is an attractive material as electrolyte, or electrode, in solid oxide fuel cells (SOFCs), and as corrosion resistant top coat in thermal barrier coatings. However, little is known about the phase stability of cubic InSZ at temperatures that simulate the conditions in an operating SOFC or turbine. This article provides an investigation of the phase stability and phase transformations in cubic InSZ after heat treatments at 800, 1000, and 1200 °C for periods up to 2000 h. The results revealed that cubic InSZ is not stable during annealing at 1000 and 1200 °C, owing to a fast destabilization of the initial cubic phase to tetragonal, and eventually to monoclinic (c → t → m). The c → t → m transition in InSZ is intimately associated with the indium volatilization. On the other hand, cubic InSZ remained stable for 2000 h at 800 °C, although the partial formation of the tetragonal phase was observed along with a 0.25% contraction in the unit cell volume of the cubic phase, caused by short-range ordering. These results demonstrate that technological applications of cubic InSZ are restricted to temperatures at which the volatilization of the InO{sub 1.5} stabilizer does not occur. - Highlights: •Phase stability of fully InO{sub 1.5} stabilized zirconia (cubic InSZ) was evaluated. •Cubic InSZ is instable at temperatures ≥ 1000 °C, owing to the cubic-to-tetragonal-to-monoclinic destabilization. •Cubic InSZ undergoes the cubic-to-tetragonal transformation at ~ 800 °C. •Owing to the low phase stability, applications of cubic InSZ in TBCs or SOFCs are restricted.

Gas-Phase Thermal Tautomerization of Imidazole-Acetic Acid: Theoretical and Computational Investigations

Directory of Open Access Journals (Sweden)

Saadullah G. Aziz

2015-11-01

Full Text Available The gas-phase thermal tautomerization reaction between imidazole-4-acetic (I and imidazole-5-acetic (II acids was monitored using the traditional hybrid functional (B3LYP and the long-range corrected functionals (CAM-B3LYP and ωB97XD with 6-311++G** and aug-cc-pvdz basis sets. The roles of the long-range and dispersion corrections on their geometrical parameters, thermodynamic functions, kinetics, dipole moments, Highest Occupied Molecular Orbital–Lowest Unoccupied Molecular Orbital (HOMO–LUMO energy gaps and total hyperpolarizability were investigated. All tested levels of theory predicted the preference of I over II by 0.750–0.877 kcal/mol. The origin of predilection of I is assigned to the H-bonding interaction (nN8→σ*O14–H15. This interaction stabilized I by 15.07 kcal/mol. The gas-phase interconversion between the two tautomers assumed a 1,2-proton shift mechanism, with two transition states (TS, TS1 and TS2, having energy barriers of 47.67–49.92 and 49.55–52.69 kcal/mol, respectively, and an sp3-type intermediate. A water-assisted 1,3-proton shift route brought the barrier height down to less than 20 kcal/mol in gas-phase and less than 12 kcal/mol in solution. The relatively high values of total hyperpolarizability of I compared to II were interpreted and discussed.

Sumoylation Promotes the Stability of the DNA Sensor cGAS and the Adaptor STING to Regulate the Kinetics of Response to DNA Virus.

Science.gov (United States)

Hu, Ming-Ming; Yang, Qing; Xie, Xue-Qin; Liao, Chen-Yang; Lin, Heng; Liu, Tian-Tian; Yin, Lei; Shu, Hong-Bing

2016-09-20

During viral infection, sensing of cytosolic DNA by the cyclic GMP-AMP synthase (cGAS) activates the adaptor protein STING and triggers an antiviral response. Little is known about the mechanisms that determine the kinetics of activation and deactivation of the cGAS-STING pathway, ensuring effective but controlled innate antiviral responses. Here we found that the ubiquitin ligase Trim38 targets cGas for sumoylation in uninfected cells and during the early phase of viral infection. Sumoylation of cGas prevented its polyubiquitination and degradation. Trim38 also sumoylated Sting during the early phase of viral infection, promoting both Sting activation and protein stability. In the late phase of infection, cGas and Sting were desumoylated by Senp2 and subsequently degraded via proteasomal and chaperone-mediated autophagy pathways, respectively. Our findings reveal an essential role for Trim38 in the innate immune response to DNA virus and provide insight into the mechanisms that ensure optimal activation and deactivation of the cGAS-STING pathway. Copyright © 2016 Elsevier Inc. All rights reserved.

Gas-phase photocatalysis in μ-reactors

DEFF Research Database (Denmark)

Vesborg, Peter Christian Kjærgaard; Olsen, Jakob Lind; Henriksen, Toke Riishøj

2010-01-01

Gas-phase photocatalysis experiments may benefit from the high sensitivity and good time response in product detection offered by μ-reactors. We demonstrate this by carrying out CO oxidation and methanol oxidation over commercial TiO2 photocatalysts in our recently developed high-sensitivity reac......Gas-phase photocatalysis experiments may benefit from the high sensitivity and good time response in product detection offered by μ-reactors. We demonstrate this by carrying out CO oxidation and methanol oxidation over commercial TiO2 photocatalysts in our recently developed high...

Modeling the Phase Composition of Gas Condensate in Pipelines

Science.gov (United States)

Dudin, S. M.; Zemenkov, Yu D.; Shabarov, A. B.

2016-10-01

Gas condensate fields demonstrate a number of thermodynamic characteristics to be considered when they are developed, as well as when gas condensate is transported and processed. A complicated phase behavior of the gas condensate system, as well as the dependence of the extracted raw materials on the phase state of the deposit other conditions being equal, is a key aspect. Therefore, when designing gas condensate lines the crucial task is to select the most appropriate methods of calculating thermophysical properties and phase equilibrium of the transported gas condensate. The paper describes a physical-mathematical model of a gas-liquid flow in the gas condensate line. It was developed based on balance equations of conservation of mass, impulse and energy of the transported medium within the framework of a quasi-1D approach. Constitutive relationships are given separately, and practical recommendations on how to apply the research results are provided as well.

Phase Stability Diagrams for High Temperature Corrosion Processes

Directory of Open Access Journals (Sweden)

J. J. Ramos-Hernandez

2013-01-01

Full Text Available Corrosion phenomena of metals by fused salts depend on chemical composition of the melt and environmental conditions of the system. Detail knowledge of chemistry and thermodynamic of aggressive species formed during the corrosion process is essential for a better understanding of materials degradation exposed to high temperature. When there is a lack of kinetic data for the corrosion processes, an alternative to understand the thermodynamic behavior of chemical species is to utilize phase stability diagrams. Nowadays, there are several specialized software programs to calculate phase stability diagrams. These programs are based on thermodynamics of chemical reactions. Using a thermodynamic data base allows the calculation of different types of phase diagrams. However, sometimes it is difficult to have access to such data bases. In this work, an alternative way to calculate phase stability diagrams is presented. The work is exemplified in the Na-V-S-O and Al-Na-V-S-O systems. This system was chosen because vanadium salts is one of the more aggressive system for all engineering alloys, especially in those processes where fossil fuels are used.

The nuclear liquid gas phase transition and phase coexistence

International Nuclear Information System (INIS)

Chomaz, Ph.

2001-01-01

In this talk we will review the different signals of liquid gas phase transition in nuclei. From the theoretical side we will first discuss the foundations of the concept of equilibrium, phase transition and critical behaviors in infinite and finite systems. From the experimental point of view we will first recall the evidences for some strong modification of the behavior of hot nuclei. Then we will review quantitative detailed analysis aiming to evidence phase transition, to define its order and phase diagram. Finally, we will present a critical discussion of the present status of phase transitions in nuclei and we will draw some lines for future development of this field. (author)

The nuclear liquid gas phase transition and phase coexistence

Energy Technology Data Exchange (ETDEWEB)

Chomaz, Ph

2001-07-01

In this talk we will review the different signals of liquid gas phase transition in nuclei. From the theoretical side we will first discuss the foundations of the concept of equilibrium, phase transition and critical behaviors in infinite and finite systems. From the experimental point of view we will first recall the evidences for some strong modification of the behavior of hot nuclei. Then we will review quantitative detailed analysis aiming to evidence phase transition, to define its order and phase diagram. Finally, we will present a critical discussion of the present status of phase transitions in nuclei and we will draw some lines for future development of this field. (author)

A magnetic nanoparticle stabilized gas containing emulsion for multimodal imaging and triggered drug release.

Science.gov (United States)

Guo, Wei; Li, Diancheng; Zhu, Jia-an; Wei, Xiaohui; Men, Weiwei; Yin, Dazhi; Fan, Mingxia; Xu, Yuhong

2014-06-01

To develop a multimodal imaging guided and triggered drug delivery system based on a novel emulsion formulation composed of iron oxide nanoparticles, nanoscopic bubbles, and oil containing drugs. Iron oxide paramagnetic nanoparticles were synthesized and modified with surface conjugation of polyethylenimide (PEI) or Bovine Serum Albumin (BSA). Both particles were used to disperse and stabilize oil in water emulsions containing coumarin-6 as the model drug. Sulfur hexafluoride was introduced into the oil phase to form nanoscopic bubbles inside the emulsions. The resulted gas containing emulsions were evaluated for their magnetic resonance (MR) and ultrasound (US) imaging properties. The drug release profile triggered by ultrasound was also examined. We have successfully prepared the highly integrated multi-component emulsion system using the surface modified iron oxide nanoparticles to stabilize the interfaces. The resulted structure had distinctive MR and US imaging properties. Upon application of ultrasound waves, the gas containing emulsion would burst and encapsulated drug could be released. The integrated emulsion formulation was multifunctional with paramagnetic, sono-responsive and drug-carrying characteristics, which may have potential applications for disease diagnosis and imaging guided drug release.

Stability Study of the RERTR Fuel Microstructure

Energy Technology Data Exchange (ETDEWEB)

Jian Gan; Dennis Keiser; Brandon Miller; Daniel Wachs

2014-04-01

The irradiation stability of the interaction phases at the interface of fuel and Al alloy matrix as well as the stability of the fission gas bubble superlattice is believed to be very important to the U-Mo fuel performance. In this paper the recent result from TEM characterization of Kr ion irradiated U-10Mo-5Zr alloy will be discussed. The focus will be on the phase stability of Mo2-Zr, a dominated second phase developed at the interface of U-10Mo and the Zr barrier in a monolithic fuel plate from fuel fabrication. The Kr ion irradiations were conducted at a temperature of 200 degrees C to an ion fluence of 2.0E+16 ions/cm2. To investigate the thermal stability of the fission gas bubble superlattice, a key microstructural feature in both irradiated dispersion U-7Mo fuel and monolithic U-10Mo fuel, a FIB-TEM sample of the irradiated U-10Mo fuel (3.53E+21 fission/cm3) was used for a TEM in-situ heating experiment. The preliminary result showed extraordinary thermal stability of the fission gas bubble superlattice. The implication of the TEM observation from these two experiments on the fuel microstructural evolution under irradiation will be discussed.

Relativistic stability of interacting Fermi gas in a strong magnetic field

International Nuclear Information System (INIS)

Wang Lilin; Tian Jincheng; Men Fudian; Zhang Yipeng

2013-01-01

By means of the single particle energy spectrum of weak interaction between fermions and Poisson formula, the thermodynamic potential function of relativistic Fermi gas in a strong magnetic field is derived. Based on this, we obtained the criterion of stability for the system. The results show that the mechanics stability of a Fermi gas with weak interacting is influenced by the interacting. While the magnetic field is able to regulate the influence and the relativistic effect has almost no effect on it. (authors)

Magnetically induced crystal structure and phase stability in Fe1-cCoc

DEFF Research Database (Denmark)

Abrikosov, I.A.; James, P.; Eriksson, O.

1996-01-01

We present an ab initio determination of the crystallographic phase stability of Fe-Co alloys as a function of concentration, using the coherent potential approximation. A bcc --> hcp phase transition is found at a concentration of 85 at.% of Co, in good agreement with the experimental phase...... diagram. We demonstrate that for the Pe-rich random alloys magnetism-stabilizes the bce phase relative to the close-packed fee and hcp phases. Magnetism also favors the partially ordered alpha' phase relative to the random bce alloy. This unique relation between magnetism and phase stability for the Fe...

Effect of electrostatic interactions on phase stability of cubic phases of biomembranes.

Science.gov (United States)

Li, Shu Jie; Masum, Shah Md; Yamashita, Yuko; Tamba, Yukihiro; Yamazaki, Masahito

2002-06-01

We investigated effect of electrostatic interactions due to surfacecharges on structures and stability of cubic phases of monoolein (MO)membrane using the small-angle X-ray scattering method. Firstly, wechanged the surface charge density of the membrane by usingdioleoylphosphatidic acid (DOPA). As increasing DOPA concentration in themembrane at 30 wt % lipid concentration, a Q(224) to Q(229) phasetransition occurred at 0.6 mol % DOPA, and at and above 25 mol %, DOPA/MOmembranes were in the L(α) phase. NaCl in the bulk phase reduced theeffect of DOPA. These results indicate that as the electrostaticinteractions increase, the most stable phase changes as follows: Q(224)⇒ Q(229) ⇒ L(α). The increase in DOPAconcentration reduced the absolute value of spontaneous curvature of themembrane, | H(0) |. Secondly, we changed the surface charge of themembrane by adding a de novo designed peptide, which has netpositive charges and a binding site on the electrically neutral membraneinterface. The peptide-1 (WLFLLKKK) induced a Q(224) to Q(229)phase transition in the MO membrane at low peptide concentration. As NaClconcentration increases, the MO/peptide-1 membrane changed from Q(229)to Q(224) phase. The increase in peptide-1 concentration reduced |H(0) |. Based on these results, the stability of the cubic phases and themechanism of phase transition between cubic phase and L(α) phase arediscussed.

Theory and modelling of nanocarbon phase stability.

Energy Technology Data Exchange (ETDEWEB)

Barnard, A. S.

2006-01-01

The transformation of nanodiamonds into carbon-onions (and vice versa) has been observed experimentally and has been modeled computationally at various levels of sophistication. Also, several analytical theories have been derived to describe the size, temperature and pressure dependence of this phase transition. However, in most cases a pure carbon-onion or nanodiamond is not the final product. More often than not an intermediary is formed, known as a bucky-diamond, with a diamond-like core encased in an onion-like shell. This has prompted a number of studies investigating the relative stability of nanodiamonds, bucky-diamonds, carbon-onions and fullerenes, in various size regimes. Presented here is a review outlining results of numerous theoretical studies examining the phase diagrams and phase stability of carbon nanoparticles, to clarify the complicated relationship between fullerenic and diamond structures at the nanoscale.

Void fraction fluctuations in two-phase gas-liquid flow

International Nuclear Information System (INIS)

Ulbrich, R.

1987-01-01

Designs of the apparatus in which two-phase gas-liquid flow occurs are usually based on the mean value of parameters such as pressure drop and void fraction. The flow of two-phase mixtures generally presents a very complicated flow structure, both in terms of the unsteady formation on the interfacial area and in terms of the fluctuations of the velocity, pressure and other variables within the flow. When the gas void fraction is near 0 or 1 / bubble or dispersed flow regimes / then oscillations of void fraction are very small. The intermittent flow such as plug and slug/ froth is characterized by alternately flow portions of liquid and gas. It influences the change of void fractions in time. The results of experimental research of gas void fraction fluctuations in two-phase adiabatic gas-liquid flow in a vertical pipe are presented

Phase stability and decomposition processes in Ti-Al based intermetallics

Energy Technology Data Exchange (ETDEWEB)

Nakai, Kiyomichi [Department of Materials Science and Engineering, Faculty of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama 790 (Japan); Ono, Toshiaki [Department of Materials Science and Engineering, Faculty of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama 790 (Japan); Ohtsubo, Hiroyuki [Department of Materials Science and Engineering, Faculty of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama 790 (Japan); Ohmori, Yasuya [Department of Materials Science and Engineering, Faculty of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama 790 (Japan)

1995-02-28

The high-temperature phase equilibria and the phase decomposition of {alpha} and {beta} phases were studied by crystallographic analysis of the solidification microstructures of Ti-48at.%Al and Ti-48at.%Al-2at.%X (X=Mn, Cr, Mo) alloys. The effects on the phase stability of Zr and O atoms penetrating from the specimen surface were also examined for Ti-48at.%Al and Ti-50at.%Al alloys. The third elements Cr and Mo shift the {beta} phase region to higher Al concentrations, and the {beta} phase is ordered to the {beta}{sub 2} phase. The Zr and O atoms stabilize {beta} and {alpha} phases respectively. In the Zr-stabilized {beta} phase, {alpha}{sub 2} laths form with accompanying surface relief, and stacking faults which relax the elastic strain owing to lattice deformation are introduced after formation of {alpha}{sub 2} order domains. Thus shear is thought to operate after the phase transition from {beta} to {alpha}{sub 2} by short-range diffusion. A similar analysis was conducted for the Ti-Al binary system, and the transformation was interpreted from the CCT diagram constructed qualitatively. ((orig.))

Tethered Nanoparticle–Polymer Composites: Phase Stability and Curvature

KAUST Repository

Srivastava, Samanvaya; Agarwal, Praveen; Archer, Lynden A.

2012-01-01

different small-angle X-ray scattering signatures in comparison to phase-separated composites comprised of bare or sparsely grafted nanoparticles. A general diagram for the dispersion state and phase stability of polymer tethered nanoparticle-polymer

Stabilized ultrathin liquid membranes for gas separations

International Nuclear Information System (INIS)

Deetz, D.W.

1987-01-01

Although immobilized liquid membranes have the desirable properties of high selectivity and permeability, their practical application to gas phase separations is hindered because of the instability of the liquid phase and the relative thickness of current membranes. The problem of liquid instability, which is due to both liquid volatilization and flooding, can be reduced, or eliminated, by immobilizing the liquid phase in pores small enough to significantly reduce the molar free energy of the solution via the Kelvin effect. The obstacle of membrane thickness can be overcome by selectively immobilizing the liquid phase into the skin of a porous asymmetric membranes

Fundamental thermochemical properties of amino acids: gas-phase and aqueous acidities and gas-phase heats of formation.

Science.gov (United States)

Stover, Michele L; Jackson, Virgil E; Matus, Myrna H; Adams, Margaret A; Cassady, Carolyn J; Dixon, David A

2012-03-08

The gas-phase acidities of the 20 L-amino acids have been predicted at the composite G3(MP2) level. A broad range of structures of the neutral and anion were studied to determine the lowest energy conformer. Excellent agreement is found with the available experimental gas-phase deprotonation enthalpies, and the calculated values are within experimental error. We predict that tyrosine is deprotonated at the CO(2)H site. Cysteine is predicted to be deprotonated at the SH but the proton on the CO(2)H is shared with the S(-) site. Self-consistent reaction field (SCRF) calculations with the COSMO parametrization were used to predict the pK(a)'s of the non-zwitterion form in aqueous solution. The differences in the non-zwitterion pK(a) values were used to estimate the free energy difference between the zwitterion and nonzwitterion forms in solution. The heats of formation of the neutral compounds were calculated from atomization energies and isodesmic reactions to provide the first reliable set of these values in the gas phase. Further calculations were performed on five rare amino acids to predict their heats of formation, acidities, and pK(a) values.

Statistical parameter characteristics of gas-phase fluctuations for gas-liquid intermittent flow

Energy Technology Data Exchange (ETDEWEB)

Matsui, G.; Monji, H.; Takaguchi, M. [Univ. of Tsukuba (Japan)

1995-09-01

This study deals with theoretical analysis on the general behaviour of statistical parameters of gas-phase fluctuations and comparison of statistical parameter characteristics for the real void fraction fluctuations measured with those for the wave form modified the real fluctuations. In order to investigate the details of the relation between the behavior of the statistical parameters in real intermittent flow and analytical results obtained from information on the real flow, the distributions of statistical parameters for general fundamental wave form of gas-phase fluctuations are discussed in detail. By modifying the real gas-phase fluctuations to a trapezoidaly wave, the experimental results can be directly compared with the analytical results. The analytical results for intermittent flow show that the wave form parameter, and the total amplitude of void fraction fluctuations, affects strongly on the statistical parameter characteristics. The comparison with experiment using nitrogen gas-water intermittent flow suggests that the parameters of skewness and excess may be better as indicators of flow pattern. That is, the macroscopic nature of intermittent flow can be grasped by the skewness and the excess, and the detailed flow structure may be described by the mean and the standard deviation.

Statistical parameter characteristics of gas-phase fluctuations for gas-liquid intermittent flow

International Nuclear Information System (INIS)

Matsui, G.; Monji, H.; Takaguchi, M.

1995-01-01

This study deals with theoretical analysis on the general behaviour of statistical parameters of gas-phase fluctuations and comparison of statistical parameter characteristics for the real void fraction fluctuations measured with those for the wave form modified the real fluctuations. In order to investigate the details of the relation between the behavior of the statistical parameters in real intermittent flow and analytical results obtained from information on the real flow, the distributions of statistical parameters for general fundamental wave form of gas-phase fluctuations are discussed in detail. By modifying the real gas-phase fluctuations to a trapezoidaly wave, the experimental results can be directly compared with the analytical results. The analytical results for intermittent flow show that the wave form parameter, and the total amplitude of void fraction fluctuations, affects strongly on the statistical parameter characteristics. The comparison with experiment using nitrogen gas-water intermittent flow suggests that the parameters of skewness and excess may be better as indicators of flow pattern. That is, the macroscopic nature of intermittent flow can be grasped by the skewness and the excess, and the detailed flow structure may be described by the mean and the standard deviation

Energy Demodulation Algorithm for Flow Velocity Measurement of Oil-Gas-Water Three-Phase Flow

Directory of Open Access Journals (Sweden)

Yingwei Li

2014-01-01

Full Text Available Flow velocity measurement was an important research of oil-gas-water three-phase flow parameter measurements. In order to satisfy the increasing demands for flow detection technology, the paper presented a gas-liquid phase flow velocity measurement method which was based on energy demodulation algorithm combing with time delay estimation technology. First, a gas-liquid phase separation method of oil-gas-water three-phase flow based on energy demodulation algorithm and blind signal separation technology was proposed. The separation of oil-gas-water three-phase signals which were sampled by conductance sensor performed well, so the gas-phase signal and the liquid-phase signal were obtained. Second, we used the time delay estimation technology to get the delay time of gas-phase signals and liquid-phase signals, respectively, and the gas-phase velocity and the liquid-phase velocity were derived. At last, the experiment was performed at oil-gas-water three-phase flow loop, and the results indicated that the measurement errors met the need of velocity measurement. So it provided a feasible method for gas-liquid phase velocity measurement of the oil-gas-water three-phase flow.

Non Lyapunov stability of the constant spatially developing 1-D gas flow in presence of solutions having strictly positive exponential growth rate

Science.gov (United States)

Balint, Stefan; Balint, Agneta M.

2017-01-01

Different types of stabilities (global, local) and instabilities (global absolute, local convective) of the constant spatially developing 1-D gas flow are analyzed in the phase space of continuously differentiable functions, endowed with the usual algebraic operations and the topology generated by the uniform convergence on the real axis. For this purpose the Euler equations linearized at the constant flow are used. The Lyapunov stability analysis was presented in [1] and this paper is a continuation of [1].

Electron induced formation and stability of molecular and cluster ions in gas phase and superfluid helium nanodroplets

International Nuclear Information System (INIS)

Aleem, M. A.

2010-01-01

The present PhD thesis represents a broad range study of electron induced formation and stability of positive and negative ions in gas phase and superfluid helium nanodroplets. The molecules studied are of industrial, environmental, plasma and biological relevance. The knowledge obtained from the study provides new insight for the proper understanding and control on energetics and dynamics of the reactions involved in the formation and fragmentation processes of the studied molecules and clusters. The experiments are accomplished and investigated using mass spectrometric techniques for the formation of molecular and cluster ions using different mass spectrometers available in our laboratory. One part of the work is focused on electron-induced reactions of the molecules in gas phase. Especially focus is laid to electron attachment to the isomers of mononitrotolouene used as an additive to explosives. The fragile nature and high internal energy of these molecules has lead to extensive fragmentation following the ionisation process. Dissociative electron attachment to the three different isomers has shown different resonances and therefore this process can be utilized to explicitly distinguish these isomers. Anion efficiency curves of the isomers have been studied using effusive molecular beam source in combination with a hemispherical electron monochromator as well as a Nier-type ion source attached to a sector field mass spectrometer. The outcome of the experiment is a reliable and effective detection method highly desirable for environmental and security reasons. Secondly, dissociative electron ionization of acetylene and propene is studied and their data is directly related to the plasma modelling for plasma fusion and processing reactors. Temperature effects for dissociative electron attachment to halo-hydrocarbons are also measured using a trochoidal electron monochromator. The second part of the work is concerned with the investigation of electron

Stability of interfacial waves in two-phase flows

Energy Technology Data Exchange (ETDEWEB)

Liu, W S [Ontario Hydro, Toronto, ON (Canada)

1996-12-31

The influence of the interfacial pressure and the flow distribution in the one-dimensional two-fluid model on the stability problems of interfacial waves is discussed. With a proper formulation of the interfacial pressure, the following two-phase phenomena can be predicted from the stability and stationary criteria of the interfacial waves: onset of slug flow, stationary hydraulic jump in a stratified flow, flooding in a vertical pipe, and the critical void fraction of a bubbly flow. It can be concluded that the interfacial pressure plays an important role in the interfacial wave propagation of the two-fluid model. The flow distribution parameter may enhance the flow stability range, but only plays a minor role in the two-phase characteristics. (author). 20 refs., 3 tabs., 4 figs.

A preliminary study of thermo-mechanical stability of carbon S-phase formed in austenitic stainless steel

Energy Technology Data Exchange (ETDEWEB)

Li, Wei; Chiu, Yu Long; Dong, Hanshan, E-mail: wsgddf@hotmail.com [School of Metallurgy and Materials, College of Physical and Engineering Sciences, The University of Birmingham, Birmingham (United Kingdom)

2010-07-01

Carbon S-phase was generated in the surface of AISI316 austenitic stainless steel by plasma carburising at 500°C for 10h in a gas mixture of 1.5%CH4 and 98.5%H{sub 2}. The thermo-mechanical stability of the carbon S-phase was studied by stressing the 'dog-bone' tensile specimens in the range of 0-200MPa at temperatures ranging from 400 to 500°C for 100-150h. Post-test characterisation was conducted using XRD, SEM, TEM and micro-indentation. The experimental results demonstrate that when tested at a fix temperature the thickness of the carbon S-phase layer increased with the stress applied to the tensile specimens during the thermo-mechanical stability tests. This indicates that tensile stress promotes the diffusion of carbon in the carbon-S-phase. When stressed at 400°C the microstructure of the carbon S-phase was not affected by the stress level; however, when stressed at 450 and 500°C for 100MPa or above, the corrosion resistance of the carbon S-phase slightly deteriorated. The application of a tensile stress during annealing of S-phase layer can retard the deduction of its hardness. This is believed to be related to the early stage precipitation of carbides in the S-phase, which could be facilitated by the applied tensile stress during thermal annealing. (author)

The Condensation effect on the two-phase flow stability

International Nuclear Information System (INIS)

Abdou Mohamed, Hesham Nagah

2005-01-01

A one-dimensional analytical model has been developed to be used for the linear analysis of density-wave oscillations in a parallel heated channel and a natural circulation loop.The heater and the riser sections are divided into a single-phase and a two-phase region.The two-phase region is represented by the drift-flux model. The model accounts for aphasic slip and subcooled boiling.The localized friction at the heater and the riser exit is treated considering the two-phase mixture.Also the effects of the condensation in the riser and the change in the system pressure have been studied.The exact equation for the heated channel and the total loop pressure drop is perturbed around the steady state.he stability characteristics of the heated channel and the loop are investigated using the Root finding method criterion.The results are summarized on instability maps in the plane of subcooled boiling number vs. phase change number (i.e., inlet subcooling vs. heater heat flux).The predictions of the model are compared with experimental results published in open literature. The results show that, the treatment effect of localized friction in two-phase mixtures stabilizes the system and improves the agreement of the calculations with the experimental results.For a parallel heated channel, the results indicate a more stable system with high inlet restriction, low outlet restriction, and high inlet velocity. And for a natural circulation loop, an increase in the inlet restriction broadened the range of the continuous circulation mode and stabilized the system, a decrease in the exit restriction or the liquid charging level shifted to the right the range of the continuous circulation mode and stabilized the system and an increase in the riser condensation shifted to the right the range of the continuous circulation mode and stabilized the system.The results show that the model agrees well with the available experimental data. In particular, the results show the significance of

Phase noise and frequency stability in oscillators

CERN Document Server

Rubiola, Enrico

2009-01-01

Presenting a comprehensive account of oscillator phase noise and frequency stability, this practical text is both mathematically rigorous and accessible. An in-depth treatment of the noise mechanism is given, describing the oscillator as a physical system, and showing that simple general laws govern the stability of a large variety of oscillators differing in technology and frequency range. Inevitably, special attention is given to amplifiers, resonators, delay lines, feedback, and flicker (1/f) noise. The reverse engineering of oscillators based on phase-noise spectra is also covered, and end-of-chapter exercises are given. Uniquely, numerous practical examples are presented, including case studies taken from laboratory prototypes and commercial oscillators, which allow the oscillator internal design to be understood by analyzing its phase-noise spectrum. Based on tutorials given by the author at the Jet Propulsion Laboratory, international IEEE meetings, and in industry, this is a useful reference for acade...

Understanding Gas-Phase Ammonia Chemistry in Protoplanetary Disks

Science.gov (United States)

Chambers, Lauren; Oberg, Karin I.; Cleeves, Lauren Ilsedore

2017-01-01

Protoplanetary disks are dynamic regions of gas and dust around young stars, the remnants of star formation, that evolve and coagulate over millions of years in order to ultimately form planets. The chemical composition of protoplanetary disks is affected by both the chemical and physical conditions in which they develop, including the initial molecular abundances in the birth cloud, the spectrum and intensity of radiation from the host star and nearby systems, and mixing and turbulence within the disk. A more complete understanding of the chemical evolution of disks enables a more complete understanding of the chemical composition of planets that may form within them, and of their capability to support life. One element known to be essential for life on Earth is nitrogen, which often is present in the form of ammonia (NH3). Recent observations by Salinas et al. (2016) reveal a theoretical discrepancy in the gas-phase and ice-phase ammonia abundances in protoplanetary disks; while observations of comets and protostars estimate the ice-phase NH3/H2O ratio in disks to be 5%, Salinas reports a gas-phase NH3/H2O ratio of ~7-84% in the disk surrounding TW Hydra, a young nearby star. Through computational chemical modeling of the TW Hydra disk using a reaction network of over 5000 chemical reactions, I am investigating the possible sources of excess gas-phase NH3 by determining the primary reaction pathways of NH3 production; the downstream chemical effects of ionization by ultraviolet photons, X-rays, and cosmic rays; and the effects of altering the initial abundances of key molecules such as N and N2. Beyond providing a theoretical explanation for the NH3 ice/gas discrepancy, this new model may lead to fuller understanding of the gas-phase formation processes of all nitrogen hydrides (NHx), and thus fuller understanding of the nitrogen-bearing molecules that are fundamental for life as we know it.

Gas-Phase Thermolysis

DEFF Research Database (Denmark)

Carlsen, Lars; Egsgaard, Helge; Schaumann, Ernst

1980-01-01

The unimolecular gas-phase thermolytic decomposition of three silylated thionocarboxylic acid derivatives (2b), (3), and (8) have been studied by the flash vacuum thermolysis–field ionization mass spectrometry technique in the temperature range from 783 to 1 404 K in order to elucidate its possible...... applicability as a route to thioketens. Only very minor amounts of the expected thioketens were found, whereas the corresponding ketens were obtained as the major products. A possible mechanism for keten formation is discussed....

Land application uses for dry flue gas desulfurization by-products: Phase 3

Energy Technology Data Exchange (ETDEWEB)

Dick, W.; Bigham, J.; Forster, R.; Hitzhusen, F.; Lal, R.; Stehouwer, R.; Traina, S.; Wolfe, W.; Haefner, R.; Rowe, G.

1999-01-31

New flue gas desulfurization (FGD) scrubbing technologies create a dry, solid by-product material consisting of excess sorbent, reaction product that contains sulfate and sulfite, and coal fly ash. Generally, dry FGD by-products are treated as solid wastes and disposed in landfills. However, landfill sites are becoming scarce and tipping fees are constantly increasing. Provided the environmental impacts are socially and scientifically acceptable, beneficial uses via recycling can provide economic benefits to both the producer and the end user of the FGD. A study titled ''Land Application Uses for Dry Flue Gas Desulfurization By-Products'' was initiated in December, 1990 to develop and demonstrate large volume, beneficial uses of FGD by-products. Phase 1 and Phase 2 reports have been published by the Electric Power Research Institute (EPRI), Palo Alto, CA. Phase 3 objectives were to demonstrate, using field studies, the beneficial uses of FGD by-products (1) as an amendment material on agricultural lands and on abandoned surface coal mine land, (2) as an engineering material for soil stabilization and raid repair, and (3) to assess the environmental and economic impacts of such beneficial uses. Application of dry FGD by-product to three soils in place of agricultural limestone increased alfalfa (Medicago sativa L.) and corn (Zea may L.) yields. No detrimental effects on soil and plant quality were observed.

Stability of quasi-steady deflagrations in confined porous energetic materials

Energy Technology Data Exchange (ETDEWEB)

Alexander M. Telengator; Stephen B. Margolis; Forman A. Williams

2000-03-01

Previous analyses have shown that unconfined deflagrations propagating through both porous and nonporous energetic materials can exhibit a thermal/diffusive instability that corresponds to the onset of various oscillatory modes of combustion. For porous materials, two-phase-flow effects, associated with the motion of the gas products relative to the condensed material, play a significant role that can shift stability boundaries with respect to those associated with the nonporous problem. In the present work, additional significant effects are shown to be associated with confinement, which produces an overpressure in the burned-gas region that leads to reversal of the gas flow and hence partial permeation of the hot gases into the unburned porous material. This results in a superadiabatic effect that increases the combustion temperature and, consequently, the burning rate. Under the assumption of gas-phase quasi-steadiness, an asymptotic model is presented that facilitates a perturbation analysis of both the basic solution, corresponding to a steadily propagating planar combustion wave, and its stability. The neutral stability boundaries collapse to the previous results in the absence of confinement, but different trends arising from the presence of the gas-permeation layer are predicted for the confined problem. Whereas two-phase-flow effects are generally destabilizing in the unconfined geometry, the effects of increasing overpressure and hence combustion temperature associated with confinement are shown to be generally stabilizing with respect to thermal/diffusive instability, analogous to the effects of decreasing heat losses on combustion temperature and stability in single-phase deflagrations.

Analytical study of solids-gas two phase flow

International Nuclear Information System (INIS)

Hosaka, Minoru

1977-01-01

Fundamental studies were made on the hydrodynamics of solids-gas two-phase suspension flow, in which very small solid particles are mixed in a gas flow to enhance the heat transfer characteristics of gas cooled high temperature reactors. Especially, the pressure drop due to friction and the density distribution of solid particles are theoretically analyzed. The friction pressure drop of two-phase flow was analyzed based on the analytical result of the single-phase friction pressure drop. The calculated values of solid/gas friction factor as a function of solid/gas mass loading are compared with experimental results. Comparisons are made for Various combinations of Reynolds number and particle size. As for the particle density distribution, some factors affecting the non-uniformity of distribution were considered. The minimum of energy dispersion was obtained with the variational principle. The suspension density of particles was obtained as a function of relative distance from wall and was compared with experimental results. It is concluded that the distribution is much affected by the particle size and that the smaller particles are apt to gather near the wall. (Aoki, K.)

Stability and suppression of turbulence in relaxing molecular gas flows

CERN Document Server

Grigoryev, Yurii N

2017-01-01

This book presents an in-depth systematic investigation of a dissipative effect which manifests itself as the growth of hydrodynamic stability and suppression of turbulence in relaxing molecular gas flows. The work describes the theoretical foundations of a new way to control stability and laminar turbulent transitions in aerodynamic flows. It develops hydrodynamic models for describing thermal nonequilibrium gas flows which allow the consideration of suppression of inviscid acoustic waves in 2D shear flows. Then, nonlinear evolution of large-scale vortices and Kelvin-Helmholtz waves in relaxing shear flows are studied. Critical Reynolds numbers in supersonic Couette flows are calculated analytically and numerically within the framework of both linear and nonlinear classical energy hydrodynamic stability theories. The calculations clearly show that the relaxation process can appreciably delay the laminar-turbulent transition. The aim of the book is to show the new dissipative effect, which can be used for flo...

Stability of phase locking in a ring of unidirectionally coupled oscillators

International Nuclear Information System (INIS)

Rogge, J A; Aeyels, D

2004-01-01

We discuss the dynamic behaviour of a finite group of phase oscillators unidirectionally coupled in a ring. The dynamics are based on the Kuramoto model. In the case of identical oscillators, all phase locking solutions and their stability properties are obtained. For nonidentical oscillators it is proven that there exist phase locking solutions for sufficiently strong coupling. An algorithm to obtain all phase locking solutions is proposed. These solutions can be classified into classes, each with its own stability properties. The stability properties are obtained by means of a novel extension of Gershgorin's theorem. One class of stable solutions has the property that all phase differences between neighbouring cells are contained in (-π/2, π/2). Contrary to intuition, a second class of stable solutions is established with exactly one of the phase differences contained in (π/2, 3π/2). The stability results are extended from sinusoidal interconnections to a class of odd functions. To conclude, a connection with the field of active antenna arrays is made, generalizing some results earlier obtained in this field

Gas phase pulse radiolysis

International Nuclear Information System (INIS)

Jonah, C.D.; Andong Liu; Mulac, W.A.

1987-01-01

Gas phase pulse radiolysis, a technique which can be used to study many different phenomena in chemistry and physics, is discussed. As a source of small radicals, pulse radiolysis is important to the field of chemistry, particularly to combustion and atmospheric kinetics. The reactions of 1,3-butadiene, allene, ethylene and acetylene with OH are presented. 52 refs., 1 fig., 1 tab

Phase transformations, stability, and materials interactions

International Nuclear Information System (INIS)

Morris, J.W. Jr.; Brewer, L.; Cost, J.R.; Shewmon, P.

1977-07-01

The proceedings of the Materials Sciences Workshop on Phase Transformations, Stability, and Materials Interactions are divided into sections according to the following topics: (I) workshop scope and priorities; (II) study group reports--ERDA mission needs; (III) study group reports--technical area research priorities

Laser spectroscopy and gas-phase chemistry in CVD

International Nuclear Information System (INIS)

Ho, P.; Breiland, W.G.; Coltrin, M.E.

1986-01-01

The experimental work involves the use of laser spectroscopic techniques for in situ measurements on the gas phase in a chemical vapor deposition reactor. The theoretical part of the program consists of a computer model of the coupled fluid mechanics and gas-phase chemical kinetics of silane decomposition and subsequent reactions of intermediate species. The laser measurements provide extensive data for thoroughly testing the predictive capabilities of the model

Basin-Wide Temperature Constraints On Gas Hydrate Stability In The Gulf Of Mexico

Science.gov (United States)

MacDonald, I. R.; Reagan, M. T.; Guinasso, N. L.; Garcia-Pineda, O. G.

2012-12-01

Gas hydrate deposits commonly occur at the seafloor-water interface on marine margins. They are especially prevalent in the Gulf of Mexico where they are associated with natural oil seeps. The stability of these deposits is potentially challenged by fluctuations in bottom water temperature, on an annual time-scale, and under the long-term influence of climate change. We mapped the locations of natural oil seeps where shallow gas hydrate deposits are known to occur across the entire Gulf of Mexico basin based on a comprehensive review of synthetic aperture radar (SAR) data (~200 images). We prepared a bottom water temperature map based on the archive of CTD casts from the Gulf (~6000 records). Comparing the distribution of gas hydrate deposits with predicted bottom water temperature, we find that a broad area of the upper slope lies above the theoretical stability horizon for structure 1 gas hydrate, while all sites where gas hydrate deposits occur are within the stability horizon for structure 2 gas hydrate. This is consistent with analytical results that structure 2 gas hydrates predominate on the upper slope (Klapp et al., 2010), where bottom water temperatures fluctuate over a 7 to 10 C range (approx. 600 m depth), while pure structure 1 hydrates are found at greater depths (approx. 3000 m). Where higher hydrocarbon gases are available, formation of structure 2 gas hydrate should significantly increase the resistance of shallow gas hydrate deposits to destabilizing effects variable or increasing bottom water temperature. Klapp, S.A., Bohrmann, G., Kuhs, W.F., Murshed, M.M., Pape, T., Klein, H., Techmer, K.S., Heeschen, K.U., and Abegg, F., 2010, Microstructures of structure I and II gas hydrates from the Gulf of Mexico: Marine and Petroleum Geology, v. 27, p. 116-125.Bottom temperature and pressure for Gulf of Mexico gas hydrate outcrops and stability horizons for sI and sII hydrate.

Stability of the 1144 phase in iron pnictides

Science.gov (United States)

Song, B. Q.; Nguyen, Manh Cuong; Wang, C. Z.; Ho, K. M.

2018-03-01

A series of iron arsenides (e.g., CaRbFe4As4 , SrCsFe4As4 ) have been discovered recently, and have provoked a rise in superconductor searches in a different phase, known as the 1144 phase. For the presence of various chemical substitutions, it is believed that more 1144 compounds remain to be discovered. In this work, we perform general model analysis as well as scenario calculation on a basis of density functional theory to investigate phase stability in a variety of compounds. We predict that the 1144-type phase could be stabilized in EuKFe4As4 , EuRbFe4As4 , EuCsFe4As4 , CaCsFe4P4 , SrCsFe4P4 , BaCsFe4P4 , InCaFe4As4 , InSrFe4As4 , etc. Remarkably, it involves rare earths, trivalence elements (e.g., indium) and iron phosphides, which greatly expands the range of its existence and suggests a promising prospect for experimental synthesis. In addition, we find that the formation of many random doping compounds (e.g., Ba0.5Cs0.5Fe2As2 , Ba0.5Rb0.5Fe2As2 ) is driven by entropy and could be annealed to a 1144-type phase. Eventually, we plot a phase diagram about two structural factors Δ a and Δ c , giving a bird's-eye view of stability of various 1144 compounds.

Simultaneous solution algorithms for Eulerian-Eulerian gas-solid flow models: Stability analysis and convergence behaviour of a point and a plane solver

International Nuclear Information System (INIS)

Wilde, Juray de; Vierendeels, Jan; Heynderickx, Geraldine J.; Marin, Guy B.

2005-01-01

Simultaneous solution algorithms for Eulerian-Eulerian gas-solid flow models are presented and their stability analyzed. The integration algorithms are based on dual-time stepping with fourth-order Runge-Kutta in pseudo-time. The domain is solved point or plane wise. The discretization of the inviscid terms is based on a low-Mach limit of the multi-phase preconditioned advection upstream splitting method (MP-AUSMP). The numerical stability of the simultaneous solution algorithms is analyzed in 2D with the Fourier method. Stability results are compared with the convergence behaviour of 3D riser simulations. The impact of the grid aspect ratio, preconditioning, artificial dissipation, and the treatment of the source terms is investigated. A particular advantage of the simultaneous solution algorithms is that they allow a fully implicit treatment of the source terms which are of crucial importance for the Eulerian-Eulerian gas-solid flow models and their solution. The numerical stability of the optimal simultaneous solution algorithm is analyzed for different solids volume fractions and gas-solid slip velocities. Furthermore, the effect of the grid resolution on the convergence behaviour and the simulation results is investigated. Finally, simulations of the bottom zone of a pilot-scale riser with a side solids inlet are experimentally validated

Phase stability of random brasses: pseudopotential theory revisited

International Nuclear Information System (INIS)

Rahman, S.M.M.

1987-06-01

We review the theoretical development concerning the phase stability of random brasses. The introductory discussion of the subject embraces the rules of metallurgy in general, but we emphasize on the roles of electron-per-atom ratio in the major bulk of our discussion. Starting from the so-called rigid-band model the discussion goes up to the recent higher-order pseudopotential theory. The theoretical refinements within the pseudopotential framework are discussed briefly. The stability criteria of the random phases are analysed both in the static lattice and dynamic lattice approximations. (author). 71 refs, figs and tabs

Effect of citronella essential oil fractions as oil phase on emulsion stability

Science.gov (United States)

Septiyanti, Melati; Meliana, Yenny; Agustian, Egi

2017-11-01

The emulsion system consists of water, oil and surfactant. In order to create stable emulsion system, the composition and formulation between water phase, surfactant and oil phase are very important. Essential oil such as citronella oil has been known as active ingredient which has ability as insect repellent. This research studied the effect of citronella oil and its fraction as oil phase on emulsion stability. The cycle stability test was conducted to check the emulsion stability and it was monitored by pH, density, viscosity, particle size, refractive index, zeta potential, physical appearance and FTIR for 4 weeks. Citronellal fraction has better stability compared to citronella oil and rhodinol fraction with slight change of physical and chemical properties before and after the cycle stability test. However, it is need further study to enhance the stability of the emulsion stability for this formulation.

Beam tuning and stabilization using beam phase measurements at GANIL

International Nuclear Information System (INIS)

Chabert, A.; Loyer, F.; Sauret, J.

1984-06-01

Owing to the great sensitivity of the beam phase to the various parameters, on line beam phase measurements proved to be a very efficient way of tuning and stabilizing the beam of the multi-accelerator complex. We recall the system which allows to obtain the different kinds of accurate measurements we need and describe the main applications: - tuning process (buncher and SSC's RF phase determination, setting of the required radial beam phase law in the SSC's); - stabilization of the beam by loops, the basic principle of which being to keep constant the beam central phase all along the machine by adjusting RF voltages or magnetic fields. Feedback loops are described and comparative results with and without feedback are given

Gas gain stability of MSGCs on borosilicate glass

International Nuclear Information System (INIS)

Berg, F.D. van den; Daum, C.; Eijk, B. van; Hartjes, F.G.; Udo, F.; Zhukov, V.

1996-01-01

The gas gain stability in Micro Strip Gas Counters fabricated on borosilicate glass has been investigated for operation at high radiation fluxes up to 10 5 Hz/mm 2 in a X-ray set-up. We discuss effects of short and long term irradiation on the gain for different voltage settings and strip metalisations. The application of a high drift field and a back plane on positive potential provides good high rate operation up to 10 4 Hz/mm 2 . Ageing is observed to be strongly dependent on the stirp metalisation; gold and nickel perform better than aluminium and copper. (orig.)

Low Gravity Drug Stability Analyzer, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — The overall goal of this proposed program (through Phase III) is to build a space-worthy Drug Stability Analyzer that can determine the extent of drug degradation....

Phase compensated gas turbine governor for damping oscillatory modes

Energy Technology Data Exchange (ETDEWEB)

Yee, S.K. [Siemens Transmission and Distribution Limited, Manchester (United Kingdom); Milanovic, J.V. [School of Electrical and Electronic Engineering, University of Manchester, PO Box 88, Manchester M60 1 QD (United Kingdom); Hughes, F.M. [Manchester (United Kingdom)

2009-08-15

With market deregulation, there is constant pressure to utilise existing assets in more effective ways in order to achieve high levels of performance and as governor technologies mature the ability of governors to achieve much more than the standard power-frequency regulation function increases. Thus, this paper has focused on a more active use of governor control for a gas turbine to provide improved system stabilisation and performance via the inclusion of phase compensation in the governor control loop. Due to the decoupled nature of the mechanical power and excitation control loops, performance improvement via governor control does not interfere with generator voltage regulation, which is a drawback of conventional generator damping provision via a power system stabiliser (PSS). In addition, the mechanical power control loop is also less affected by the operating condition of the power system and is hence more robust. It is shown that inclusion of appropriate phase compensation in the governor control loop can improve dynamic and transient stability, either alone or in conjunction with a PSS in the exciter control loop, without adversely interfering with voltage control or changing steady state power-frequency regulation. (author)

Effect of gas hydrates melting on seafloor slope stability

Science.gov (United States)

Sultan, N.; Cochonat, P.; Foucher, J. P.; Mienert, J.; Haflidason, H.; Sejrup, H. P.

2003-04-01

Henriet, J.-P.; Mienert, J. (Ed.): Gas hydrates: relevance to world margin stability and climate change. Geological Society Special Publication, 137. The Geological Society: London, UK, p. 267-274. Handa,Y.P., 1989. Effect of Hydrostatic Pressure and Salinity on the Stability of Gas Hydrates. J.Phys.Chem., Vol.94, p.2652-2657. Henry, P., Thomas, M.; Clennell, M.B., 1999. Formation of Natural Gas Hydrates in Marine Sediments 2. Thermodynamic Calculations of Stability Conditions in Porous Sediments,” J. Geophys. Res., 104, p. 23005. Sloan, E.D. Jr., 1998. Clathrate hydrates of natural gases. Marcel Dekker Inc., 2nd edition, New York, pp. 705. Soave G, 1972. Equilibrium

Multiphase flow and transport caused by spontaneous gas phase growth in the presence of dense non-aqueous phase liquid.

Science.gov (United States)

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.

Possible gas hydrates on the Bjarmeland Platform; seismic expression and stability modelling

OpenAIRE

Løvaas, John Sverre

2016-01-01

Seismic evidence of shallow gas anomalies are prominent at Ververis Dome structure and Hoop Fault Complex in Bjarmeland Platform. Ubiquitous high amplitude anomalies at the same depth as these shallow gas anomalies infer a possible relation to gas hydrates. A wide range of fluid flow structures within the two study areas have previously been discovered and reported, and may possibly feed the base of the gas hydrate stability zone (BGHSZ) with upward migrating thermogenic gas. This thesis f...

Atomic scale insights into electrochemical versus gas phase oxidation of HCl over RuO2-based catalysts: A comparative review

International Nuclear Information System (INIS)

Over, Herbert

2013-01-01

In this article our current understanding of the electro-catalyzed chlorine evolution reaction (CER) in comparison with that of the heterogeneously-catalyzed gas phase oxidation of HCl (Deacon process: heterogeneous catalysis) over RuO 2 -based catalysts will be reviewed. Both types of harsh reactions are chemically similar: The main concern is catalyst stability, and in both cases the best catalyst contains RuO 2 as the catalytically active component so that a critical comparison may provide new insights into the underlying physicochemical processes. It is the primary scope of this review addresses atomic scale information on the RuO 2 -catalyzed HCl oxidation reaction either in electrochemical or in gas phase environment. In particular, the involved reaction mechanisms and the reason for the extraordinary stability of RuO 2 under such harsh reaction conditions will be discussed, emphasizing similarities and differences in the Deacon process and the CER and what can be learnt from this comparison. The distinct properties of RuO 2 , which are responsible for its extraordinary catalytic performance in both the CER and the Deacon process, are highlighted

Wigner Distribution Functions as a Tool for Studying Gas Phase Alkali Metal Plus Noble Gas Collisions

Science.gov (United States)

2014-03-27

WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR STUDYING GAS PHASE ALKALI METAL PLUS NOBLE GAS COLLISIONS THESIS Keith A. Wyman, Second Lieutenant, USAF...the U.S. Government and is not subject to copyright protection in the United States. AFIT-ENP-14-M-39 WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR...APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED AFIT-ENP-14-M-39 WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR STUDYING GAS PHASE ALKALI METAL PLUS

Gas-phase water-mediated equilibrium between methylglyoxal and its geminal diol

Science.gov (United States)

Axson, Jessica L.; Takahashi, Kaito; De Haan, David O.; Vaida, Veronica

2010-01-01

In aqueous solution, aldehydes, and to a lesser extent ketones, hydrate to form geminal diols. We investigate the hydration of methylglyoxal (MG) in the gas phase, a process not previously considered to occur in water-restricted environments. In this study, we spectroscopically identified methylglyoxal diol (MGD) and obtained the gas-phase partial pressures of MG and MGD. These results, in conjunction with the relative humidity, were used to obtain the equilibrium constant, KP, for the water-mediated hydration of MG in the gas phase. The Gibbs free energy for this process, ΔG°, obtained as a result, suggests a larger than expected gas-phase diol concentration. This may have significant implications for understanding the role of organics in atmospheric chemistry. PMID:20142510

Modeling and Stability Assessment of Single-Phase Grid Synchronization Techniques

DEFF Research Database (Denmark)

Golestan, Saeed; Guerrero, Josep M.; Vasquez, Juan

2018-01-01

(GSTs) is of vital importance. This task is most often based on obtaining a linear time-invariant (LTI) model for the GST and applying standard stability tests to it. Another option is modeling and dynamics/stability assessment of GSTs in the linear time-periodic (LTP) framework, which has received...... a very little attention. In this letter, the procedure of deriving the LTP model for single-phase GSTs is first demonstrated. The accuracy of the LTP model in predicting the GST dynamic behavior and stability is then evaluated and compared with that of the LTI one. Two well-known single-phase GSTs, i...

Gas-liquid two-phase flows in double inlet cyclones for natural gas separation

DEFF Research Database (Denmark)

Yang, Yan; Wang, Shuli; Wen, Chuang

2017-01-01

The gas-liquid two-phase flow within a double inlet cyclone for natural gasseparation was numerically simulated using the discrete phase model. The numericalapproach was validated with the experimental data, and the comparison resultsagreed well with each other. The simulation results showed...... that the strong swirlingflow produced a high centrifugal force to remove the particles from the gas mixture.The larger particles moved downward on the internal surface and were removeddue to the outer vortex near the wall. Most of the tiny particles went into the innervortex zones and escaped from the up...

BSRs Elevated by Fluid Upwelling on the Upper Amazon Fan : Bottom-up Controls on Gas Hydrate Stability

Science.gov (United States)

Praeg, D.; Silva, C. G.; dos Reis, A. T.; Ketzer, J. M.; Unnithan, V.; Perovano Da Silva, R. J.; Cruz, A. M.; Gorini, C.

2017-12-01

The stability of natural gas hydrate accumulations on continental margins has mainly been considered in terms of changes in seawater pressures and temperatures driven from above by climate. We present evidence from the Amazon deep-sea fan for stability zone changes driven from below by fluid upwelling. A grid of 2D and 3D multichannel seismic data show the upper Amazon fan in water depths of 1200-2000 m to contain a discontinuous bottom-simulating seismic reflection (BSR) that forms `patches' 10-50 km wide and up to 140 km long, over a total area of at least 5000 km2. The elongate BSR patches coincide with anticlinal thrust-folds that record on-going gravitational collapse of the fan above décollements at depths of up to 10 km. The BSR lies within 100-300 m of seafloor, in places rising beneath features that seafloor imagery show to be pockmarks and mud volcanoes, some venting gas to the water column. The BSR patches are up to 500 m shallower than predicted for methane hydrate based on geothermal gradients as low as 17˚C/km measured within the upper fan, and inversion of the BSR to obtain temperatures at the phase boundary indicates gradients 2-5 times background levels. We interpret the strongly elevated BSR patches to record upwelling of warm gas-rich fluids through thrust-fault zones 101 km wide. We infer this process to favour gas hydrate occurrences that are concentrated in proportion to flux and locally pierced by vents, and that will be sensitive to temporal variations in the upward flux of heat and gas. Thus episodes of increased flux, e.g. during thrusting, could dissociate gas hydrates to trigger slope failures and/or enhanced gas venting to the ocean. Structurally-driven fluid flow episodes could account for evidence of recurrent large-scale failures from the compressive belt on the upper fan during its Neogene collapse, and provide a long-term alternative to sea level triggering. The proposed mechanism of upward flux links the distribution and

Comparison of catalytic ethylene polymerization in slurry and gas phase

NARCIS (Netherlands)

Daftaribesheli, Majid

2009-01-01

Polyethylene (PE) with the annual consumption of 70 million tones in 2007 is mostly produced in slurry, gas-phase or combination of both processes. This work focuses on a comparison between the slurry and gas phase processes. Why does PE produced in theses two processes can show extremely different

Gas holdup in a reciprocating plate bioreactor: Non-Newtonian - liquid phase

Directory of Open Access Journals (Sweden)

Naseva Olivera S.

2002-01-01

Full Text Available The gas holdup was studied in non-newtonian liquids in a gas-liquid and gas-liquid-solid reciprocating plate bioreactor. Aqueous solutions of carboxy methyl cellulose (CMC; Lucel, Lučane, Yugoslavia of different degrees of polymerization (PP 200 and PP 1000 and concentration (0,5 and 1%, polypropylene spheres (diameter 8.3 mm; fraction of spheres: 3.8 and 6.6% by volume and air were used as the liquid, solid and gas phase. The gas holdup was found to be dependent on the vibration rate, the superficial gas velocity, volume fraction of solid particles and Theological properties of the liquid ohase. Both in the gas-liquid and gas-liquid-solid systems studied, the gas holdup increased with increasing vibration rate and gas flow rate. The gas holdup was higher in three-phase systems than in two-phase ones under otter operating conditions being the same. Generally the gas holdup increased with increasing the volume fraction of solid particles, due to the dispersion action of the solid particles, and decreased with increasing non-Newtonian behaviour (decreasing flow index i.e. with increasing degree of polymerization and solution concentration of CMC applied, as a result of gas bubble coalescence.

Intrinsic folding of small peptide chains: spectroscopic evidence for the formation of beta-turns in the gas phase.

Science.gov (United States)

Chin, Wutharath; Dognon, Jean-Pierre; Piuzzi, François; Tardivel, Benjamin; Dimicoli, Iliana; Mons, Michel

2005-01-19

Laser desorption of model peptides coupled to laser spectroscopic techniques enables the gas-phase observation of genuine secondary structures of biology. Spectroscopic evidence for the formation of beta-turns in gas-phase peptide chains containing glycine and phenylalanine residues establishes the intrinsic stability of these forms and their ability to compete with other stable structures. The precise characterization of local minima on the potential energy surface from IR spectroscopy constitutes an acute assessment for the state-of-the-art quantum mechanical calculations also presented. The observation of different types of beta-turns depending upon the residue order within the sequence is found to be consistent with the residue propensities in beta-turns of proteins, which suggests that the prevalence of glycine in type II and II' turns stems essentially from an energetic origin, already at play under isolated conditions.

Experimental station for gas phase fluorescence spectroscopy

International Nuclear Information System (INIS)

Stankiewicz, M.; Garcia, E. Melero; Ruiz, J. Alvarez; Erman, P.; Hatherly, P.A.; Kivimaeki, A.; Rachlew, E.; Rius i Riu, J.

2004-01-01

The details of an experimental setup for gas phase atomic and molecular fluorescence measurements using synchrotron radiation are described in this article. The most significant part of the apparatus is an optical arrangement, which allows for simultaneous measurements of dispersed as well as total fluorescence intensity using an effusive gas jet and an inbuilt gas cell assembled in a convenient plug and measure configuration. The first measurements concerning fluorescence of the N 2 molecule around the N 1s edge obtained with this setup are presented

Thermodynamic and experimental study on phase stability in nanocrystalline alloys

International Nuclear Information System (INIS)

Xu Wenwu; Song Xiaoyan; Lu Nianduan; Huang Chuan

2010-01-01

Nanocrystalline alloys exhibit apparently different phase transformation characteristics in comparison to the conventional polycrystalline alloys. The special phase stability and phase transformation behavior, as well as the essential mechanisms of the nanocrystalline alloys, were described quantitatively in a nanothermodynamic point of view. By introducing the relationship between the excess volume at the grain boundary and the nanograin size, the Gibbs free energy was determined distinctly as a function of temperature and the nanograin size. Accordingly, the grain-size-dependence of the phase stability and phase transformation characteristics of the nanocrystalline alloy were calculated systematically, and the correlations between the phase constitution, the phase transformation temperature and the critical nanograin size were predicted. A series of experiments was performed to investigate the phase transformations at room temperature and high temperatures using the nanocrystalline Sm 2 Co 17 alloy as an example. The phase constitution and phase transformation sequence found in nanocrystalline Sm 2 Co 17 alloys with various grain-size levels agree well with the calculations by the nanothermodynamic model.

Gas-Phase Reactivity of Microsolvated Anions

DEFF Research Database (Denmark)

Thomsen, Ditte Linde

the gas-phase α-effect. The experimental studies are performed by means of the flowing after glow selected ion flow tube technique, and these are supplemented by electronic structure calculations. The α-nucleophile employed is the microsolvated hydrogen peroxide anion whose reactivity is compared......Gas-phase studies of ion-molecule reactions shed light on the intrinsic factors that govern reactivity; and even solvent effects can be examined in the gasphase environment by employing microsolvated ions. An area that has received considerable attention with regard to the interplay between...... to that of a series of microsolvated oxygen centered anions. The association of the nucleophiles with a single water or methanol molecule allows the α-effect to be observed in the SN2 reaction with methyl chloride; this effect was not apparent in the reactions of the unsolvated anions. The results suggest...

Stability conditions and phase diagrams for two-component Fermi gases with population imbalance

International Nuclear Information System (INIS)

Chen Qijin; He Yan; Chien, C.-C.; Levin, K.

2006-01-01

Superfluidity in atomic Fermi gases with population imbalance has recently become an exciting research focus. There is considerable disagreement in the literature about the appropriate stability conditions for states in the phase diagram throughout the BCS to Bose-Einstein condensation crossover. Here we discuss these stability conditions for homogeneous polarized superfluid phases, and compare with recent alternative proposals. The requirement of a positive second-order partial derivative of the thermodynamic potential with respect to the fermionic excitation gap Δ (at fixed chemical potentials) is demonstrated to be equivalent to the positive definiteness of the particle number susceptibility matrix. In addition, we show the positivity of the effective pair mass constitutes another nontrivial stability condition. These conditions determine the (local) stability of the system towards phase separation (or other ordered phases). We also study systematically the effects of finite temperature and the related pseudogap on the phase diagrams defined by our stability conditions

Nanosize stabilization of cubic and tetragonal phases in reactive plasma synthesized zirconia powders

Energy Technology Data Exchange (ETDEWEB)

Jayakumar, S., E-mail: sjayakumar.physics@gmail.com [Research and Development Centre, Bharathiar University, Coimbatore 641 014 (India); Department of Physics, Pollachi Institute of Engineering and Technology, Pollachi 642 205 (India); Ananthapadmanabhan, P.V.; Thiyagarajan, T.K. [Laser and Plasma Technology Division, BARC, Trombay, Mumbai 400 085 (India); Perumal, K. [Vision for Wisdom, Temple of Consciousness, Aliyar 642 101 (India); Mishra, S.C. [Department of Metallurgical and Materials Engg, National Institute of Technology, Rourkela 769 008 (India); Suresh, G. [Department of Physics, Park College of Engineering and Technology, Coimbatore 641 659 (India); Su, L.T.; Tok, A.I.Y. [School of Materials Science and Engg, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639 798 (Singapore)

2013-06-15

Pure zirconium oxide powders with particle size 2–33 nm are synthesized by reactive plasma processing. Transmission electron microscopy investigation of these particles revealed size dependent behavior for their phase stabilization. The monoclinic phase is found to be stable when particle size is ≥20 nm; Tetragonal is found to be stabilized in the range of 7–20 nm and as the particle size decreases to 6 nm and less, the cubic phase is stabilized. - Highlights: ► Direct conversion of micron-sized zirconium hydride powder to single crystal ZrO{sub 2} nanopowder. ► Size dependent stabilization of cubic, tetragonal and monoclinic phases in the reactive plasma synthesized ZrO{sub 2} nanopowder. ► Transmission electron microscopic investigation to identify particles of different sizes and their corresponding phase structure.

Laboratory Studies of Stabilities of Heterocyclic Aromatic Molecules: Suggested Gas Phase Ion-Molecule Routes to Production in Interstellar Gas Clouds

Science.gov (United States)

Adams, Nigel G.; Fondren, L. Dalila; McLain, Jason L.; Jackson, Doug M.

2006-01-01

Several ring compounds have been detected in interstellar gas clouds, ISC, including the aromatic, benzene. Polycyclic aromatic hydrocarbons, PAHs, have been implicated as carriers of diffuse interstellar bands (DIBs) and unidentified infrared (UIR) bands. Heterocyclic aromatic rings of intermediate size containing nitrogen, possibly PreLife molecules, were included in early searches but were not detected and a recent search for Pyrimidine was unsuccessful. Our laboratory investigations of routes to such molecules could establish their existence in ISC and suggest conditions under which their concentrations would be maximized thus aiding the searches. The stability of such ring compounds (C5H5N, C4H4N2, C5H11N and C4H8O2) has been tested in the laboratory using charge transfer excitation in ion-molecule reactions. The fragmentation paths, including production of C4H4(+), C3H3N(+) and HCN, suggest reverse routes to the parent molecules, which are presently under laboratory investigation as production sources.

Post-flame gas-phase sulfation of potassium chloride

DEFF Research Database (Denmark)

Li, Bo; Sun, Zhiwei; Li, Zhongshan

2013-01-01

The sulfation of KCl during biomass combustion has implications for operation and emissions: it reduces the rates of deposition and corrosion, it increases the formation of aerosols, and it leads to higher concentrations of HCl and lower concentrations of SO2 in the gas phase. Rigorously homogene......The sulfation of KCl during biomass combustion has implications for operation and emissions: it reduces the rates of deposition and corrosion, it increases the formation of aerosols, and it leads to higher concentrations of HCl and lower concentrations of SO2 in the gas phase. Rigorously...

Phases stability of shape memory alloys Cu based under irradiation

International Nuclear Information System (INIS)

Zelaya, Maria Eugenia

2006-01-01

The effects of irradiation on the relative phase stability of phases related by a martensitic transformation in copper based shape memory alloys were studied in this work.Different kind of particles and energies were employed in the irradiation experiments.The first kind of irradiation was performed with 2,6 MeV electrons, the second one with 170 keV and 300 keV Cu ions and the third one with swift heavy ions (Kr, Xe, Au) with energies between 200 and 600 MeV.Stabilization of the 18 R martensite in Cu-Zn-Al-Ni induced by electron irradiation was studied.The results were compared to those of the stabilization induced by quenching and ageing in the same alloy, and the ones obtained by irradiation in 18 R-Cu-Zn-Al alloys.The effects of Cu irradiation over b phase were analyzed with several electron microscopy techniques including: scanning electron microscopy (S E M), high resolution electron microscopy (H R E M), micro diffraction and X-ray energy dispersive spectroscopy (E D S). Structural changes in Cu-Zn-Al b phase into a closed packed structure were induced by Cu ion implantation.The closed packed structures depend on the irradiation fluence.Based on these results, the interface between these structures (closed packed and b) and the stability of disordered phases were analyzed. It was also compared the evolution of long range order in the Cu-Zn-Al and in the Cu-Zn-Al-Ni b phase as a function of fluence.The evolution of the g phase was also compared. Both results were discussed in terms of the mobility of irradiation induced point defects.Finally, the effects induced by swift heavy ions in b phase and 18 R martensite were studied. The results of the irradiation in b phase were qualitatively similar to those produced by irradiation with lower energies. On the contrary, nano metric defects were found in the irradiated 18 R martensite.These defects were characterized by H R E M.The characteristic contrast of the defects was associated to a local change in the

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

Science.gov (United States)

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

Device to remove hydrogen isotopes from a gas phase

International Nuclear Information System (INIS)

Morlock, G.; Wiesemes, J.; Bachner, D.

1977-01-01

The device described here guarantees the selective removal of hydrogen isotopes from gas phases in order to prevent the occurence of explosive H 2 gas mixtures, or to separate off radioactive tritium in nuclear plants from the gas phase. It consists of a closed container whose walls are selectively penetrable by hydrogen isotopes. It is simultaneously filled compactly and presssure-resistant with a metal bulk (e.g. powder, sponges or the like of titanium or other hydrogen isotope binding metal). Walling and bulk are maintained at suitable working temperatures by means of a system according to the Peltier effect. The whole thing is safeguarded by protective walling. (RB) [de

On the stability of localized drift modes in the boundary layers of high density gas insulated plasmas

International Nuclear Information System (INIS)

Ohlsson, D.

1977-11-01

Gas blanket systems are of interest for mainly two reasons. First, plasma wall interaction effects are expected to be considerably reduced due to the presence of the surrounding neutral gas. Consequently the impurity radiation due to impurities originating from plasma wall interaction processes is probably eliminated to a large extent. Second, the fueling of a future thermonuclear reactor can take place in a natural way in gas blanket systems in the sense that neutrals can diffuse inwards at a suitable rate to replace burnt fuel under certain conditions. In this analysis we consider certain stability aspects of plasmas surrounded by neutral gas. In particular we consider the stability of localized collisional drift modes, in the cool partially ionized boundary regions. In these regions large pressure gradients are expected due to plasma neutral gas interaction effects. It is concluded that stability is possible within certain parameter ranges due to the presence of several stabilizing effects associated with finite Larmor radius and viscosity effects and coupling between dissipative effects directly or indirectly connected with plasma neutral gas interaction processes

Liquid-gas phase transition and isospin fractionation in intermediate energy heavy ion collisions

International Nuclear Information System (INIS)

Xing Yongzhong; Liu Jianye; Guo Wenjun

2004-01-01

The liquid-gas phase transition in the heavy ion collisions and nuclear matter has been an important topic and got achievements, such as, based on the studies by H.Q. Song et al the critical temperature of liquid-gas phase transition enhances with increasing the mass of system and reduces as the increase of the neutron proton ratio of system. As authors know that both the liquid-gas phase transition and the isospin fractionation occur in the spinodal instability region at the nuclear density below the normal nuclear density. In particular, these two dynamical processes lead to the separation of nuclear matter into the liquid phase and gas phase. In this case to compare their dynamical behaviors is interested. The authors investigate the dependence of isospin fractionation degree on the mass and neutron proton ratio of system by using the isospin dependent quantum molecular dynamics model. The authors found that the degree of isospin fractionation (N/Z) n /(N/Z) imf decreases with increasing the mass of the system. This is just similar to the enhance of the critical temperature of liquid-gas phase transition T c as the increase of system mass. Because the enhance of T c is not favorable for the liquid-gas transition taking place, which reduces the isospin fractionation process and leads to decrease of (N/Z) n /(N/Z) imf . However the degree of isospin fractionation enhances with increasing the neutron proton ratio of the system. It is just corresponding to the reduce of T c of the liquid-gas phase transition as the increase of the isospin fractionation of the system. Because the reduce of T c enhances the liquid-gas phase transition process and also prompts the isospin fractionation process leading the increase of the isospin fractionation degree. To sum up, there are very similar dynamical behaviors for the degree of isospin fractionation and the critical temperature of the liquid-gas phase transition. So dynamical properties of the liquid-gas phase transition can

SVOC partitioning between the gas phase and settled dust indoors

Science.gov (United States)

Weschler, Charles J.; Nazaroff, William W.

2010-09-01

Semivolatile organic compounds (SVOCs) are a major class of indoor pollutants. Understanding SVOC partitioning between the gas phase and settled dust is important for characterizing the fate of these species indoors and the pathways by which humans are exposed to them. Such knowledge also helps in crafting measurement programs for epidemiological studies designed to probe potential associations between exposure to these compounds and adverse health effects. In this paper, we analyze published data from nineteen studies that cumulatively report measurements of dustborne and airborne SVOCs in more than a thousand buildings, mostly residences, in seven countries. In aggregate, measured median data are reported in these studies for 66 different SVOCs whose octanol-air partition coefficients ( Koa) span more than five orders of magnitude. We use these data to test a simple equilibrium model for estimating the partitioning of an SVOC between the gas phase and settled dust indoors. The results demonstrate, in central tendency, that a compound's octanol-air partition coefficient is a strong predictor of its abundance in settled dust relative to its gas phase concentration. Using median measured results for each SVOC in each study, dustborne mass fractions predicted using Koa and gas-phase concentrations correlate reasonably well with measured dustborne mass fractions ( R2 = 0.76). Combined with theoretical understanding of SVOC partitioning kinetics, the empirical evidence also suggests that for SVOCs with high Koa values, the mass fraction in settled dust may not have sufficient time to equilibrate with the gas phase concentration.

Infrared spectroscopy of gas-phase clusters using a free-electron laser

International Nuclear Information System (INIS)

Heijnsbergen, D. van; Helden, G. von; Meijer, G.

2002-01-01

Most clusters produced in the gas phase, especially those containing metals, remain largely uncharaterized, among these are transition metal - carbide, -oxide and -nitride clusters. A method for recording IR spectra of strongly bound gas-phase clusters is presented. It is based on a free-electron laser called Felix, characterized by wide wavelength tuning range, covering almost the full 'molecular finger print' region, high power and fluence which make it suited to excite gas-phase species i.e. gas -phase clusters. Neutral clusters were generated by laser vaporization technique, ions that were created after the interaction with the free-electron laser were analyzed in a flight mass spectrometer. Experiments were run with titanium carbide clusters and their IR spectra given. It was shown that this method is suited to strongly bound clusters with low ionization energies, a condition met for many pure metal clusters and metal compound clusters. (nevyjel)

Phase evolution and thermal properties of yttria-stabilized hafnia nano-coatings deposited on alumina

Science.gov (United States)

Rubio, Ernesto Javier

High-temperature coatings are critical to the future power-generation systems and industries. Thermal barrier coatings (TBCs), which are usually the ceramic materials applied as thin coatings, protect engine components and allow further increase in engine temperatures for higher efficiency. Thus, the durability and reliability of the coating systems have to be more robust compared to current natural gas based engines. While a near and mid-term target is to develop TBC architecture with a 1300 °C surface temperature tolerance, a deeper understanding of the structure evolution and thermal behavior of the TBC-bond coat interface, specifically the thermally grown oxide (TGO), is of primary importance. In the present work, attention is directed towards yttria-stabilized hafnia (YSH) coatings on alumina (α-Al2O 3) to simulate the TBC-TGO interface and understand the phase evolution, microstructure and thermal oxidation of the coatings. YSH coatings were grown on α-Al2O3 substrates by sputter deposition by varying coating thickness in a wide range ˜30-1000 nm. The effect of coating thickness on the structure, morphology and the residual stress has been investigated using X-ray diffraction (XRD) and high resolution scanning electron microscopy (SEM). Thermal oxidation behavior of the coatings has been evaluated using the isothermal oxidation measurements under static conditions. X-ray diffraction analyses revealed the existence of monoclinic hafnia phase for relatively thin coatings indicating that the interfacial phenomena are dominant in phase stabilization. The evolution towards pure stabilized cubic phase of hafnia with the increasing coating thickness is observed. The SEM results indicate the changes in morphology of the coatings; the average grain size increases from 15 to 500 nm with increasing thickness. Residual stress was calculated employing XRD using the variable ψ-angle. Relation between residual stress and structural change is also studied. The results

Gas phase decontamination of gaseous diffusion process equipment

International Nuclear Information System (INIS)

Bundy, R.D.; Munday, E.B.; Simmons, D.W.; Neiswander, D.W.

1994-01-01

D ampersand D of the process facilities at the gaseous diffusion plants (GDPs) will be an enormous task. The EBASCO estimate places the cost of D ampersand D of the GDP at the K-25 Site at approximately $7.5 billion. Of this sum, nearly $4 billion is associated with the construction and operation of decontamination facilities and the dismantlement and transport of contaminated process equipment to these facilities. In situ long-term low-temperature (LTLT) gas phase decontamination is being developed and demonstrated at the K-25 site as a technology that has the potential to substantially lower these costs while reducing criticality and safeguards concerns and worker exposure to hazardous and radioactive materials. The objective of gas phase decontamination is to employ a gaseous reagent to fluorinate nonvolatile uranium deposits to form volatile LJF6, which can be recovered by chemical trapping or freezing. The LTLT process permits the decontamination of the inside of gas-tight GDP process equipment at room temperature by substituting a long exposure to subatmospheric C1F for higher reaction rates at higher temperatures. This paper outlines the concept for applying LTLT gas phase decontamination, reports encouraging laboratory experiments, and presents the status of the design of a prototype mobile system. Plans for demonstrating the LTLT process on full-size gaseous diffusion equipment are also outlined briefly

Local gas- and liquid-phase measurements for air-water two-phase flows in a rectangular channel

International Nuclear Information System (INIS)

Zhou, X.; Sun, X.; Williams, M.; Fu, Y.; Liu, Y.

2014-01-01

Local gas- and liquid-phase measurements of various gas-liquid two-phase flows, including bubbly, cap-bubbly, slug, and churn-turbulent flows, were performed in an acrylic vertical channel with a rectangular cross section of 30 mm x 10 mm and height of 3.0 m. All the measurements were carried out at three measurement elevations along the flow channel, with z/D h = 9, 72, and 136, respectively, to study the flow development. The gas-phase velocity, void fraction, and bubble number frequency were measured using a double-sensor conductivity probe. A high-speed imaging system was utilized to perform the flow regime visualization and to provide additional quantitative information of the two-phase flow structure. An image processing scheme was developed to obtain the gas-phase velocity, void fraction, Sauter mean diameter, bubble number density, and interfacial area concentration. The liquid-phase velocity and turbulence measurements were conducted using a particle image velocimetry-planar laser-induced fluorescence (PIV-PLIF) system, which enables whole-field and high-resolution data acquisition. An optical phase separation method, which uses fluorescent particles and optical filtration technique, is adopted to extract the velocity information of the liquid phase. An image pre-processing scheme is imposed on the raw PIV images acquired to remove noises due to the presence of bubble residuals and optically distorted particles in the images captured by the PIV-PLIF system. Due to the better light access and less bubble distortion in the narrow rectangular channel, the PIV-PLIF system were able to perform reasonably well in flows of even higher void fractions as compared to the situations with circular pipe test sections. The flow conditions being studied covered various flow regime transitions, void fractions, and liquid-phase flow Reynolds numbers. The obtained experimental data can also be used to validate two-phase CFD results. (author)

Aging and Phase Stability of Waste Package Outer Barrier

Energy Technology Data Exchange (ETDEWEB)

Tammy S. Edgecumble Summers

2001-08-23

This Analysis Model Report (AMR) was prepared in accordance with the Work Direction and Planning Document, ''Aging and Phase Stability of Waste Package Outer Barrier'' (CRWMS M&O 1999a). ICN 01 of this AMR was developed following guidelines provided in TWP-MGR-MD-000004 REV 01, ''Technical Work Plan for: Integrated Management of Technical Product Input Department'' (BSC 2001, Addendum B). It takes into consideration the Enhanced Design Alternative II (EDA II), which has been selected as the preferred design for the Engineered Barrier System (EBS) by the License Application Design Selection (LADS) program team (CRWMS M&O 1999b). The salient features of the EDA II design for this model are a waste package (WP) consisting of an outer barrier of Alloy 22 and an inner barrier of Type 316L stainless steel. This report provides information on the phase stability of Alloy 22l, the current waste-package-outer-barrier (WPOB) material. These phase stability studies are currently divided into three general areas: (1) Long-range order reactions; (2) Intermetallic and carbide precipitation in the base metal; and (3) Intermetallic and carbide precipitation in welded samples.

Reducing greenhouse gas emissions for climate stabilization: framing regional options.

Science.gov (United States)

Olabisi, Laura Schmitt; Reich, Peter B; Johnson, Kris A; Kapuscinski, Anne R; Su, Sangwon H; Wilson, Elizabeth J

2009-03-15

The Intergovernmental Panel on Climate Change (IPCC) has stated that stabilizing atmospheric CO2 concentrations will require reduction of global greenhouse gas (GHG) emissions by as much as 80% by 2050. Subnational efforts to cut emissions will inform policy development nationally and globally. We projected GHG mitigation strategies for Minnesota, which has adopted a strategic goal of 80% emissions reduction by 2050. A portfolio of conservation strategies, including electricity conservation, increased vehicle fleet fuel efficiency, and reduced vehicle miles traveled, is likely the most cost-effective option for Minnesota and could reduce emissions by 18% below 2005 levels. An 80% GHG reduction would require complete decarbonization of the electricity and transportation sectors, combined with carbon capture and sequestration at power plants, or deep cuts in other relatively more intransigent GHG-emitting sectors. In order to achieve ambitious GHG reduction goals, policymakers should promote aggressive conservation efforts, which would probably have negative net costs, while phasing in alternative fuels to replace coal and motor gasoline over the long-term.

Reducing greenhouse gas emissions for climate stabilization: framing regional options

Energy Technology Data Exchange (ETDEWEB)

Laura Schmitt Olabisi; Peter B. Reich; Kris A. Johnson; Anne R. Kapuscinski; Sangwon Suh; Elizabeth J. Wilson [University of Minnesota, Saint Paul, MN (United States). Ecosystem Science and Sustainability Initiative

2009-03-15

The Intergovernmental Panel on Climate Change (IPCC) has stated that stabilizing atmospheric CO{sub 2} concentrations will require reduction of global greenhouse gas (GHG) emissions by as much as 80% by 2050. Subnational efforts to cut emissions will inform policy development nationally and globally. We projected GHG mitigation strategies for Minnesota, which has adopted a strategic goal of 80% emissions reduction by 2050. A portfolio of conservation strategies, including electricity conservation, increased vehicle fleet fuel efficiency, and reduced vehicle miles traveled, is likely the most cost-effective option for Minnesota and could reduce emissions by 18% below 2005 levels. An 80% GHG reduction would require complete decarbonization of the electricity and transportation sectors, combined with carbon capture and sequestration at power plants, or deep cuts in other relatively more intransigent GHG-emitting sectors. In order to achieve ambitious GHG reduction goals, policymakers should promote aggressive conservation efforts, which would probably have negative net costs, while phasing in alternative fuels to replace coal and motor gasoline over the long-term. 31 refs., 3 figs., 1 tab.

Demonstration of Femtosecond-Phase Stabilization in 2 km Optical Fiber

International Nuclear Information System (INIS)

Staples, J.W.; Wilcox, R.; Byrd, J.M.

2007-01-01

Long-term phase drifts of less than a femtosecond per hour have been demonstrated in a 2 km length of single-mode optical fiber, stabilized interferometrically at 1530 nm. Recent improvements include a wide-band phase detector that reduces the possibility of fringe jumping due to fast external perturbations of the fiber and locking of the master CW laser wavelength to an atomic absorption line. Mode-locked lasers may be synchronized using two wavelengths of the comb, multiplexed over one fiber, each wavelength individually interferometrically stabilized

Biofilm structure and mass transfer in a gas phase trickle-bed biofilter.

Science.gov (United States)

Zhu, X; Suidan, M T; Alonso, C; Yu, T; Kim, B J; Kim, B R

2001-01-01

Mass transport phenomena occurring in the biofilms of gas phase trickle-bed biofilters are investigated in this study. The effect of biofilm structure on mass transfer mechanisms is examined using experimental observation from the operating of biofilters, microelectrode techniques and microscopic examination. Since the biofilms of biofilters used for waste gas treatment are not completely saturated with water, there is not a distinguishable liquid layer outside the biofilm. Results suggest that due to this characteristic, gas phase substrates (such as oxygen or volatile organic compounds) may not be limited by the aqueous phase because transport of the compound into the biofilm can occur directly through non-wetted areas. On the other hand, for substrates that are present only in the liquid phase, such as nitrate, the mass transfer limitation is more serious because of the limited liquid supply. Microscopic observations show that a layered structure with void spaces exists within the biofilm. Oxygen concentration distributions along the depth of the biofilms are examined using an oxygen microelectrode. Results indicate that there are some high dissolved oxygen zones inside the biofilm, which suggests the existence of passages for oxygen transfer into the deeper sections of the biofilm in a gas phase trickle-bed biofilter. Both the low gas-liquid mass transfer resistance and the resulting internal structure contribute to the high oxygen penetration within the biofilms in gas phase trickle-bed biofilters.

Long-lived gas-phase radicals from combustion

Energy Technology Data Exchange (ETDEWEB)

Kaneko, Takashi; Furusawa, Koji; Amano, Toshiji; Okubo, Yoichi; Tsuchiya, Jun' ichi; Yoshizawa, Fujiroku; Akutsu, Yoshiaki; Tamura, Masamitsu; Yoshida, Tadao (Univ. of Tokyo (Japan))

1989-04-20

On indoor air pollution or fire, it is feared that the gas-phase radicals from the combustion of inflammables or fuel seriously exert an influence on the organisms as harmful matter. The gas-phase radicals were studied using the electron spin resonance (ESR) spin-trapping technique. For the spin trap solution, 0.1 mol solution of {alpha}-phenyl-N-t-butylnitron in benzene was used. As a result, apparently long-lived and highly reactive oxygen-centered radicals were detected in the smoke from polyethylene, polypropylene, polystyrene, polymethylmethacrylate, cellulose, kerosene, benzene, acetone, methanol and butylalcohol. It is suggested that the production mechanism for the radicals should be different from olefin-NOx-air system reaction, which is considered for the radicals from cigarette smoke. 11 refs., 6 figs., 2 tabs.

Fischer Indole Synthesis in the Gas Phase, the Solution Phase, and at the Electrospray Droplet Interface.

Science.gov (United States)

Bain, Ryan M; Ayrton, Stephen T; Cooks, R Graham

2017-07-01

Previous reports have shown that reactions occurring in the microdroplets formed during electrospray ionization can, under the right conditions, exhibit significantly greater rates than the corresponding bulk solution-phase reactions. The observed acceleration under electrospray ionization could result from a solution-phase, a gas-phase, or an interfacial reaction. This study shows that a gas-phase ion/molecule (or ion/ion) reaction is not responsible for the observed rate enhancement in the particular case of the Fischer indole synthesis. The results show that the accelerated reaction proceeds in the microdroplets, and evidence is provided that an interfacial process is involved. Graphical Abstract GRAPHICAL ABSTRACT TEXT HERE] -->.

Phase transition in the hadron gas model

International Nuclear Information System (INIS)

Gorenstein, M.I.; Petrov, V.K.; Zinov'ev, G.M.

1981-01-01

A class of statistical models of hadron gas allowing an analytical solution is considered. A mechanism of a possible phase transition in such a system is found and conditions for its occurence are determined [ru

Severe slugging in gas-liquid two-phase pipe flow

NARCIS (Netherlands)

Malekzadeh, R.

2012-01-01

transportation facilities. In an offshore oil and gas production facility, pipeline-riser systems are required to transport two-phase hydrocarbons from subsurface oil and gas wells to a central production platform. Severe slugs reaching several thousands pipe diameters may occur when transporting

Gas Phase Sulfur, Chlorine and Potassium Chemistry in Biomass Combustion

DEFF Research Database (Denmark)

Løj, Lusi Hindiyarti

2007-01-01

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

An active interferometer-stabilization scheme with linear phase control

DEFF Research Database (Denmark)

Andresen, Esben Ravn; Krishnamachari, v v; Potma, E O

2006-01-01

We report a simple and robust computer-based active interferometer stabilization scheme which does not require modulation of the interfering beams and relies on an error signal which is linearly related to the optical path difference. In this setup, a non-collinearly propagating reference laser...... beam stabilizes the interference output of the laser light propagating collinearly through the interferometer. This stabilization scheme enables adjustable phase control with 20 ms switching times in the range from 0.02π radians to 6π radians at 632.8 nm....

Finite size effects in liquid-gas phase transition of asymmetric nuclear matter

International Nuclear Information System (INIS)

Pawlowski, P.

2001-01-01

Full text: Since the nuclear equation of state has been studied in astrophysical context as an element of neutron star or super-nova theories - a call for an evidence was produced in experimental nuclear physics. Heavy-ion collisions became a tool of study on thermodynamic properties of nuclear matter. A particular interest has been inspired here by critical behavior of nuclear systems, as a phase transition of liquid-gas type. A lot of efforts was put to obtain an experimental evidence of such a phenomenon in heavy-ion collisions. With the use of radioactive beams and high performance identification systems in a near future it will be possible to extend experimental investigation to asymmetric nuclear systems, where neutron-to-proton ratio is far from the stability line. This experimental development needs a corresponding extension of theoretical studies. To obtain a complete theory of the liquid-gas phase transition in small nuclear systems, produced in violent heavy-ion collisions, one should take into account two facts. First, that the nuclear matter forming nuclei is composed of protons and neutrons; this complicates the formalism of phase transitions because one has to deal with two separate, proton and neutron, densities and chemical potentials. The second and more important is that the surface effects are very strong in a system composed of a few hundreds of nucleons. This point is especially difficult to hold, because surface becomes an additional, independent state parameter, depending strongly on the geometrical configuration of the system, and introducing a non-local term in the equation of state. In this presentation we follow the recent calculation by Lee and Mekjian on the finite-size effects in small (A = 10 2 -10 3 ) asymmetric nuclear systems. A zero-range isospin-dependent Skyrme force is used to obtain a density and isospin dependent potential. The potential is then completed by additional terms giving contributions from surface and Coulomb

Thermal stability and primary phase of Al-Ni(Cu)-La amorphous alloys

International Nuclear Information System (INIS)

Huang Zhenghua; Li Jinfu; Rao Qunli; Zhou Youhe

2008-01-01

Thermal stability and primary phase of Al 85+x Ni 9-x La 6 (x = 0-6) and Al 85 Ni 9-x Cu x La 6 (x = 0-9) amorphous alloys were investigated by X-ray diffraction and differential scanning calorimeter. It is revealed that replacing Ni in the Al 85 Ni 9 La 6 alloy by Cu decreases the thermal stability and makes the primary phase change from intermetallic compounds to single fcc-Al as the Cu content reaches and exceeds 4 at.%. When the Ni and La contents are fixed, replacing Al by Cu increases the thermal stability but also promotes the precipitation of single fcc-Al as the primary phase

Structure and phase stability of a Pu-0.32 wt% Ga alloy

Energy Technology Data Exchange (ETDEWEB)

Wheeler, D.W., E-mail: David.Wheeler@awe.co.uk; Ennaceur, S.M.; Matthews, M.B.; Roussel, P.; Bayer, P.D.

2016-08-01

In plutonium-gallium (Pu-Ga) alloys that have a Ga content of 0.3–0.4 wt%, their readiness to transform to α′ renders them of particular interest in efforts to understand the tenuous nature of δ phase stability. The present study is a comprehensive examination of the structure and phase stability of a cast Pu-0.32 wt% Ga alloy, the Ga content being close to the minimum amount needed to retain the δ phase to ambient temperature. The alloy was characterised in both the as-cast condition as well as following a homogenising heat treatment. The 250-h heat treatment at 450 °C was shown to achieve an apparently stable δ-Pu phase. However, the stability of the δ-Pu phase was shown to be marginal: partial transformation to α′-Pu was observed when the alloy was subjected to hydrostatic compression. Similar transformation was also apparent during metallographic preparation as well as during hardness indentation. The results provide new understanding of the nature of δ phase stability. - Highlights: • New insights into the delta phase stability of a Pu-0.32 wt% Ga alloy. • Density and DSC of as-cast alloy both show α-Pu contents of approximately 30%. • The heat-treated alloy has a largely δ-Pu structure at ambient temperature. • Heat-treated alloy susceptible to δ → α transformation during hardness indentation.

Probing the Binding Interfaces of Protein Complexes Using Gas-Phase H/D Exchange Mass Spectrometry

DEFF Research Database (Denmark)

Mistarz, Ulrik H; Brown, Jeffery M; Haselmann, Kim F

2016-01-01

Fast gas-phase hydrogen/deuterium exchange mediated by ND3 gas and measured by mass spectrometry (gas-phase HDX-MS) is a largely unharnessed, fast, and sensitive method for probing primary- and higher-order polypeptide structure. Labeling of heteroatom-bound non-amide hydrogens in a sub-milliseco......Fast gas-phase hydrogen/deuterium exchange mediated by ND3 gas and measured by mass spectrometry (gas-phase HDX-MS) is a largely unharnessed, fast, and sensitive method for probing primary- and higher-order polypeptide structure. Labeling of heteroatom-bound non-amide hydrogens in a sub......-millisecond time span after electrospray ionization by ND3 gas can provide structural insights into protein conformers present in solution. Here, we have explored the use of gas-phase HDX-MS for probing the higher-order structure and binding interfaces of protein complexes originating from native solution...

Continuous fixed-bed gas-phase hydroformylation using supported ionic liquid-phase (SILP) Rh catalysts

DEFF Research Database (Denmark)

Riisager, Anders; Wasserscheid, Peter; Van Hal, R.

2003-01-01

Continuous flow gas-phase hydroformylation of propene was performed using novel supported ionic liquid-phase (SILP) catalysts containing immobilized Rh complexes of the biphosphine ligand sulfoxantphos in the ionic liquids 1-n-butyl-3-methylimidazolium hexafluorophosphate and halogen-free 1-n-butyl...

HRTEM investigation of phase stability in alumina–zirconia ...

Indian Academy of Sciences (India)

tries, at high temperatures, the small diffusion lengths involved can influence the phase stability. The present work ... a function of nanocrystalline size has been shown by Shukla ... and zirconia on a Si(100) single crystal substrate with differ-.

Stability aspects of plasmas penetrated by neutral gas with respect to velocity driven modes

International Nuclear Information System (INIS)

Ohlsson, D.

1978-08-01

A study of the stability properties of dense partially ionized plasmas immersed in strong magnetic fields with respect to velocity driven modes are presented. First we consider modes driven by mass motion perpendicular to the lines of force and the unperturbed density and temperature gradients. The presence of a third fluid, neutral gas, gives under certain conditions rise to unstable modes. This type of instability arises independently or whether the applied electric field transverse to the lines of force, driving the mass motion, being parallel or antiparallel to the unperturbed density and temperature gradient. The presence of neutral gas also corresponds to stabilizing effects which, in certain parameter regions, result in a quenching of this instability. It is shown that modes driven by velocity shear perpendicular to the lines of force are effectively stabilized by viscous and resistive effects. These effects are in certain parameter ranges strongly enhanced on account of plasma-neutral gas interaction effects. In collisionless plasmas, modes driven by velocity shear parallel to the lines of force are stabilized by compressibility effects parallel to the magnetic field and by finite Larmor radius effects. (author)

Reactive intermediates in the gas phase generation and monitoring

CERN Document Server

Setser, D W

2013-01-01

Reactive Intermediates in the Gas Phase: Generation and Monitoring covers methods for reactive intermediates in the gas phase. The book discusses the generation and measurement of atom and radical concentrations in flow systems; the high temperature flow tubes, generation and measurement of refractory species; and the electronically excited long-lived states of atoms and diatomic molecules in flow systems. The text also describes the production and detection of reactive species with lasers in static systems; the production of small positive ions in a mass spectrometer; and the discharge-excite

Single-step gas phase synthesis of stable iron aluminide nanoparticles with soft magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Vernieres, Jerome, E-mail: Jerome.vernieres@oist.jp; Benelmekki, Maria; Kim, Jeong-Hwan; Grammatikopoulos, Panagiotis; Diaz, Rosa E. [Nanoparticles by Design Unit, Okinawa Institute of Science and Technology (OIST) Graduate University, 1919-1 Tancha, Onna Son, Okinawa 904-0495 (Japan); Bobo, Jean-François [Centre d’Elaboration de Materiaux et d’Etudes Structurales (CEMES), 29 rue Jeanne Marvig, 31055 Toulouse Cedex 4 (France); Sowwan, Mukhles, E-mail: Mukhles@oist.jp [Nanoparticles by Design Unit, Okinawa Institute of Science and Technology (OIST) Graduate University, 1919-1 Tancha, Onna Son, Okinawa 904-0495 (Japan); Nanotechnology Research Laboratory, Al-Quds University, P.O. Box 51000, East Jerusalem, Palestine (Country Unknown)

2014-11-01

Soft magnetic alloys at the nanoscale level have long generated a vivid interest as candidate materials for technological and biomedical purposes. Consequently, controlling the structure of bimetallic nanoparticles in order to optimize their magnetic properties, such as high magnetization and low coercivity, can significantly boost their potential for related applications. However, traditional synthesis methods stumble upon the long standing challenge of developing true nanoalloys with effective control over morphology and stability against oxidation. Herein, we report on a single-step approach to the gas phase synthesis of soft magnetic bimetallic iron aluminide nanoparticles, using a versatile co-sputter inert gas condensation technique. This method allowed for precise morphological control of the particles; they consisted of an alloy iron aluminide crystalline core (DO{sub 3} phase) and an alumina shell, which reduced inter-particle interactions and also prevented further oxidation and segregation of the bimetallic core. Remarkably, the as-deposited alloy nanoparticles show interesting soft magnetic properties, in that they combine a high saturation magnetization (170 emu/g) and low coercivity (less than 20 Oe) at room temperature. Additional functionality is tenable by modifying the surface of the particles with a polymer, to ensure their good colloidal dispersion in aqueous environments.

Improvements in X-band transmitter phase stability through Klystron body temperature regulation

Science.gov (United States)

Perez, R. M.

1992-01-01

This article describes the techniques used and experimental results obtained in improving transmitter stability by control of the klystron body temperature. Related work in the measurement of klystron phase control parameters (pushing factors) is also discussed. The contribution of wave guide temperature excursions to uplink phase stability is presented. Suggestions are made as to the direction of future work in this area.

Phase stability and fracture toughness of t' ZrO2 stabilised with MO1.5 (M=Yb and Gd) for thermal barrier application

International Nuclear Information System (INIS)

Loganathan, Archana; Gandhi, Ashutosh S.

2010-01-01

Thermal Barrier coatings (TBC's) protect the gas turbine blades at high temperature exposure. The t' phase is metastable and slowly transforms to the high-temperature equilibrium state consisting of tetragonal (t) and cubic (c) during high temperature exposure. Nanometric grain size also influences the fracture toughness and t' stability. A comparative study of the phase stability and fracture toughness evolution of Yb and Gd stabilized zirconia with composition 8 mol%MO 1.5 . The t' ZrO 2 -8mol% MO 1.5 (M = Yb and Gd) were prepared by co-precipitation method with crystallite size ∼ 20nm. Spark plasma sintering at 1250 deg C for 10 min was carried out to produce compacts with ∼ 96% relative density for fracture toughness measurements. The dense compacts were heat treated at 1250 deg C upto 192h. XRD studies revealed the partitioning of t' to t+c. No spontaneous monoclinic phase formed during cooling, except after 192h exposure. The fracture toughness of the sintered pellets with various time intervals of thermal exposure was measured. The results were analysed in terms of the effect of phase constitution on fracture toughness. The role of ferroelastic toughening in these materials was explored. (author)

Size and temperature dependent stability and phase transformation in single-crystal zirconium nanowire

International Nuclear Information System (INIS)

Sutrakar, Vijay Kumar; Roy Mahapatra, D.

2011-01-01

A novel size dependent FCC (face-centered-cubic) → HCP (hexagonally-closed-pack) phase transformation and stability of an initial FCC zirconium nanowire are studied. FCC zirconium nanowires with cross-sectional dimensions 20 Å, in which surface stresses are not enough to drive the phase transformation, show meta-stability. In such a case, an external kinetic energy in the form of thermal heating is required to overcome the energy barrier and achieve FCC → HCP phase transformation. The FCC-HCP transition pathway is also studied using Nudged Elastic Band (NEB) method, to further confirm the size dependent stability/metastability of Zr nanowires. We also show size dependent critical temperature, which is required for complete phase transformation of a metastable-FCC nanowire.

Two-phase gas bubble-liquid boundary layer flow along vertical and inclined surfaces

International Nuclear Information System (INIS)

Cheung, F.B.; Epstein, M.

1985-01-01

The behavior of a two-phase gas bubble liquid boundary layer along vertical and inclined porous surfaces with uniform gas injection is investigated experimentally and analytically. Using argon gas and water as the working fluids, a photographical study of the two-phase boundary layer flow has been performed for various angles of inclination ranging from 45 0 to 135 0 and gas injection rates ranging from 0.01 to 0.1 m/s. An integral method has been employed to solve the system of equations governing the two-phase motion. The effects of the gas injection rate and the angle of inclination on the growth of the boundary layer have been determined

Dynamical stability of the alpha and theta phases of alumina

DEFF Research Database (Denmark)

Lodziana, Zbigniew; Parlinski, K.

2003-01-01

Using density functional calculations the phonon dispersion relations, phonon density of states, and free energy of theta and alpha phases of alumina are investigated. The temperature dependence of the free energy indicates that entropy contributes to the destabilization of the alpha phase...... cations in alumina, and suggest that some other than entropic mechanism exists, which stabilizes transition aluminas up to 1400 K. The present calculations go beyond the ground state energy calculations [C. Wolverton and K.C. Hass, Phys. Rev. B 63, 24102 (2001)], and give an additional understanding...... of the stability of transition alumina at finite temperatures....

Computational stability of the Von Neumann--Richtmyer method for the case of the ideal gas law

International Nuclear Information System (INIS)

Hicks, D.L.

1978-07-01

Two stability concepts are of interest for partial difference equations--one arises in theory--the other in practice. The theoretical kind, referred to here as asymptotic stability, is essentially just asymptotic (as Δt, Δx → 0) boundedness of the discrete solution. The other kind, referred to here as computational stability, is stability for a fixed Δt and Δx--computational instability is indicated in practice by oscillatory behavior of the discrete approximation--in particular, oscillations of period 2Δx. This report is concerned with computational stability. Only approximate stability analyses of the von Neumann-Richtmyer scheme have been done for the case of the ideal gas law. Herein a more rigorous computational stability analysis is sought. The analysis leads to a recommendation for the improvement of the time step restriction in WONDY for the case of the ideal gas law

Thermodynamic Stability of Structure H Hydrates Based on the Molecular Properties of Large Guest Molecules

OpenAIRE

Tezuka, Kyoichi; Taguchi, Tatsuhiko; Alavi, Saman; Sum, Amadeu K.; Ohmura, Ryo

2012-01-01

This paper report analyses of thermodynamic stability of structure-H clathrate hydrates formed with methane and large guest molecules in terms of their gas phase molecular sizes and molar masses for the selection of a large guest molecule providing better hydrate stability. We investigated the correlation among the gas phase molecular sizes, the molar masses of large molecule guest substances, and the equilibrium pressures. The results suggest that there exists a molecular-size value for the ...

Measurement of phase interaction in dispersed gas-particle two-phase flow by phase-doppler anemometry

Directory of Open Access Journals (Sweden)

Mergheni Ali Mohamed

2008-01-01

Full Text Available For simultaneous measurement of size and velocity distributions of continuous and dispersed phases in a two-phase flow a technique phase-Doppler anemometry was used. Spherical glass particles with a particle diameter range from 102 up to 212 µm were used. In this two-phase flow an experimental results are presented which indicate a significant influence of the solid particles on the flow characteristics. The height of influence of these effects depends on the local position in the jet. Near the nozzle exit high gas velocity gradients exist and therefore high turbulence production in the shear layer of the jet is observed. Here the turbulence intensity in the two-phase jet is decreased compared to the single-phase jet. In the developed zone the velocity gradient in the shear layer is lower and the turbulence intensity reduction is higher. .

Continuous gas-phase hydroformylation of 1-butene using supported ionic liquid phase (SILP) catalysts

DEFF Research Database (Denmark)

Haumann, Marco; Dentler, Katharina; Joni, Joni

2007-01-01

The concept of supported ionic liquid phase (SILP) catalysis has been extended to 1-butene hydroformylation. A rhodium-sulfoxantphos complex was dissolved in [BMIM][n-C8H17OSO3] and this solution was highly dispersed on silica. Continuous gas-phase experiments in a fixed-bed reactor revealed...

Two-phase gas bubble-liquid boundary layer flow along vertical and inclined surfaces

International Nuclear Information System (INIS)

Cheung, F.B.; Epstein, M.

1985-01-01

The behavior of a two-phase gas bubble-liquid boundary layer along vertical and inclined porous surfaces with uniform gas injection is investigated experimentally and analytically. Using argon gas and water as the working fluids, a photographical study of the two-phase boundary layer flow has been performed for various angles of inclination ranging from 45 0 to 135 0 and gas injection rates ranging from 0.01 to 0.1 m/s. An integral method has been employed to solve the system of equations governing the two-phase motion. The effects of the gas injection rate and the angle of inclination on the growth of the boundary layer have been determined. The predicted boundary layer thickness is found to be in good agreement with the experimental results. The calculated axial liquid velocity and the void fraction in the two-phase region are also presented along with the observed flow behavior

Low-energy electron-induced dissociation in gas-phase nicotine, pyridine, and methyl-pyrrolidine

Science.gov (United States)

Ryszka, Michal; Alizadeh, Elahe; Li, Zhou; Ptasińska, Sylwia

2017-09-01

Dissociative electron attachment to nicotine, pyridine, and N-methyl-pyrrolidine was studied in the gas phase in order to assess their stability with respect to low-energy electron interactions. Anion yield curves for different products at electron energies ranging from zero to 15 eV were measured, and the molecular fragmentation pathways were proposed. Nicotine does not form a stable parent anion or a dehydrogenated anion, contrary to other biological systems. However, we have observed complex dissociation pathways involving fragmentation at the pyrrolidine side accompanied by isomerization mechanisms. Combining structure optimization and enthalpy calculations, performed with the Gaussian09 package, with the comparison with a deuterium-labeled N-methyl-d3-pyrrolidine allowed for the determination of the fragmentation pathways. In contrast to nicotine and N-methylpyrrolidine, the dominant pathway in dissociative electron attachment to pyridine is the loss of hydrogen, leading to the formation of an [M—H]- anion. The presented results provide important new information about the stability of nicotine and its constituent parts and contribute to a better understanding of the fragmentation mechanisms and their effects on the biological environment.

Electronic structure and phase stability during martensitic transformation in Al-doped ZrCu intermetallics

International Nuclear Information System (INIS)

Qiu Feng; Shen Ping; Liu Tao; Lin Qiaoli; Jiang Qichuan

2010-01-01

Martensitic transformation, phase stability and electronic structure of Al-doped ZrCu intermetallics were investigated by experiments and first-principles calculations using the pseudopotentials plane wave method. The formation energy calculations indicate that the stability of the ZrCu phase increases with the increasing Al content. Al plays a decisive role in controlling the formation and microstructures of the martensite phases in Zr-Cu-Al alloys. The total energy difference between ZrCu (B2) austenite and ZrCu martensite plays an important role in the martensitic transformation. The phase stability is dependent on its electronic structure. The densities of states (DOS) of the intermetallics were discussed in detail.

Two-phase xenon detector with gas amplification and electroluminescent signal detection

International Nuclear Information System (INIS)

Akimov, D.Yu.; Burenkov, A.A.; Grishkin, Yu.L.; Kovalenko, A.G.; Lebedenko, V.N.; Stekhanov, V.N.

2008-01-01

An optical technique for detecting ionization electrons produced during ionization of the liquid phase has been experimentally tested in two-phase (liquid-gas) xenon. The effects of gas and electroluminescent amplifications at the wire anode are simultaneously used for detection. This method allows construction of a supersensitive detector of small ionization signals-down to those corresponding to the detection of single electrons [ru

Stability of uranium(VI) doped CSH phases in high saline water

Energy Technology Data Exchange (ETDEWEB)

Wolter, Jan-Martin; Schmeide, Katja [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes

2017-06-01

To evaluate the long-term stability of U(VI) doped calcium silicate hydrate (CSH) phases at high saline conditions, leaching experiments with NaCl, NaCl/Na{sub 2}SO{sub 4} and NaCl/NaHCO{sub 3} containing solutions were performed. Time-resolved laser-induced fluorescence spectroscopy (TRLFS), infrared spectroscopy (IR) and X-ray powder diffraction (XRD) were applied to study the U(VI) binding onto the CSH phases and to get a deeper understanding of structural changes due to leaching. Results indicate that neither NaCl nor Na{sub 2}SO{sub 4} affect the structural stability of CSH phases and their retention potential for U(VI). However, carbonate containing solutions lead to a decomposition of CSH phases and thus, to a release of incorporated uranium.

Homolytic iodination and nitration of some benzene derivatives in the gas phase

International Nuclear Information System (INIS)

Vonk, W.F.M.

1980-01-01

Two gas phase reactions, involving the iodination and nitration of benzene derivatives, are described. The experimental techniques of the apparatus and the methods used are outlined. The kinetic H/D isotope effect in the gas phase nitration of benzene with NO 2 is determined. (C.F.)

Phase-aware echocardiogram stabilization using keyframes.

Science.gov (United States)

Wu, Hui; Huynh, Toan T; Souvenir, Richard

2017-01-01

This paper presents an echocardiogram stabilization method designed to compensate for unwanted auxilliary motion. Echocardiograms contain both deformable cardiac motion and approximately rigid motion due to a number of factors. The goal of this work is to stabilize the video, while preserving the informative deformable cardiac motion. Our approach incorporates synchronized side information, extracted from electrocardiography (ECG), which provides a proxy for cardiac phase. To avoid the computational expense of pairwise alignment, we propose an efficient strategy for keyframe selection, formulated as a submodular optimization problem. We evaluate our approach quantitatively on synthetic data and demonstrate its benefit as a preprocessing step for two common echocardiogram applications: denoising and left ventricle segmentation. In both cases, preprocessing with our method improved the performance compared to no preprocessing or other alignment approaches. Copyright © 2016 Elsevier B.V. All rights reserved.

Constructing a unique two-phase compressibility factor model for lean gas condensates

Energy Technology Data Exchange (ETDEWEB)

Moayyedi, Mahmood; Gharesheikhlou, Aliashghar [Research Institute of Petroleum Industry (RIPI), Tehran (Iran, Islamic Republic of); Azamifard, Arash; Mosaferi, Emadoddin [Amirkabir University of Technology (AUT), Tehran (Iran, Islamic Republic of)

2015-02-15

Generating a reliable experimental model for two-phase compressibility factor in lean gas condensate reservoirs has always been demanding, but it was neglected due to lack of required experimental data. This study presents the main results of constructing the first two-phase compressibility factor model that is completely valid for Iranian lean gas condensate reservoirs. Based on a wide range of experimental data bank for Iranian lean gas condensate reservoirs, a unique two-phase compressibility factor model was generated using design of experiments (DOE) method and neural network technique (ANN). Using DOE, a swift cubic response surface model was generated for two-phase compressibility factor as a function of some selected fluid parameters for lean gas condensate fluids. The proposed DOE and ANN models were finally validated using four new independent data series. The results showed that there is a good agreement between experimental data and the proposed models. In the end, a detailed comparison was made between the results of proposed models.

Constructing a unique two-phase compressibility factor model for lean gas condensates

International Nuclear Information System (INIS)

Moayyedi, Mahmood; Gharesheikhlou, Aliashghar; Azamifard, Arash; Mosaferi, Emadoddin

2015-01-01

Generating a reliable experimental model for two-phase compressibility factor in lean gas condensate reservoirs has always been demanding, but it was neglected due to lack of required experimental data. This study presents the main results of constructing the first two-phase compressibility factor model that is completely valid for Iranian lean gas condensate reservoirs. Based on a wide range of experimental data bank for Iranian lean gas condensate reservoirs, a unique two-phase compressibility factor model was generated using design of experiments (DOE) method and neural network technique (ANN). Using DOE, a swift cubic response surface model was generated for two-phase compressibility factor as a function of some selected fluid parameters for lean gas condensate fluids. The proposed DOE and ANN models were finally validated using four new independent data series. The results showed that there is a good agreement between experimental data and the proposed models. In the end, a detailed comparison was made between the results of proposed models

Reactions of newly formed fission products in the gas phase

International Nuclear Information System (INIS)

Strickert, R.G.

1976-01-01

A dynamic gas-flow system was constructed which stopped fission products in the gas phase and rapidly separated (in less than 2 sec) volatile compounds from non-volatile ones. The filter assembly designed and used was shown to stop essentially all non-volatile fission products. Between 5 percent and 20 percent of tellurium fission-product isotopes reacted with several hydrocarbon gases to form volatile compounds, which passed through the filter. With carbon monoxide gas, volatile tellurium compound(s) (probably TeCO) were also formed with similar efficiencies. The upper limits for the yields of volatile compounds formed between CO and tin and antimony fission products were shown to be less than 0.3 percent, so tellurium nuclides, not their precursors, reacted with CO. It was found that CO reacted preferentially with independently produced tellurium atoms; the reaction efficiency of beta-produced atoms was only 27 +- 3 percent of that of the independently formed atoms. The selectivity, which was independent of the over-all reaction efficiency, was shown to be due to reaction of independently formed atoms in the gas phase. The gas phase reactions are believed to occur mainly at thermal energies because of the independence of the yield upon argon moderator mole-fraction (up to 80 percent). It was shown in some experiments that about one-half of the TeCO decomposed in passing through a filter and that an appreciable fraction (approximately 20 percent) of the tellurium atoms deposited on the filter reacted agin with CO. Other tellurium atoms on the filter surface (those formed by beta decay and those formed independently but not reacting in the gas phase) also reacted with CO, but probably somewhat less efficiently than atoms formed by TeCO decomposition. No evidence was found for formation of TeCO as a direct result of beta-decay

Role of isospin in nuclear-matter liquid-gas phase transition

International Nuclear Information System (INIS)

Ducoin, C.

2006-10-01

Nuclear matter presents a phase transition of the liquid-gas type. This well-known feature is due to the nuclear interaction profile (mean-range attractive, short-range repulsive). Symmetric-nuclear-matter thermodynamics is thus analogous to that of a Van der Waals fluid. The study shows up to be more complex in the case of asymmetric matter, composed of neutrons and protons in an arbitrary proportion. Isospin, which distinguishes both constituents, gives a measure of this proportion. Studying asymmetric matter, isospin is an additional degree of freedom, which means one more dimension to consider in the space of observables. The nuclear liquid-gas transition is associated with the multi-fragmentation phenomenon observed in heavy-ion collisions, and to compact-star physics: the involved systems are neutron rich, so they are affected by the isospin degree of freedom. The present work is a theoretical study of isospin effects which appear in the asymmetric nuclear matter liquid-gas phase transition. A mean-field approach is used, with a Skyrme nuclear effective interaction. We demonstrate the presence of a first-order phase transition for asymmetric matter, and study the isospin distillation phenomenon associated with this transition. The case of phase separation at thermodynamic equilibrium is compared to spinodal decomposition. Finite size effects are addressed, as well as the influence of the electron gas which is present in the astrophysical context. (author)

Mixed Finite Element Simulation with Stability Analysis for Gas Transport in Low-Permeability Reservoirs

Directory of Open Access Journals (Sweden)

Mohamed F. El-Amin

2018-01-01

Full Text Available Natural gas exists in considerable quantities in tight reservoirs. Tight formations are rocks with very tiny or poorly connected pors that make flow through them very difficult, i.e., the permeability is very low. The mixed finite element method (MFEM, which is locally conservative, is suitable to simulate the flow in porous media. This paper is devoted to developing a mixed finite element (MFE technique to simulate the gas transport in low permeability reservoirs. The mathematical model, which describes gas transport in low permeability formations, contains slippage effect, as well as adsorption and diffusion mechanisms. The apparent permeability is employed to represent the slippage effect in low-permeability formations. The gas adsorption on the pore surface has been described by Langmuir isotherm model, while the Peng-Robinson equation of state is used in the thermodynamic calculations. Important compatibility conditions must hold to guarantee the stability of the mixed method by adding additional constraints to the numerical discretization. The stability conditions of the MFE scheme has been provided. A theorem and three lemmas on the stability analysis of the mixed finite element method (MFEM have been established and proven. A semi-implicit scheme is developed to solve the governing equations. Numerical experiments are carried out under various values of the physical parameters.

Collision induced dissociation of protonated N-nitrosodimethylamine by ion trap mass spectrometry: Ultimate carcinogens in gas phase

Science.gov (United States)

Kulikova, Natalia; Baker, Michael; Gabryelski, Wojciech

2009-12-01

Collision induced dissociation of protonated N-nitrosodimethylamine (NDMA) and isotopically labeled N-nitrosodimethyl-d6-amine (NDMA-d6) was investigated by sequential ion trap mass spectrometry to establish mechanisms of gas phase reactions leading to intriguing products of this potent carcinogen. The fragmentation of (NDMA + H+) occurs via two dissociation pathways. In the alkylation pathway, homolytic cleavage of the N-O bond of N-dimethyl, N'-hydroxydiazenium ion generates N-dimethyldiazenium distonic ion which reacts further by a CH3 radical loss to form methanediazonium ion. Both methanediazonium ion and its precursor are involved in ion/molecule reactions. Methanediazonium ion showed to be capable of methylating water and methanol molecules in the gas phase of the ion trap and N-dimethyldiazenium distonic ion showed to abstract a hydrogen atom from a solvent molecule. In the denitrosation pathway, a tautomerization of N-dimethyl, N'-hydroxydiazenium ion to N-nitrosodimethylammonium intermediate ion results in radical cleavage of the N-N bond of the intermediate ion to form N-dimethylaminium radical cation which reacts further through [alpha]-cleavage to generate N-methylmethylenimmonium ion. Although the reactions of NDMA in the gas phase are different to those for enzymatic conversion of NDMA in biological systems, each activation method generates the same products. We will show that collision induced dissociation of N-nitrosodiethylamine (NDEA) and N-nitrosodipropylamine (NDPA) is also a feasible approach to gain information on formation, stability, and reactivity of alkylating agents originating from NDEA and NDPA. Investigating such biologically relevant, but highly reactive intermediates in the condensed phase is hampered by the short life-times of these transient species.

Activation of methane by zinc: gas-phase synthesis, structure, and bonding of HZnCH3.

Science.gov (United States)

Flory, Michael A; Apponi, Aldo J; Zack, Lindsay N; Ziurys, Lucy M

2010-12-08

The methylzinc hydride molecule, HZnCH3, has been observed in the gas phase for the first time in the monomeric form using high-resolution spectroscopic techniques. The molecule was synthesized by two methods: the reaction of dimethylzinc with hydrogen gas and methane in an AC discharge and the reaction of zinc vapor produced in a Broida-type oven with methane in a DC discharge. HZnCH3 was identified on the basis of its pure rotational spectrum, which was recorded using millimeter/submillimeter direct-absorption and Fourier transform microwave techniques over the frequency ranges 332-516 GHz and 18-41 GHz, respectively. Multiple rotational transitions were measured for this molecule in seven isotopic variants. K-ladder structure was clearly present in all of the spectra, indicating a molecule with C3v symmetry and a (1)A1 ground electronic state. Extensive quadrupole hyperfine structure arising from the (67)Zn nucleus was observed for the H(67)ZnCH3 species, suggesting covalent bonding to the zinc atom. From the multiple isotopic substitutions, a precise structure for HZnCH3 has been determined. The influence of the axial hydrogen atom slightly distorts the methyl group but stabilizes the Zn-C bond. This study suggests that HZnCH3 can be formed through the oxidative addition of zinc to methane in the gas phase under certain conditions. HZnCH3 is the first metal-methane insertion complex to be structurally characterized.

Gas phase adsorption technology for nitrogen isotope separation and its feasibility for highly enriched nitrogen gas production

International Nuclear Information System (INIS)

Inoue, Masaki; Asaga, Takeo

2000-04-01

Highly enriched nitrogen-15 gas is favorable to reduce radioactive carbon-14 production in reactor. The cost of highly enriched nitrogen-15 gas in mass production is one of the most important subject in nitride fuel option in 'Feasibility Study for FBR and Related Fuel Cycle'. In this work gas phase adsorption technology was verified to be applicable for nitrogen isotope separation and feasible to produce highly enriched nitrogen-15 gas in commercial. Nitrogen isotopes were separated while ammonia gas flows through sodium-A type zeolite column using pressure swing adsorption process. The isotopic ratio of eight samples were measured by high resolution mass spectrometry and Fourier transform microwave spectroscopy. Gas phase adsorption technology was verified to be applicable for nitrogen isotope separation, since the isotopic ratio of nitrogen-15 and nitrogen-14 in samples were more than six times as high as in natural. The cost of highly enriched nitrogen-15 gas in mass production were estimated by the factor method. It revealed that highly enriched nitrogen-15 gas could be supplied in a few hundred yen per gram in mass production. (author)

Method of removing alkyl iodides or mixtures of iodine and alkyl iodides from a gas phase and an aqueous solution phase by utilizing ion exchange resins

International Nuclear Information System (INIS)

Shimizu, Hiroshi; Mizuuchi, Noboru; Yokoyama, Fumio.

1967-01-01

Alkyl iodides and mixtures of iodine and alkyl iodides are removed from a gas phase and an aquous solution phase by using solely an anion exchange resin containing a tertiary amine or together with an anion exchange resin containing quarternary ammonium compound. The resin containing the quarternary ammonium compound is employed mainly to remove iodine, and the resin containing the tertiary amine serves mainly to remove alkyl iodides. The method can be applied to collecting a majority of the methyl iodide as well as the radioactive iodine produced in the atmosphere of a reactor in case of a fuel accident. In embodiments, it is desirable to maintain the sufficient moisture content of the anion exchange resins at a sufficient moisture level so as not to reduce the migration speed of the iodine and alkyl iodides. The iodine and alkyl iodide can be produced with high efficiency and stability independently of the relative humidity of the gas phase. In examples, a solution which consists of 20.5 mg/l of iodine and 42.2mg/l of methyl iodide flew through a column of Amberite IRA-93 alone or blended with IRA-900 at a speed of 15 /hr. respectively. The resins were able to treat 400 times their equivalent in water. (Iwakiri, K.)

Comparison of catalytic ethylene polymerization in slurry and gas phase

OpenAIRE

Daftaribesheli, Majid

2009-01-01

Polyethylene (PE) with the annual consumption of 70 million tones in 2007 is mostly produced in slurry, gas-phase or combination of both processes. This work focuses on a comparison between the slurry and gas phase processes. Why does PE produced in theses two processes can show extremely different properties and extremely different reaction behaviour even if the same Ziegler-Natta (ZN) catalyst is used? Generally, it is known that the reason can be found in the differences of local condition...

The formation of α-phase SnS nanorods by PVP assisted polyol synthesis: Phase stability, micro structure, thermal stability and defects induced energy band transitions

Energy Technology Data Exchange (ETDEWEB)

Baby, Benjamin Hudson; Mohan, D. Bharathi, E-mail: d.bharathimohan@gmail.com

2017-05-01

We report the formation of single phase of SnS nanostructure through PVP assisted polyol synthesis by varying the source concentration ratio (Sn:S) from 1:1M to 1:12M. The effect of PVP concentration and reaction medium towards the preparation of SnS nanostructure is systematically studied through confocal Raman spectrometer, X-ray diffraction, thermogravimetry analysis, scanning electron microscope, transmission electron microscopy, X-ray photoelectron spectroscopy, UV–Vis–NIR absorption and fluorescence spectrophotometers. The surface morphology of SnS nanostructure changes from nanorods to spherical shape with increasing PVP concentration from 0.15M to 0.5M. Raman analysis corroborates that Raman active modes of different phases of Sn-S are highly active when Raman excitation energy is slightly greater than the energy band gap of the material. The presence of intrinsic defects and large number of grain boundaries resulted in an improved thermal stability of 20 °C during the phase transition of α-SnS. Band gap calculation from tauc plot showed the direct band gap of 1.5 eV which is attributed to the single phase of SnS, could directly meet the requirement of an absorber layer in thin film solar cells. Finally, we proposed an energy band diagram for as synthesized single phase SnS nanostructure based on the experimental results obtained from optical studies showing the energy transitions attributed to band edge transition and also due to the presence of intrinsic defects. - Highlights: • PVP stabilizes the orthorhombic (α) phase of SnS. • Optical band gap of P type SnS tuned by PVP for photovoltaic applications. • The formation of Sn rich SnS phase is investigated through XPS analysis. • Intrinsic defects enhance the thermal stability of α-SnS. • The feasibility of energy transition liable to point defects is discussed.

Improved thermal stability of gas-phase Mg nanoparticles for hydrogen storage

NARCIS (Netherlands)

Krishnan, Gopi; Palasantzas, G.; Kooi, B. J.

2010-01-01

This work focuses on improving the thermal stability of Mg nanoparticles (NPs) for use in hydrogen storage. Three ways are investigated that can achieve this goal. (i) Addition of Cu prevents void formation during NP production and reduces the fast evaporation/voiding of Mg during annealing. (ii)

Optical processes in the performance and recovery of gas-phase switches

International Nuclear Information System (INIS)

Gundersen, M.

1982-01-01

In this paper several optical processes that may be used to affect gas-phase switch performance and operation are discussed, and approaches using a laser to increase recovery rates of switches are presented. In the latter the laser is used during the recovery phase rather than the conductive or closure phase. This papper suggests that it should be possible to use a low-power laser (e.g., one that is technologically feasible to use as part of a switch) to assist in opening the switch by quenching excited atomic and/or molecular species. The application of laser-induced energy extraction to gas-phase switches is also discussed

Two-phase flow stability structure in a natural circulation system

Energy Technology Data Exchange (ETDEWEB)

Zhou, Zhiwei [Nuclear Engineering Laboratory Zurich (Switzerland)

1995-09-01

The present study reports a numerical analysis of two-phase flow stability structures in a natural circulation system with two parallel, heated channels. The numerical model is derived, based on the Galerkin moving nodal method. This analysis is related to some design options applicable to integral heating reactors with a slightly-boiling operation mode, and is also of general interest to similar facilities. The options include: (1) Symmetric heating and throttling; (2) Asymmetric heating and symmetric throttling; (3) Asymmetric heating and throttling. The oscillation modes for these variants are discussed. Comparisons with the data from the INET two-phase flow stability experiment have qualitatively validated the present analysis.

Phase stability of silver particles embedded calcium phosphate ...

Indian Academy of Sciences (India)

Abstract. In this paper, we report the compositional variation-dependent phase stability of hydroxyapatite ... material along with other calcium phosphate bioceramics.3–5 ... Model U-3310). ... recorded using a Field Emissio scanning electron microscope .... the colour change of the silver-doped samples only after sin-.

DEMONSTRATION BULLETIN: GAS-PHASE CHEMICAL REDUCTION - ECO LOGIC INTERNATIONAL, INC.

Science.gov (United States)

The patented Eco Logic Process employs a gas-phase reduction reaction of hydrogen with organic and chlorinated organic compounds at elevated temperatures to convert aqueous and oily hazardous contaminants into a hydrocarbon-rich gas product. After passing through a scrubber, the ...

The principle of phase stability and the accelerator program at Berkeley, 1945--1954

International Nuclear Information System (INIS)

Lofgren, E.J.

1994-07-01

The discovery of the Principle of Phase Stability by Vladimir Veksler and Edwin McMillian and the end of the war released a surge of accelerator activity at the Lawrence Berkeley Laboratory (then The University of California Radiation Laboratory). Six accelerators incorporating the Principle of Phase Stability were built in the period 1945--1954

Influence of additives on phase stabilization of scandia-doped zirconia

Energy Technology Data Exchange (ETDEWEB)

Muccillo, Eliana Navarro dos Santos; Grosso, Robson Lopes; Reis, Shirley Leite dos; Muccillo, Reginaldo, E-mail: enavarro@usp.br, E-mail: roblopeg@usp.br, E-mail: shirley.reis@usp.br, E-mail: muccillo@usp.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

2017-04-15

The effects of small additions of tin, zinc, calcium and boron oxides on phase composition and electrical conductivity of zirconia-10 mol% scandia were investigated. Compounds containing 1 mol% zinc, tin and calcium oxides and 1, 3 and 5 wt.% boron oxide were prepared by solid state reaction and characterized by X-ray diffraction, density measurements, scanning electron microscopy and impedance spectroscopy. Full stabilization of the cubic structure at room temperature was obtained with additions of 1 mol% calcium oxide and 2 wt.% boron oxide. Partially stabilized compounds exhibit herringbone structure, characteristic of the β- rhombohedric phase. Specimens with calcium as additive show total conductivity of 23.8 mS.cm{sup -1} at 750 deg C with activation energy of 1.13 eV. Liquid phase sintering by boron oxide addition is effective to enhance the densification of the solid electrolyte. (author)

The electron spectrum of UF6 recorded in the gas phase

Science.gov (United States)

Mârtensson, N.; Malmquist, P.-Å.; Svensson, S.; Johansson, B.

1984-06-01

Gas phase core and valence electron spectra from UF6, excited by AlKα monochromatized x rays, in the binding energy range 0-1000 eV are presented. It is shown that the AlKα excited valence electron spectrum can be used to reassign the highest occupied molecular orbital (HOMO) in UF6. Many-body effects on the core levels are discussed and core level lifetimes are determined. The shift between solid phase and gas phase electron binding energies for core lines is used to discuss the U5 f population in UF6.

Aging and Phase Stability of Waste Package Outer Barrier

Energy Technology Data Exchange (ETDEWEB)

F. Wong

2004-09-28

This report was prepared in accordance with ''Technical Work Plan for: Regulatory Integration Modeling and Analysis of the Waste Form and Waste Package'' (BSC 2004 [DIRS 171583]). This report provides information on the phase stability of Alloy 22, the current waste package outer barrier material. The goal of this model is to determine whether the single-phase solid solution is stable under repository conditions and, if not, how fast other phases may precipitate. The aging and phase stability model, which is based on fundamental thermodynamic and kinetic concepts and principles, will be used to provide predictive insight into the long-term metallurgical stability of Alloy 22 under relevant repository conditions. The results of this model are used by ''General Corrosion and Localized Corrosion of Waste Package Outer Barrier'' as reference-only information. These phase stability studies are currently divided into three general areas: Tetrahedrally close-packed (TCP) phase and carbide precipitation in the base metal; TCP and carbide precipitation in welded samples; and Long-range ordering reactions. TCP-phase and carbide precipitates that form in Alloy 22 are generally rich in chromium (Cr) and/or molybdenum (Mo) (Raghavan et al. 1984 [DIRS 154707]). Because these elements are responsible for the high corrosion resistance of Alloy 22, precipitation of TCP phases and carbides, especially at grain boundaries, can lead to an increased susceptibility to localized corrosion in the alloy. These phases are brittle and also tend to embrittle the alloy (Summers et al. 1999 [DIRS 146915]). They are known to form in Alloy 22 at temperatures greater than approximately 600 C. Whether these phases also form at the lower temperatures expected in the repository during the 10,000-year regulatory period must be determined. The kinetics of this precipitation will be determined for both the base metal and the weld heat-affected zone (HAZ). The TCP

Aging and Phase Stability of Waste Package Outer Barrier

International Nuclear Information System (INIS)

F. Wong

2004-01-01

This report was prepared in accordance with ''Technical Work Plan for: Regulatory Integration Modeling and Analysis of the Waste Form and Waste Package'' (BSC 2004 [DIRS 171583]). This report provides information on the phase stability of Alloy 22, the current waste package outer barrier material. The goal of this model is to determine whether the single-phase solid solution is stable under repository conditions and, if not, how fast other phases may precipitate. The aging and phase stability model, which is based on fundamental thermodynamic and kinetic concepts and principles, will be used to provide predictive insight into the long-term metallurgical stability of Alloy 22 under relevant repository conditions. The results of this model are used by ''General Corrosion and Localized Corrosion of Waste Package Outer Barrier'' as reference-only information. These phase stability studies are currently divided into three general areas: Tetrahedrally close-packed (TCP) phase and carbide precipitation in the base metal; TCP and carbide precipitation in welded samples; and Long-range ordering reactions. TCP-phase and carbide precipitates that form in Alloy 22 are generally rich in chromium (Cr) and/or molybdenum (Mo) (Raghavan et al. 1984 [DIRS 154707]). Because these elements are responsible for the high corrosion resistance of Alloy 22, precipitation of TCP phases and carbides, especially at grain boundaries, can lead to an increased susceptibility to localized corrosion in the alloy. These phases are brittle and also tend to embrittle the alloy (Summers et al. 1999 [DIRS 146915]). They are known to form in Alloy 22 at temperatures greater than approximately 600 C. Whether these phases also form at the lower temperatures expected in the repository during the 10,000-year regulatory period must be determined. The kinetics of this precipitation will be determined for both the base metal and the weld heat-affected zone (HAZ). The TCP phases (P, μ, and σ) are present in

Gas-liquid phase coexistence in a tetrahedral patchy particle model

International Nuclear Information System (INIS)

Romano, Flavio; Tartaglia, Piero; Sciortino, Francesco

2007-01-01

We evaluate the location of the gas-liquid coexistence line and of the associated critical point for the primitive model for water (PMW), introduced by Kolafa and Nezbeda (1987 Mol. Phys. 61 161). Besides being a simple model for a molecular network forming liquid, the PMW is representative of patchy proteins and novel colloidal particles interacting with localized directional short-range attractions. We show that the gas-liquid phase separation is metastable, i.e. it takes place in the region of the phase diagram where the crystal phase is thermodynamically favoured, as in the case of particles interacting via short-range attractive spherical potentials. We do not observe crystallization close to the critical point. The region of gas-liquid instability of this patchy model is significantly reduced as compared to that from equivalent models of spherically interacting particles, confirming the possibility of observing kinetic arrest in a homogeneous sample driven by bonding as opposed to packing. (fast track communication)

Gas hydrates stability zone thickness map of Indian deep offshore areas - A GIS based approach

Digital Repository Service at National Institute of Oceanography (India)

Rastogi, A.; Deka, B.; Bhattacharya, G.C.; Ramprasad, T.; KameshRaju, K.A.; Srinivas, K.; Murty, G.P.S.; Chaubey, A.K.; Ramana, M.V.; Subrahmanyam, V.; Sarma, K.V.L.N.S.; Desa, M.; Paropkari, A.L.; Menezes, A.A.A.; Murty, V.S.N.; Antony, M.K.; SubbaRaju, L.V.; Desa, E.; Veerayya, M.

hydrate occurrence in offshore regions and around the Indian sub-continent. This was accomplished by estimating the gas hydrate stability zone (GHSZ) thickness from the saptial analysis of the physical parameters that control the formation and stability...

Prediction of turbulent mixing rates of both gas and liquid phases between adjacent subchannels in a two-phase slug-churn flow

International Nuclear Information System (INIS)

Kawahara, A.; Sadatomi, M.; Tomino, T.; Sato, Y.

1998-01-01

This paper presents a slug-churn flow model for predicting turbulent mixing rates of both gas and liquid phase between adjacent subchannels in a BWR fuel rod bundle. In the model, the mixing rate of the liquid phase is calculated as the sum of the three components, i.e., turbulent diffusion, convective transfer and pressure difference fluctuations between the subchannels. The compenents of turbulent diffusion and convective transfer are calculated from Sadatomi et al.'s (1996) method, applicable to single-phase turbulent mixing by considering the effect of the increment of liquid velocity due to the presence of gas phase. The component of the pressure difference fluctuations is evaluated from a newly developed correlations. The mixing rate of the gas phase, on the other side, is calculated from a simple relation of mixing rate between gas and liquid phases. The validity of the proposed model has been confirmed with the turbulent mixing rates data of Rudzinski et al. as well as the present authors

Electronic structure theory of alloy phase stability

International Nuclear Information System (INIS)

Turchi, P.E.A.; Sluiter, M.

1992-01-01

We present a brief overview of the advanced methodology which has been developed and applied to the study of phase stability properties in substitutional alloys. The approach is based on the real space version of the Generalized Perturbation Method within the Korringa-Kohn-Rostoker multiple scattering formulation of the Coherent Potential Approximation. Temperature effects are taken into account with a generalized meanfield approach, namely the Cluster Variation Method, or with Monte-Carlo simulations. We show that this approach is well suited for studying ground state properties of substitutional alloys, for calculating energies of idealized interfaces and antiphase boundaries, and finally to compute alloy phase diagrams

Highly Selective Continuous Gas-Phase Methoxycarbonylation of Ethylene with Supported Ionic Liquid Phase (SILP) Catalysts

DEFF Research Database (Denmark)

Khokarale, Santosh Govind; Garcia Suárez, Eduardo José; Fehrmann, Rasmus

2017-01-01

Supported ionic liquid phase (SILP) technology was applied for the first time to the Pd-catalyzed continuous, gas-phase methoxycarbonylation of ethylene to selectively produce methyl propanoate (MP) in high yields. The influence of catalyst and reaction parameters such as, for example, ionic liquid...

Zpif's law in the liquid gas phase transition of nuclei

International Nuclear Information System (INIS)

Ma, Y.G.

1999-01-01

Zpif's law in the field of linguistics is tested in the nuclear disassembly within the framework of isospin dependent lattice gas model. It is found that the average cluster charge (or mass) of rank n in the charge (or mass) list shows exactly inversely to its rank, i.e., there exists Zpif's law, at the phase transition temperature. This novel criterion shall be helpful to search the nuclear liquid gas phase transition experimentally and theoretically. In addition, the finite size scaling of the effective phase transition temperature at which the Zpif's law appears is studied for several systems with different mass and the critical exponents of ν and β are tentatively extracted. (orig.)

Stability of an expanding cylindrical plasma envelope: Rayleigh--Taylor instability

International Nuclear Information System (INIS)

Han, S.J.

1982-01-01

The stability of a cylindrically symmetric plasma envelope driven outward by blast waves is considered. The plasma fluid is assumed to be a compressible, isentropic gas describable as an ideal gas ( p = arho/sup γ/, γ>1). The stability problem of such an envelope undergoing self-similar motion is solved by considering the initial-value problem. It is shown that in the early phase of an expansion, the envelope is unstable to Rayleigh--Taylor modes which develop at the inner surface. In the later phase of the expansion, the Rayleigh--Taylor modes are weakened due to the geometrical divergence effect. The implications of the time-dependent behavior of the Rayleigh--Taylor instability for plasma switches are discussed

Multilayer SnSb4-SbSe Thin Films for Phase Change Materials Possessing Ultrafast Phase Change Speed and Enhanced Stability.

Science.gov (United States)

Liu, Ruirui; Zhou, Xiao; Zhai, Jiwei; Song, Jun; Wu, Pengzhi; Lai, Tianshu; Song, Sannian; Song, Zhitang

2017-08-16

A multilayer thin film, comprising two different phase change material (PCM) components alternatively deposited, provides an effective means to tune and leverage good properties of its components, promising a new route toward high-performance PCMs. The present study systematically investigated the SnSb 4 -SbSe multilayer thin film as a potential PCM, combining experiments and first-principles calculations, and demonstrated that these multilayer thin films exhibit good electrical resistivity, robust thermal stability, and superior phase change speed. In particular, the potential operating temperature for 10 years is shown to be 122.0 °C and the phase change speed reaches 5 ns in the device test. The good thermal stability of the multilayer thin film is shown to come from the formation of the Sb 2 Se 3 phase, whereas the fast phase change speed can be attributed to the formation of vacancies and a SbSe metastable phase. It is also demonstrated that the SbSe metastable phase contributes to further enhancing the electrical resistivity of the crystalline state and the thermal stability of the amorphous state, being vital to determining the properties of the multilayer SnSb 4 -SbSe thin film.

Condensation in gas transmission pipelines. Phase behavior of mixtures of hydrogen with natural gas

Energy Technology Data Exchange (ETDEWEB)

Schouten, J.A.; Michels, J.P.J. [Amsterdam Univ. (Netherlands). Van der Waals-Zeeman Inst.; Rosmalen, R.J. van [Energy, Roden (Netherlands)

2005-05-01

Several pressure and temperature reductions occur along gas transmission lines. Since the pressure and temperature conditions of the natural gas in the pipeline are often close to the dew point curve, liquid dropout can occur. Injection of hydrogen into the natural gas will change the phase envelope and thus the liquid dropout. This condensation of the heavy hydrocarbons requires continuous operational attention and a positive effect of hydrogen may affect the decision to introduce hydrogen. In this paper we report on calculations of the amount of condensate in a natural gas and in this natural gas mixed with 16.7% hydrogen. These calculations have been performed at conditions prevailing in gas transport lines. The results will be used to discuss the difference in liquid dropout in a natural gas and in a mixture with hydrogen at pressure reduction stations, at crossings under waterways, at side-branching, and at separators in the pipelines. (author)

Stability investigations of relaxing molecular gas flows. Results and perspectives

Science.gov (United States)

Grigor'ev, Yurii N.; Ershov, Igor V.

2017-10-01

This article presents results of systematic investigations of a dissipative effect which manifests itself as the growth of hydrodynamic stability and suppression of turbulence in relaxing molecular gas flows. The effect can be a new way for control stability and laminar turbulent transition in aerodynamic flows. The consideration of suppression of inviscid acoustic waves in 2D shear flows is presented. Nonlinear evolution of large-scale vortices and Kelvin — Helmholtz waves in relaxing shear flows are studied. Critical Reynolds numbers in supersonic Couette flows are calculated analytically and numerically within the framework of both classical linear and nonlinear energy hydrodynamic stability theories. The calculations clearly show that the relaxation process can appreciably delay the laminar-turbulent transition. The aim of this article is to show the new dissipative effect, which can be used for flow control and laminarization.

Importance of the gas phase role to the prediction of energetic material behavior: An experimental study

International Nuclear Information System (INIS)

Ali, A.N.; Son, S.F.; Asay, B.W.; Sander, R.K.

2005-01-01

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 6 mm±0.4 mm exists below which ignition by CO 2 laser is not possible at the tested irradiances of 29 W/cm 2 and 38 W/cm 2 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

Importance of the gas phase role to the prediction of energetic material behavior: An experimental study

Science.gov (United States)

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.

Conformational preferences of γ-aminobutyric acid in the gas phase and in water

Science.gov (United States)

Song, Il Keun; Kang, Young Kee

2012-09-01

The conformational study of γ-aminobutyric acid (GABA) has been carried out at the M06-2X/cc-pVTZ level of theory in the gas phase and the SMD M06-2X/cc-pVTZ level of theory in water. In the gas phase, the folded conformation gG1 with gauche- and gauche+ conformations for the Cβsbnd Cα and Cγsbnd Cβ bonds, respectively, is found to be lowest in energy and enthalpy, which can be ascribed to the favored hyperconjugative n → π* interaction between the lone electron pair of the amine nitrogen atom and the Cdbnd O bond of the carboxylic group and the favored antiparallel dipole-dipole interaction between the Nsbnd H bond and the Cdbnd O bond. In addition, the intramolecular hydrogen bonds between the carboxylic group and the amine Nsbnd H group have contributed to stabilize some low-energy conformers. However, the most preferred conformation is found to be tG1 and more stable by 0.4 kcal/mol in ΔG than the conformer gG1, in which the favored entropic term due to the conformational flexibility and the other favored n → σ*, σ → σ*, and π → σ* interactions seem to play a role. The conformational preferences of the neutral GABA calculated by ΔG's are reasonably consistent with the populations deduced from FT microwave spectroscopy in supersonic jets combined with laser ablation. In water, the two folded conformers Gg and gG of the zwitterionic GABA are dominantly populated, each of which has the population of 47%, and the hydrogen bond between the ammonium Nsbnd H group and the lone electron pair of the Csbnd O- group seems to be crucial in stabilizing these conformers. Our calculated result that the folded conformers preferentially exist in water is consistent with the 1H NMR experiments in D2O.

Gas-phase polynuclear aromatic hydrocarbons (PAH) in vehicle exhaust: A method for collection and analysis

International Nuclear Information System (INIS)

Seigl, W.O.; Chladek, E.

1990-01-01

Gas-phase polynuclear aromatic hydrocarbons (PAH) are emitted at low levels in vehicle exhaust compared to other hydrocarbon emissions. A method has been developed involving the trapping of gas phase emissions on Tenax, a macrorecticular porous polymer, followed by thermal desorption onto a capillary gas chromatography column. Gas chromatography/mass spectrometry (GC/MS) was used for the chemical analysis. A detection limit of 0.05 ng was achieved for several gas-phase PAH. This high sensitivity enables the speciation and quantitation of gas-phase PAH collected from a dilution tube during standard driving (test) cycles. The method was demonstrated for the analysis of 9 PAH in the exhaust from a 1987 vehicle (with and without catalyst) during the hot start transient phase of the EPA urban dynamometer driving schedule. The PAH measured include naphthalene, 2-methyl- and 1-methylnaphthalene, biphenyl, fluorene, phenanthrene, anthracene, fluoranthene and pyrene. The four most abundant PAH observed are naphthalene, 2-methyl and 1-methylnaphthalene, and biphenyl, in that order

Process Stability of Ultrasonic-Wave-Assisted Gas Metal Arc Welding

Science.gov (United States)

Fan, Chenglei; Xie, Weifeng; Yang, Chunli; Lin, Sanbao; Fan, Yangyang

2017-10-01

As a newly developed arc welding method, ultrasonic-wave-assisted arc welding successfully introduced power ultrasound into the arc and weld pool, during which the ultrasonic acts on the top of the arc in the coaxial alignment direction. The advanced process for molten metals can be realized by using an additional ultrasonic field. Compared with the conventional gas metal arc welding (GMAW), the welding arc is compressed, the droplet size is decreased, and the droplet transfer frequency is increased significantly in ultrasonic-wave-assisted GMAW (U-GMAW). However, the stability of the metal transfer has deep influence on the welding quality equally, and the ultrasonic wave effect on the stability of the metal transfer is a phenomenon that is not completely understood. In this article, the stabilities of the short-circuiting transfer process and globular transfer process are studied systematically, and the effect of ultrasonic wave on the metal transfer is analyzed further. The transfer frequency and process stability of the U-GMAW process are much higher than those of the conventional GMAW. Analytical results show that the additional ultrasonic wave is helpful for improving welding stability.

Phase stability analysis of liquid-liquid equilibrium with stochastic methods

Directory of Open Access Journals (Sweden)

G. Nagatani

2008-09-01

Full Text Available Minimization of Gibbs free energy using activity coefficient models and nonlinear equation solution techniques is commonly applied to phase stability problems. However, when conventional techniques, such as the Newton-Raphson method, are employed, serious convergence problems may arise. Due to the existence of multiple solutions, several problems can be found in modeling liquid-liquid equilibrium of multicomponent systems, which are highly dependent on the initial guess. In this work phase stability analysis of liquid-liquid equilibrium is investigated using the NRTL model. For this purpose, two distinct stochastic numerical algorithms are employed to minimize the tangent plane distance of Gibbs free energy: a subdivision algorithm that can find all roots of nonlinear equations for liquid-liquid stability analysis and the Simulated Annealing method. Results obtained in this work for the two stochastic algorithms are compared with those of the Interval Newton method from the literature. Several different binary and multicomponent systems from the literature were successfully investigated.

Linear stability of liquid films with phase change at the interface

International Nuclear Information System (INIS)

Spindler, Bertrand

1980-01-01

The objective of this research thesis is to study the linear stability of the flow of a liquid film on an inclined plane with a heat flow on the wall and an interfacial phase change, and to highlight the influence of the phase change on the flow stability. In order to do so, the author first proposed a rational simplification of equations by studying the order of magnitude of different terms, and based on some simple hypotheses regarding flow physics. Two stability studies are then addressed, one regarding a flow with a pre-existing film, and the other regarding the flow of a condensation film. In both cases, it is assumed that there is no imposed heat flow, but that the driving effect of vapour by the liquid film is taken into account [fr

The Ultrafast Wolff Rearrangement in the Gas Phase

Science.gov (United States)

Steinbacher, Andreas; Roeding, Sebastian; Brixner, Tobias; Nuernberger, Patrick

The Wolff rearrangement of gas-phase 5-diazo Meldrum's acid is disclosed with femtosecond ion spectroscopy. Distinct differences are found for 267 nm and 200 nm excitation, the latter leading to even two ultrafast rearrangement reactions.

Measurement of pressure fluctuation in gas-liquid two-phase vortex street

International Nuclear Information System (INIS)

Sun Zhiqiang; Sang Wenhui; Zhang Hongjian

2009-01-01

The pressure fluctuation in the wake is an important parameter to characterize the shedding process of gas-liquid two-phase Karman vortex street. This paper investigated such pressure fluctuations in a horizontal pipe using air and water as the tested fluid media. The dynamic signal representing the pressure fluctuation was acquired by the duct-wall differential pressure method. Results show that in the wake of the gas-liquid two-phase Karman vortex street, the frequency of the pressure fluctuation is linear with the Reynolds number when the volume void fraction is within the range of 18%. Moreover, the mean amplitude of the pressure fluctuation decreases with the volume void fraction, and the mean amplitude is larger at higher water flowrates under the same volume void fraction. These findings contribute to an in-depth understanding of the gas-liquid two-phase Karman vortex street.

Exceptionally High Proton and Lithium Cation Gas-Phase Basicity of the Anti-Diabetic Drug Metformin.

Science.gov (United States)

Raczyńska, Ewa D; Gal, Jean-François; Maria, Pierre-Charles; Michalec, Piotr; Zalewski, Marcin

2017-11-16

Substituted biguanides are known for their biological effect, and a few of them are used as drugs, the most prominent example being metformin (1,1-dimethylbiguanide, IUPAC name: N,N-dimethylimidodicarbonimidic diamide). Because of the presence of hydrogen atoms at the amino groups, biguanides exhibit a multiple tautomerism. This aspect of their structures was examined in detail for unsubstituted biguanide and metformin in the gas phase. At the density functional theory (DFT) level {essentially B3LYP/6-311+G(d,p)}, the most stable structures correspond to the conjugated, push-pull, system (NR 2 )(NH 2 )C═N-C(═NH)NH 2 (R = H, CH 3 ), further stabilized by an internal hydrogen bond. The structural and energetic aspects of protonation and lithium cation adduct formation of biguanide and metformin was examined at the same level of theory. The gas-phase protonation energetics reveal that the more stable tautomer is protonated at the terminal imino C═NH site, still with an internal hydrogen bond maintaining the structure of the neutral system. The calculated proton affinity and gas-phase basicity of the two molecules reach the domain of superbasicity. By contrast, the lithium cation prefers to bind the less stable, not fully conjugated, tautomer (NR 2 )C(═NH)-NH-C(═NH)NH 2 of biguanides, in which the two C═NH groups are separated by NH. This less stable form of biguanides binds Li + as a bidentate ligand, in agreement with what was reported in the literature for other metal cations in the solid phase. The quantitative assessment of resonance in biguanide, in metformin and in their protonated forms, using the HOMED and HOMA indices, reveals an increase in electron delocalization upon protonation. On the contrary, the most stable lithium cation adducts are less conjugated than the stable neutral biguanides, because the metal cation is better coordinated by the not-fully conjugated bidentate tautomer.

Temperature dependence of the particle/gas partition coefficient: An application to predict indoor gas-phase concentrations of semi-volatile organic compounds

Energy Technology Data Exchange (ETDEWEB)

Wei, Wenjuan, E-mail: Wenjuan.Wei@cstb.fr [University of Paris-Est, Scientific and Technical Center for Building (CSTB), Health and Comfort Department, French Indoor Air Quality Observatory (OQAI), 84 Avenue Jean Jaurès, Champs sur Marne, 77447 Marne la Vallée Cedex 2 (France); Mandin, Corinne [University of Paris-Est, Scientific and Technical Center for Building (CSTB), Health and Comfort Department, French Indoor Air Quality Observatory (OQAI), 84 Avenue Jean Jaurès, Champs sur Marne, 77447 Marne la Vallée Cedex 2 (France); INSERM-U1085, Irset-Research Institute for Environmental and Occupational Health, Rennes (France); LERES-Environment and Health Research Laboratory (Irset and EHESP Technologic Platform), Rennes (France); Blanchard, Olivier [EHESP-School of Public Health, Sorbonne Paris Cité, Rennes (France); INSERM-U1085, Irset-Research Institute for Environmental and Occupational Health, Rennes (France); Mercier, Fabien [EHESP-School of Public Health, Sorbonne Paris Cité, Rennes (France); LERES-Environment and Health Research Laboratory (Irset and EHESP Technologic Platform), Rennes (France); INSERM-U1085, Irset-Research Institute for Environmental and Occupational Health, Rennes (France); Pelletier, Maud [EHESP-School of Public Health, Sorbonne Paris Cité, Rennes (France); INSERM-U1085, Irset-Research Institute for Environmental and Occupational Health, Rennes (France); Le Bot, Barbara [EHESP-School of Public Health, Sorbonne Paris Cité, Rennes (France); LERES-Environment and Health Research Laboratory (Irset and EHESP Technologic Platform), Rennes (France); INSERM-U1085, Irset-Research Institute for Environmental and Occupational Health, Rennes (France); and others

2016-09-01

The indoor gas-phase concentrations of semi-volatile organic compounds (SVOCs) can be predicted from their respective concentrations in airborne particles by applying the particle/gas partitioning equilibrium. The temperature used for partitioning is often set to 25 °C. However, indoor temperatures frequently differ from this reference value. This assumption may result in errors in the predicted equilibrium gas-phase SVOC concentrations. To improve the prediction model, the temperature dependence of the particle/gas partition coefficient must be addressed. In this paper, a theoretical relationship between the particle/gas partition coefficient and temperature was developed based on the SVOC absorptive mechanism. The SVOC particle/gas partition coefficients predicted by employing the derived theoretical relationship agree well with the experimental data retrieved from the literature (R > 0.93). The influence of temperature on the equilibrium gas-phase SVOC concentration was quantified by a dimensionless analysis of the derived relationship between the SVOC particle/gas partition coefficient and temperature. The predicted equilibrium gas-phase SVOC concentration decreased by between 31% and 53% when the temperature was lowered by 6 °C, while it increased by up to 750% when the indoor temperature increased from 15 °C to 30 °C. - Highlights: • A theoretical relationship between K{sub p} and temperature was developed. • The relationship was based on the SVOC absorptive mechanism. • The temperature impact was quantified by a dimensionless analysis.

Laser-to-RF phase detection with femtosecond precision for remote reference phase stabilization in particle accelerators

Energy Technology Data Exchange (ETDEWEB)

Lamb, Thorsten

2017-05-15

The operation of modern free-electron lasers (FELs) requires the synchronization of different accelerator subsystems with femtosecond precision. A pulsed optical synchronization system is for this reason operated at the Free-Electron Laser in Hamburg (FLASH) and it is under construction for the upcoming European X-ray Free-Electron Laser (XFEL). Laser pulses from the optical master oscillator are transmitted by timing stabilized optical fiberlinks to dedicated end stations along the accelerator. Devices which cannot operate with optical synchronization signals are instead conventionally synchronized with radio frequency (RF) reference signals. These signals are distributed in the accelerator by coaxial cables. Especially the low -level radio frequency (LLRF) system requires RF reference signals with femtosecond stability in order to meet nowadays femtosecond demands. Due to cable drifts and the length of the accelerators, this level of stability cannot be provided by conventional RF transport. A laser-to-RF (L2RF) phase detector has been invented, which allows to measure with femtosecond precision the relative phase between a phase stable optical pulse train from an optical fiberlink and an RF signal. The L2RF phase detector is based on an integrated MACH-ZEHNDER modulator (MZM) in which the phase error between both signals is encoded in an amplitude modulation of the optical pulse train. Different configurations, based on single output and dual output MZMs have been evaluated for different operation scenarios. A full mathematical representation of the chosen configuration has been derived. The impact of multiple error sources has been investigated. It has been proven that most error sources have only second or higher order influence on the detection principle which is a significant advantage over existing schemes. The invented L2RF phase detector is for example balanced and in its working point insensitive to power variations of the optical reference pulse train

Laser-to-RF phase detection with femtosecond precision for remote reference phase stabilization in particle accelerators

International Nuclear Information System (INIS)

Lamb, Thorsten

2017-05-01

The operation of modern free-electron lasers (FELs) requires the synchronization of different accelerator subsystems with femtosecond precision. A pulsed optical synchronization system is for this reason operated at the Free-Electron Laser in Hamburg (FLASH) and it is under construction for the upcoming European X-ray Free-Electron Laser (XFEL). Laser pulses from the optical master oscillator are transmitted by timing stabilized optical fiberlinks to dedicated end stations along the accelerator. Devices which cannot operate with optical synchronization signals are instead conventionally synchronized with radio frequency (RF) reference signals. These signals are distributed in the accelerator by coaxial cables. Especially the low -level radio frequency (LLRF) system requires RF reference signals with femtosecond stability in order to meet nowadays femtosecond demands. Due to cable drifts and the length of the accelerators, this level of stability cannot be provided by conventional RF transport. A laser-to-RF (L2RF) phase detector has been invented, which allows to measure with femtosecond precision the relative phase between a phase stable optical pulse train from an optical fiberlink and an RF signal. The L2RF phase detector is based on an integrated MACH-ZEHNDER modulator (MZM) in which the phase error between both signals is encoded in an amplitude modulation of the optical pulse train. Different configurations, based on single output and dual output MZMs have been evaluated for different operation scenarios. A full mathematical representation of the chosen configuration has been derived. The impact of multiple error sources has been investigated. It has been proven that most error sources have only second or higher order influence on the detection principle which is a significant advantage over existing schemes. The invented L2RF phase detector is for example balanced and in its working point insensitive to power variations of the optical reference pulse train

Flow-pattern identification and nonlinear dynamics of gas-liquid two-phase flow in complex networks.

Science.gov (United States)

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.

Effect of changes in seafloor temperature and sea-level on gas hydrate stability

Energy Technology Data Exchange (ETDEWEB)

Garg, S.K.; Pritchett, W. [Science Applications International Corp., San Diego, CA (United States)

2008-07-01

Natural gas hydrates occur in oceanic sediments and in permafrost regions around the world. As a greenhouse gas, large amounts of methane released from the global hydrate reservoir would have a significant impact on Earth's climate. The role of methane released by hydrate dissociation in climate change is uncertain. However, changes in global climate such as glaciation and warming can destabilize the hydrates. During the last glacial maximum, the sea level dropped about 100 meters. It has been suggested that the sea-level fall was associated with gas hydrate instability and seafloor slumping. This paper investigated the effect of changes in seafloor temperature and sea level on gas hydrate stability and on gas venting at the seafloor. A one-dimensional numerical computer model (simulator) was developed to describe methane hydrate formation, decomposition, reformation, and distribution with depth below the seafloor in the marine environment. The simulator was utilized to model hydrate distributions at two sites, notably Blake Ridge, located offshore South Carolina and Hydrate Ridge, located off the coast of Oregon. The numerical models for the two sites were conditioned by matching the sulfate, chlorinity, and hydrate distribution measurements. The effect of changes in seafloor temperature and sea-level on gas hydrate stability were then investigated. It was concluded that for Blake Ridge, changes in hydrate concentration were small. Both the changes in seafloor temperature and sea-level led to a substantial increase in gas venting at the seafloor for Hydrate Ridge. 17 refs., 8 figs.

GAS PHASE ION CHEMISTRY OF COUMARINS: AB INITIO ...

African Journals Online (AJOL)

B. S. Chandravanshi

The gas phase ion chemistry of coumarins using electron ionization (EI), positive chemical ionization (PCI) and ... Figure 1. Generic chemical structures of the coumarins in this study. ..... Part of this work was conducted using the resources of ...

Monitoring gas-phase CO2 in the headspace of champagne glasses through combined diode laser spectrometry and micro-gas chromatography analysis.

Science.gov (United States)

Moriaux, Anne-Laure; Vallon, Raphaël; Parvitte, Bertrand; Zeninari, Virginie; Liger-Belair, Gérard; Cilindre, Clara

2018-10-30

During Champagne or sparkling wine tasting, gas-phase CO 2 and volatile organic compounds invade the headspace above glasses, thus progressively modifying the chemical space perceived by the consumer. Gas-phase CO 2 in excess can even cause a very unpleasant tingling sensation perturbing both ortho- and retronasal olfactory perception. Monitoring as accurately as possible the level of gas-phase CO 2 above glasses is therefore a challenge of importance aimed at better understanding the close relationship between the release of CO 2 and a collection of various tasting parameters. Here, the concentration of CO 2 found in the headspace of champagne glasses served under multivariate conditions was accurately monitored, all along the 10 min following pouring, through a new combined approach by a CO 2 -Diode Laser Sensor and micro-gas chromatography. Our results show the strong impact of various tasting conditions (volume dispensed, intensity of effervescence, and glass shape) on the release of gas-phase CO 2 above the champagne surface. Copyright © 2018 Elsevier Ltd. All rights reserved.

Possibilities of gas-phase radio-chromatography application to permanent-gas analysis

International Nuclear Information System (INIS)

Dupuis, M.C.; Charrier, G.; Alba, C.; Massimino, D.

1970-01-01

The gas-phase radio-chromatography technique has been applied to the rapid analysis of permanent gases (H 2 , O 2 , N 2 , A, Kr, Xe, CO, CH 4 ) labelled with radioactive indicators ( 3 H, 37 A, 85 Kr, 133 Xe). After calibration, the components of such a mixture can be identified and their concentrations measured in less than two hours, using a sample volume of from 0.1 to 10 cm 3 . The minimum detectable activity is of the order of 10 -4 μC for each radioactive isotope. The measurements are reproducible to about 2 to 3 per cent. This work has been mainly concerned with the influence of parameters affecting the response of the radioactivity detector (ionization chamber or gas flow proportional counter). The method has very numerous applications both theoretically, for the study of chromatographic phenomena under ideal conditions (infinitesimal concentrations made possible by the use of radioactive tracers), and practically, for rapid and accurate radiochemical analysis of radioactive gas mixtures. (authors) [fr

Asymptotic theory of neutral stability of the Couette flow of a vibrationally excited gas

Science.gov (United States)

Grigor'ev, Yu. N.; Ershov, I. V.

2017-01-01

An asymptotic theory of the neutral stability curve for a supersonic plane Couette flow of a vibrationally excited gas is developed. The initial mathematical model consists of equations of two-temperature viscous gas dynamics, which are used to derive a spectral problem for a linear system of eighth-order ordinary differential equations within the framework of the classical linear stability theory. Unified transformations of the system for all shear flows are performed in accordance with the classical Lin scheme. The problem is reduced to an algebraic secular equation with separation into the "inviscid" and "viscous" parts, which is solved numerically. It is shown that the thus-calculated neutral stability curves agree well with the previously obtained results of the direct numerical solution of the original spectral problem. In particular, the critical Reynolds number increases with excitation enhancement, and the neutral stability curve is shifted toward the domain of higher wave numbers. This is also confirmed by means of solving an asymptotic equation for the critical Reynolds number at the Mach number M ≤ 4.

Polyethylene Glycol Based Graphene Aerogel Confined Phase Change Materials with High Thermal Stability.

Science.gov (United States)

Fu, Yang; Xiong, Weilai; Wang, Jianying; Li, Jinghua; Mei, Tao; Wang, Xianbao

2018-05-01

Polyethylene glycol (PEG) based graphene aerogel (GA) confined shaped-stabilized phase change materials (PCMs) are simply prepared by a one-step hydrothermal method. Three-dimensional GA inserted by PEG molecule chains, as a supporting material, obtained by reducing graphene oxide sheets, is used to keep their stabilized shape during a phase change process. The volume of GA is obviously expended after adding PEG, and only 9.8 wt% of GA make the composite achieve high energy efficiency without leakage during their phase change because of hydrogen bonding widely existing in the GA/PEG composites (GA-PCMs). The heat storage energy of GA-PCMs is 164.9 J/g, which is 90.2% of the phase change enthalpy of pure PEG. In addition, this composite inherits the natural thermal properties of graphene and thus shows enhanced thermal conductivity compared with pure PEG. This novel study provides an efficient way to fabricate shape-stabilized PCMs with a high content of PEG for thermal energy storage.

Photoresponse of the protonated Schiff-base retinal chromophore in the gas phase

DEFF Research Database (Denmark)

Toker, Jonathan; Rahbek, Dennis Bo; Kiefer, H V

2013-01-01

The fragmentation, initiated by photoexcitation as well as collisionally-induced excitation, of several retinal chromophores was studied in the gas phase. The chromophore in the protonated Schiff-base form (RPSB), essential for mammalian vision, shows a remarkably selective photoresponse. The sel......The fragmentation, initiated by photoexcitation as well as collisionally-induced excitation, of several retinal chromophores was studied in the gas phase. The chromophore in the protonated Schiff-base form (RPSB), essential for mammalian vision, shows a remarkably selective photoresponse...... modifications of the chromophore. We propose that isomerizations play an important role in the photoresponse of gas-phase retinal chromophores and guide internal conversion through conical intersections. The role of protein interactions is then to control the specificity of the photoisomerization in the primary...

Diode Laser Raman Scattering Prototype Gas-Phase Environmental Monitoring

National Research Council Canada - National Science Library

Benner, Robert

1999-01-01

We proposed developing a diode-laser-based, full spectrum Raman scattering instrument incorporating a multipass, external cavity enhancement cell for full spectrum, gas phase analysis of environmental pollutants...

Effect of the purging gas on properties of Ti stabilized AISI 321 stainless steel TIG welds

Energy Technology Data Exchange (ETDEWEB)

Taban, Emel; Kaluc, Erdinc; Aykan, T. Serkan [Kocaeli Univ. (Turkey). Dept. of Mechanical Engineering

2014-07-01

Gas purging is necessary to provide a high quality of stainless steel pipe welding in order to prevent oxidation of the weld zone inside the pipe. AISI 321 stabilized austenitic stainless steel pipes commonly preferred in refinery applications have been welded by the TIG welding process both with and without the use of purging gas. As purging gases, Ar, N{sub 2}, Ar + N{sub 2} and N{sub 2} + 10% H{sub 2} were used, respectively. The aim of this investigation is to detect the effect of purging gas on the weld joint properties such as microstructure, corrosion, strength and impact toughness. Macro sections and microstructures of the welds were investigated. Chemical composition analysis to obtain the nitrogen, oxygen and hydrogen content of the weld root was done by Leco analysis. Ferrite content of the beads including root and cap passes were measured by a ferritscope. Vickers hardness (HV10) values were obtained. Intergranular and pitting corrosion tests were applied to determine the corrosion resistance of all welds. Type of the purging gas affected pitting corrosion properties as well as the ferrite content and nitrogen, oxygen and hydrogen contents at the roots of the welds. Any hot cracking problems are not predicted as the weld still solidifies with ferrite in the primary phase as confirmed by microstructural and ferrite content analysis. Mechanical testing showed no significant change according to the purge gas. AISI 321 steel and 347 consumable compositions would permit use of nitrogen rich gases for root shielding without a risk of hot cracking.

Fast phase stabilization of a low frequency beat note for atom interferometry

Energy Technology Data Exchange (ETDEWEB)

Oh, E.; Horne, R. A.; Sackett, C. A., E-mail: sackett@virginia.edu [Department of Physics, University of Virginia, 382 McCormick Road, Charlottesville, Virginia 22904-4714 (United States)

2016-06-15

Atom interferometry experiments rely on the ability to obtain a stable signal that corresponds to an atomic phase. For interferometers that use laser beams to manipulate the atoms, noise in the lasers can lead to errors in the atomic measurement. In particular, it is often necessary to actively stabilize the optical phase between two frequency components of the beams. Typically this is achieved using a time-domain measurement of a beat note between the two frequencies. This becomes challenging when the frequency difference is small and the phase measurement must be made quickly. The method presented here instead uses a spatial interference detection to rapidly measure the optical phase for arbitrary frequency differences. A feedback system operating at a bandwidth of about 10 MHz could then correct the phase in about 3 μs. This time is short enough that the phase correction could be applied at the start of a laser pulse without appreciably degrading the fidelity of the atom interferometer operation. The phase stabilization system was demonstrated in a simple atom interferometer measurement of the {sup 87}Rb recoil frequency.

CASCADER: An M-chain gas-phase radionuclide transport and fate model

International Nuclear Information System (INIS)

Cawlfield, D.E.; Emer, D.F.; Lindstrom, F.T.; Shott, G.J.

1993-09-01

Chemicals and radionuclides move either in the gas-phase, liquid-phase, or both phases in soils. They may be acted upon by either biological or abiotic processes through advection and/or dispersion. Additionally during the transport of parent and daughter radionuclides in soil, radionuclide decay may occur. This version of CASCADER called CASCADR9 starts with the concepts presented in volumes one and three of this series. For a proper understanding of how the model works, the reader should read volume one first. Also presented in this volume is a set of realistic scenarios for buried sources of radon gas, and the input and output file structure for CASCADER9

CASCADER: An m-chain gas-phase radionuclide transport and fate model

International Nuclear Information System (INIS)

Cawlfield, D.E.; Been, K.B.; Emer, D.F.; Lindstrom, F.T.; Shott, G.J.

1993-06-01

Chemicals and radionuclides move either in the gas-phase, liquid-phase, or both phases in soils. They may be acted upon by either biological or abiotic processes through advection and/or diffusion. Furthermore, parent and daughter radionuclides may decay as they are transported in the soil. This is volume two to the CASCADER series, titled CASCADR8. It embodies the concepts presented in volume one of this series. To properly understand how the CASCADR8 model works, the reader should read volume one first. This volume presents the input and output file structure for CASCADR8, and a set of realistic scenarios for buried sources of radon gas

TEMPERATURE INFLUENCE ON PHASE STABILITY OF ETHANOL-GASOLINE MIXTURES

Directory of Open Access Journals (Sweden)

Valerian Cerempei

2011-06-01

Full Text Available The article investigates phase stability of ethanol-gasoline mixtures depending on their composition, water concentration in ethanol and ethanol-gasoline mixture and temperature. There have been determined the perfect functioning conditions of spark ignition engines fueled with ethanol-gasoline mixtures.

Numerical simulation for gas-liquid two-phase flow in pipe networks

International Nuclear Information System (INIS)

Li Xiaoyan; Kuang Bo; Zhou Guoliang; Xu Jijun

1998-01-01

The complex pipe network characters can not directly presented in single phase flow, gas-liquid two phase flow pressure drop and void rate change model. Apply fluid network theory and computer numerical simulation technology to phase flow pipe networks carried out simulate and compute. Simulate result shows that flow resistance distribution is non-linear in two phase pipe network

Polymer Stabilization of Liquid-Crystal Blue Phase II toward Photonic Crystals.

Science.gov (United States)

Jo, Seong-Yong; Jeon, Sung-Wook; Kim, Byeong-Cheon; Bae, Jae-Hyun; Araoka, Fumito; Choi, Suk-Won

2017-03-15

The temperature ranges where a pure simple-cubic blue phase (BPII) emerges are quite narrow compared to the body-centered-cubic BP (BPI) such that the polymer stabilization of BPII is much more difficult. Hence, a polymer-stabilized BPII possessing a wide temperature range has been scarcely reported. Here, we fabricate a polymer-stabilized BPII over a temperature range of 50 °C including room temperature. The fabricated polymer-stabilized BPII is confirmed via polarized optical microscopy, Bragg reflection, and Kossel diagram observations. Furthermore, we demonstrate reflective BP liquid-crystal devices utilizing the reflectance-voltage performance as a potential application of the polymer-stabilized BPII. Our work demonstrates the possibility of practical application of the polymer-stabilized BPII to photonic crystals.

Real space multiple scattering description of alloy phase stability

International Nuclear Information System (INIS)

Turchi, P.E.A.; Sluiter, M.

1992-01-01

This paper presents a brief overview of the advanced methodology which has been recently developed to study phase stability properties of substitutional alloys, including order-disorder phenomena and structural transformations. The approach is based on the real space version of the Generalized Perturbation Method first introduced by Ducastelle and Gautier, within the Korringa-Kohn-Rostoker multiple scattering formulation of the Coherent Potential Approximation. Temperature effects are taken into account with a generalized meanfield approach, namely the Cluster Variation Method. The viability and the predictive power of such a scheme will be illustrated by a few examples, among them: the ground state properties of alloys, in particular the ordering tendencies for a series of equiatomic bcc-based alloys, the computation of alloy phase diagrams with the case of fcc and bcc-based Ni-Al alloys, the calculation of antiphase boundary energies and interfacial energies, and the stability of artificial ordered superlattices

Stability of Phase Relationships While Coordinating Arm Reaches with Whole Body Motion.

Directory of Open Access Journals (Sweden)

Romy S Bakker

Full Text Available The human movement repertoire is characterized by the smooth coordination of several body parts, including arm movements and whole body motion. The neural control of this coordination is quite complex because the various body parts have their own kinematic and dynamic properties. Behavioral inferences about the neural solution to the coordination problem could be obtained by examining the emerging phase relationship and its stability. Here, we studied the phase relationships that characterize the coordination of arm-reaching movements with passively-induced whole-body motion. Participants were laterally translated using a vestibular chair that oscillated at a fixed frequency of 0.83 Hz. They were instructed to reach between two targets that were aligned either parallel or orthogonal to the whole body motion. During the first cycles of body motion, a metronome entrained either an in-phase or an anti-phase relationship between hand and body motion, which was released at later cycles to test phase stability. Results suggest that inertial forces play an important role when coordinating reaches with cyclic whole-body motion. For parallel reaches, we found a stable in-phase and an unstable anti-phase relationship. When the latter was imposed, it readily transitioned or drifted back toward an in-phase relationship at cycles without metronomic entrainment. For orthogonal reaches, we did not find a clear difference in stability between in-phase and anti-phase relationships. Computer simulations further show that cost models that minimize energy expenditure (i.e. net torques or endpoint variance of the reach cannot fully explain the observed coordination patterns. We discuss how predictive control and impedance control processes could be considered important mechanisms underlying the rhythmic coordination of arm reaches and body motion.

Dynamic Stability Study of Static Gas Bearing for Small Cryogenic Turbo-Expander

International Nuclear Information System (INIS)

Wang Xuemin; Zhuang Ming; Zhang Qiyong; Li Shanshan; Fu Bao

2011-01-01

An experimental method is presented to analyze the dynamic stability of the gas bearing for small cryogenic turbo-expanders. The rotation imbalance response and the shape of the rotor orbit were obtained for different speeds up to 110,000 rpm, and the critical speed of the rotor-bearing system was determined by a Bode diagram. An FFT signal analytical method was applied to identify the resonance frequency, and the waterfall plot was presented. During the whole process of speeding up to the designed speed of 110,000 rpm, the rotor-bearing works stably with no whirl instability, which is validated in a waterfall plot. Also, the tested rotor-bearing model was analyzed theoretically. It was proved that the experimental results were highly consistent with those of theoretical calculations. Thus the experimental method proposed here to analyze the dynamic stability of the gas bearing is feasible. (fusion engineering)

Phase stability of TiH{sub 2} under high pressure and temperatures

Energy Technology Data Exchange (ETDEWEB)

Selva Vennila, R.; Durygin, A.; Saxena, S.K. [Center for Study of Matter at Extreme Conditions (CeSMEC), Florida International University, VH-150, University Park, Miami, FL 33199 (United States); Merlini, Marco [European Synchrotron Radiation Facility (ESRF), Grenoble 38043 (France); Wang, Zhongwu [Cornell High Energy Synchrotron Source (CHESS), Wilson Laboratory, Cornell University, Ithaca, NY 14853 (United States)

2008-11-15

Phase stability of titanium hydride (TiH{sub 2}) was studied at high pressure-high temperature conditions using synchrotron radiation under non-hydrostatic conditions. Resistive heating method was used to heat the sample to a maximum temperature of 873 K in a diamond anvil cell (DAC) under pressure up to 12 GPa. Pressure-temperature behavior was studied by varying the temperature upto 823 K in steps of 50 K with pressure variations within 3 GPa. Structural phase transformation from tetragonal (I4/mmm) to cubic (Fm-3 m) was observed with increase in temperature. Tetragonal phase was found to be stabilized when the sample was subjected to pressure and temperature cycle. (author)

Phase space analysis of some interacting Chaplygin gas models

Energy Technology Data Exchange (ETDEWEB)

Khurshudyan, M. [Academy of Sciences of Armenia, Institute for Physical Research, Ashtarak (Armenia); Tomsk State University of Control Systems and Radioelectronics, Laboratory for Theoretical Cosmology, Tomsk (Russian Federation); Tomsk State Pedagogical University, Department of Theoretical Physics, Tomsk (Russian Federation); Myrzakulov, R. [Eurasian National University, Eurasian International Center for Theoretical Physics, Astana (Kazakhstan)

2017-02-15

In this paper we discuss a phase space analysis of various interacting Chaplygin gas models in general relativity. Linear and nonlinear sign changeable interactions are considered. For each case appropriate late time attractors of field equations are found. The Chaplygin gas is one of the dark fluids actively considered in modern cosmology due to the fact that it is a joint model of dark energy and dark matter. (orig.)

A gas-phase reactor powered by solar energy and ethanol for H2 production

International Nuclear Information System (INIS)

Ampelli, Claudio; Genovese, Chiara; Passalacqua, Rosalba; Perathoner, Siglinda; Centi, Gabriele

2014-01-01

In the view of H 2 as the future energy vector, we presented here the development of a homemade photo-reactor working in gas phase and easily interfacing with fuel cell devices, for H 2 production by ethanol dehydrogenation. The process generates acetaldehyde as the main co-product, which is more economically advantageous with respect to the low valuable CO 2 produced in the alternative pathway of ethanol photoreforming. The materials adopted as photocatalysts are based on TiO 2 substrates but properly modified with noble (Au) and not-noble (Cu) metals to enhance light harvesting in the visible region. The samples were characterized by BET surface area analysis, Transmission Electron Microscopy (TEM) and UV–visible Diffusive Reflectance Spectroscopy, and finally tested in our homemade photo-reactor by simulated solar irradiation. We discussed about the benefits of operating in gas phase with respect to a conventional slurry photo-reactor (minimization of scattering phenomena, no metal leaching, easy product recovery, etc.). Results showed that high H 2 productivity can be obtained in gas phase conditions, also irradiating titania photocatalysts doped with not-noble metals. - Highlights: • A gas-phase photoreactor for H 2 production by ethanol dehydrogenation was developed. • The photocatalytic behaviours of Au and Cu metal-doped TiO 2 thin layers are compared. • Benefits of operating in gas phase with respect to a slurry reactor are presented. • Gas phase conditions and use of not-noble metals are the best economic solution

GAS PHASE SELECTIVE PHOTOXIDATION OF ALCOHOLS USING LIGHT-ACTIVATED TITANIUM DIOXIDE AND MOLECULAR OXYGEN

Science.gov (United States)

Gas Phase Selective Oxidation of Alcohols Using Light-Activated Titanium Dioxide and Molecular Oxygen Gas phase selective oxidations of various primary and secondary alcohols are studied in an indigenously built stainless steel up-flow photochemical reactor using ultravi...

Numerical Method based on SIMPLE Algorithm for a Two-Phase Flow with Non-condensable Gas

International Nuclear Information System (INIS)

Kim, Jong Tae

2009-08-01

In this study, a numerical method based on SIMPLE algorithm for a two-phase flow with non-condensable gas has been developed in order to simulate thermal hydraulics in a containment of a nuclear power plant. As governing equations, it adopts a two-fluid three-field model for the two-phase flows. The three fields include gas, drops, and continuous liquid. The gas field can contains vapor and non-condensable gases such as air and hydrogen. In order to resolve mixing phenomena of gas species, gas transport equations for each species base on the gas mass fractions are solved with gas phase governing equations such as mass, momentum and energy equations. Methods to evaluate the properties of the gas species were implemented in the code. They are constant or polynomial function based a user input and a property library from Chemkin and JANAF table for gas specific heat. Properties for the gas mixture which are dependent on mole fractions of the gas species were evaluated by a mix rule

Fundamental research of two-phase flows with high liquid/gas density ratios

International Nuclear Information System (INIS)

Mishima, Kaichiro; Hibiki, Takashi; Saito, Yasushi; Tobita, Yoshiharu; Konishi, Kensuke; Suzuki, Tohru

2000-07-01

In order to analyze the boiling of a fuel-steel mixture pool formed during the core disruptive accident in a fast breeder reactor, it is important to understand the flow characteristics of gas-liquid two-phase pools containing molten reactor materials. Since the liquid/gas density ratio is high, the characteristics of such two-phase flows may differ from those of ordinary flows such as water/air flow. In this study, as a fundamental research of two-phase flows with a high liquid/gas density ratio, the experiments were performed to visualize and measure molten metal (lead-bismuth)/nitrogen gas two-phase flows using a neutron radiography technique. From these experiments, fundamental data such as bubble shapes, void fractions and liquid velocity fields were obtained. In addition, the momentum exchange model of SIMMER-III, which has been developed by JNC, was assessed and improved using the experimental data. In the visualization by neutron radiography, it was found that deformed ellipsoidal bubbles could be seen with smaller gas flux or lower void fractions, and spherical cap bubbles could be seen with larger gas flux or higher void fractions. In addition, a correlation applicable to SIMMER-III was proposed through a comparison between the experimental data and traditional empirical correlations. Furthermore, a visualization experiment using gold-cadmium tracer particles showed that the image processing technique used in the quantification of void fractions is applicable to the measurement of the liquid velocity fields. On the other hand, in the analysis by SIMMER-III, it was confirmed that the original momentum exchange model was appropriate for ellipsoidal bobby flows and that the accuracy of SIMMER-III for cap bubbly flows was much improved with the proposed correlation. Moreover, a new procedure, in which the appropriate drag coefficient could be automatically selected according to bubble shape, was developed. The SIMMER-III code improved through this study can

Conformational Preferences of Glycerol in the Gas Phase and in Water

Energy Technology Data Exchange (ETDEWEB)

Jeong, Keun Hong [Korea Military Academy, Seoul (Korea, Republic of); Byun, Byung Jin; Kang, Young Kee [Chungbuk National University, Cheongju (Korea, Republic of)

2012-03-15

The conformational study of glycerol has been carried out using the M06-2X/cc-pVTZ level of theory in the gas phase and the SMD M06-2X/cc-pVTZ level of theory in water in order to understand its conformational preferences and solvation effects. Most of the preferred conformers of glycerol have two C{sub 5} hydrogen bonds in the gas phase, as found by the analysis of calorimetric data. It has been known that the solvation drove the hydrogen bonds of glycerol to be weaker and its potential surface to be fatter and that glycerol exists as an ensemble of many feasible local minima in water. The calculated populations of glycerol in the gas phase and in water are consistent with the observed values, which are better than the previously calculated ones at the G2(MP2), CBS-QB3, and SM5.42 HF/6-31G(d) levels of theory

Modified Vivaldi antenna with improved gain and phase center stability

DEFF Research Database (Denmark)

Zhang, Shuai

2016-01-01

A modified Vivaldi antenna is proposed with improved gain and phase centre stability. By applying a high permittivity dielectric substrate, the realized gain is enlarged while maintaining the compactness of the designed antenna. With a redistributed comb-shape corrugation the phase centre stabili...... of the antenna is significantly improved. The designed modified Vivaldi antenna covers the lower UWB band of 3.1-5 GHz with a realized gain higher than 10 dBi. A stable phase centre and radiation patterns over the operating band are realized....

Deliberate and Accidental Gas-Phase Alkali Doping of Chalcogenide Semiconductors: Cu(In,Ga)Se2.

Science.gov (United States)

Colombara, Diego; Berner, Ulrich; Ciccioli, Andrea; Malaquias, João C; Bertram, Tobias; Crossay, Alexandre; Schöneich, Michael; Meadows, Helene J; Regesch, David; Delsante, Simona; Gigli, Guido; Valle, Nathalie; Guillot, Jérome; El Adib, Brahime; Grysan, Patrick; Dale, Phillip J

2017-02-24

Alkali metal doping is essential to achieve highly efficient energy conversion in Cu(In,Ga)Se 2 (CIGSe) solar cells. Doping is normally achieved through solid state reactions, but recent observations of gas-phase alkali transport in the kesterite sulfide (Cu 2 ZnSnS 4 ) system (re)open the way to a novel gas-phase doping strategy. However, the current understanding of gas-phase alkali transport is very limited. This work (i) shows that CIGSe device efficiency can be improved from 2% to 8% by gas-phase sodium incorporation alone, (ii) identifies the most likely routes for gas-phase alkali transport based on mass spectrometric studies, (iii) provides thermochemical computations to rationalize the observations and (iv) critically discusses the subject literature with the aim to better understand the chemical basis of the phenomenon. These results suggest that accidental alkali metal doping occurs all the time, that a controlled vapor pressure of alkali metal could be applied during growth to dope the semiconductor, and that it may have to be accounted for during the currently used solid state doping routes. It is concluded that alkali gas-phase transport occurs through a plurality of routes and cannot be attributed to one single source.

Carrier-envelope phase-stabilized attosecond pulses from asymmetric molecules

International Nuclear Information System (INIS)

Lan Pengfei; Lu Peixiang; Cao Wei; Li Yuhua; Wang Xinlin

2007-01-01

High-order harmonic generation from asymmetric molecules is investigated, and the concept of phase-stabilized infrared ultrashort laser pulses is extended to the extreme ultraviolet regime. It is shown that the ionization symmetry in consecutive half optical cycles is broken for asymmetric molecules, and both even and odd harmonics with comparable intensity are produced. In the time domain, only one attosecond pulse is generated in each cycle of the driving field, and the carrier-envelope phases of the attosecond pulses are equal. Consequently, a clean attosecond pulse train with the same carrier-envelope phase from pulse to pulse is obtained in the extreme ultraviolet regime

Phase stability limit of c-BN under hydrostatic and non-hydrostatic pressure conditions

International Nuclear Information System (INIS)

Xiao, Jianwei; Du, Jinglian; Wen, Bin; Zhang, Xiangyi; Melnik, Roderick; Kawazoe, Yoshiyuki

2014-01-01

Phase stability limit of cubic boron nitride (c-BN) has been investigated by the crystal structure search technique. It indicated that this limit is ∼1000 GPa at hydrostatic pressure condition. Above this pressure, c-BN turns into a metastable phase with respect to rocksalt type boron nitride (rs-BN). However, rs-BN cannot be retained at 0 GPa owing to its instability at pressure below 250 GPa. For non-hydrostatic pressure conditions, the phase stability limit of c-BN is substantially lower than that under hydrostatic pressure conditions and it is also dramatically different for other pressure mode

Resolving Gas-Phase Metallicity In Galaxies

Science.gov (United States)

Carton, David

2017-06-01

Chapter 2: As part of the Bluedisk survey we analyse the radial gas-phase metallicity profiles of 50 late-type galaxies. We compare the metallicity profiles of a sample of HI-rich galaxies against a control sample of HI-'normal' galaxies. We find the metallicity gradient of a galaxy to be strongly correlated with its HI mass fraction {M}{HI}) / {M}_{\\ast}). We note that some galaxies exhibit a steeper metallicity profile in the outer disc than in the inner disc. These galaxies are found in both the HI-rich and control samples. This contradicts a previous indication that these outer drops are exclusive to HI-rich galaxies. These effects are not driven by bars, although we do find some indication that barred galaxies have flatter metallicity profiles. By applying a simple analytical model we are able to account for the variety of metallicity profiles that the two samples present. The success of this model implies that the metallicity in these isolated galaxies may be in a local equilibrium, regulated by star formation. This insight could provide an explanation of the observed local mass-metallicity relation. Chapter 3 We present a method to recover the gas-phase metallicity gradients from integral field spectroscopic (IFS) observations of barely resolved galaxies. We take a forward modelling approach and compare our models to the observed spatial distribution of emission line fluxes, accounting for the degrading effects of seeing and spatial binning. The method is flexible and is not limited to particular emission lines or instruments. We test the model through comparison to synthetic observations and use downgraded observations of nearby galaxies to validate this work. As a proof of concept we also apply the model to real IFS observations of high-redshift galaxies. From our testing we show that the inferred metallicity gradients and central metallicities are fairly insensitive to the assumptions made in the model and that they are reliably recovered for galaxies

Study of phase development and thermal stability in as synthesized TiO2 nanoparticles by laser pyrolysis: ethylene uptake and oxygen enrichment

Science.gov (United States)

Ilie, Alina Georgiana; Scarisoreanu, Monica; Dutu, Elena; Dumitrache, Florian; Banici, Ana-Maria; Fleaca, Claudiu Teodor; Vasile, Eugenia; Mihailescu, Ion

2018-01-01

Laser pyrolysis has proven a viable and trustworthy method of TiO2 nanoparticles fabrication, ensuring good quality and wide variety of nanoparticle morphologies and sizes. This work is aimed to phase control, experimentally studied, by parameter modulation, during one step laser pyrolysis synthesis or in combination with thermal annealing. High phase purity anatase and rutile TiO2 nanoparticles, oxygen abundant, are synthesized from TiCl4 and C2H4 gas mixtures, in the presence of air as oxygen donor, under CO2 laser radiation. The nano-titania samples are analyzed by X-ray Diffraction, EDAX, TEM and Raman spectroscopy and reveal good phase stability and distinct morphology. This study extends the method applicability onto rutile majoritarian TiO2 synthesis and generation of thermally stable anatase titania, a well-known catalyst.

Laboratory investigations of the alpha-pinene/ozone gas-phase reaction

International Nuclear Information System (INIS)

Benner, C.L.

1985-01-01

In order to provide more insight into terpene photooxidation or ozonolysis reaction mechanisms, a radiotracer technique was developed. This technique was applied to an investigation of the 14 C-alpha-pinene/ozone reaction. In the first phase of the research, the carbon distribution at the conclusion of the ozonolysis reaction was determined by separating carbon-14-labelled gaseous products from labelled aerosols, and counting each phase by liquid scintillation methods. The resulting carbon balance was 38% to 60% filtered aerosols, 6% to 20% gas phase compounds, and 11% to 29% products absorbed on the reaction chamber walls. Recoveries of the alpha-pinene carbon-14 ranging from 79% to 97% were achieved using this method. The alpha-pinene concentrations in these experiments were close to ambient (1 part per billion), yet the carbon balance was similar to that observed at much higher concentrations (>1 part per million). In the second phase of the alpha-pinene study, both gas and aerosol products of the ozonolysis reaction were collected on cartridges impregnated with 2,4-dinitrophenylhydrazine, then analyzed by HPLC. In the final experiments, alpha-pinene aerosol was reacted with a silylating agent to improve the detection of organic acids and alcohols. The gas chromatographic/mass spectrometric analysis of the silylated aerosol products showed evidence of dimer/polymer formation occurring in the ozonolysis reaction

Structure of a swirl-stabilized spray flame by imaging, laser Doppler velocimetry, and phase Doppler anemometry

Science.gov (United States)

Edwards, C. F.; Rudoff, R. C.

1991-01-01

Data are presented which describe the mean structure of a steady, swirl-stabilized, kerosene spray flame in the near-injector region of a research furnace. The data presented include ensemble-averaged results of schlieren, luminosity, and extinction imaging, measurement of the gas phase velocity field by laser Doppler velocimetry, and characterization of the condensed phase velocity by phase Doppler anemometry. The results of these studies define six key regions in the flame: the dense spray region; the rich, two-phase, fuel jet; the main air jet; the internal product recirculation zone; the external product recirculation zone; and the gaseous diffusion flame zone. The first five of these regions form a conical mixing layer which prepares the air and fuel for combustion. The air and fuel jets comprise the central portion of this mixing layer and are bounded on either side by the hot product gases of the internal and external recirculation zones. Entrainment of these product gases into the air/fuel streams provides the energy required to evaporate the fuel spray and initiate combustion. Intermittency of the internal recirculation and spray jet flows accounts for unexpected behavior observed in the aerodynamics of the two phases. The data reported herein are part of the database being accumulated on this spray flame for the purpose of detailed comparison with numerical modeling.

Thermodynamic stability and guest distribution of CH4/N2/CO2 mixed hydrates for methane hydrate production using N2/CO2 injection

International Nuclear Information System (INIS)

Lim, Dongwook; Ro, Hyeyoon; Seo, Yongwon; Seo, Young-ju; Lee, Joo Yong; Kim, Se-Joon; Lee, Jaehyoung; Lee, Huen

2017-01-01

Highlights: • We examine the thermodynamic stability and guest distribution of CH 4 /N 2 /CO 2 mixed hydrates. • Phase equilibria of the CH 4 /N 2 /CO 2 mixed hydrates were measured to determine the thermodynamic stability. • The N 2 /CO 2 ratio of the hydrate phase is almost constant despite the enrichment of CO 2 in the hydrate phase. • 13 C NMR results indicate the preferential occupation of N 2 and CO 2 in the small and large cages of sI hydrates, respectively. - Abstract: In this study, thermodynamic stability and cage occupation behavior in the CH 4 – CO 2 replacement, which occurs in natural gas hydrate reservoirs by injecting flue gas, were investigated with a primary focus on phase equilibria and composition analysis. The phase equilibria of CH 4 /N 2 /CO 2 mixed hydrates with various compositions were measured to determine the thermodynamic stability of gas hydrate deposits replaced by N 2 /CO 2 gas mixtures. The fractional experimental pressure differences (Δp/p) with respect to the CSMGem predictions were found to range from −0.11 to −0.02. The composition analysis for various feed gas mixtures with a fixed N 2 /CO 2 ratio (4.0) shows that CO 2 is enriched in the hydrate phase, and the N 2 /CO 2 ratio in the hydrate phase is independent of the feed CH 4 fractions. Moreover, 13 C NMR measurements indicate that N 2 molecules preferentially occupy the small 5 12 cages of sI hydrates while the CO 2 molecules preferentially occupy the large 5 12 6 2 cages, resulting in an almost constant area ratio of CH 4 molecules in the large to small cages of the CH 4 /N 2 /CO 2 mixed hydrates. The overall experimental results provide a better understanding of stability conditions and guest distributions in natural gas hydrate deposits during CH 4 – flue gas replacement.

Preconceptual design of the gas-phase decontamination demonstration cart

International Nuclear Information System (INIS)

Munday, E.B.

1993-12-01

Removal of uranium deposits from the interior surfaces of gaseous diffusion equipment will be a major portion of the overall multibillion dollar effort to decontaminate and decommission the gaseous diffusion plants. Long-term low-temperature (LTLT) gas-phase decontamination is being developed at the K-25 Site as an in situ decontamination process that is expected to significantly lower the decontamination costs, reduce worker exposure to radioactive materials, and reduce safeguard concerns. This report documents the preconceptual design of the process equipment that is necessary to conduct a full-scale demonstration of the LTLT method in accordance with the process steps listed above. The process equipment and method proposed in this report are not intended to represent a full-scale production campaign design and operation, since the gas evacuation, gas charging, and off-gas handling systems that would be cost effective in a production campaign are not cost effective for a first-time demonstration. However, the design presented here is expected to be applicable to special decontamination projects beyond the demonstration, which could include the Deposit Recovery Program. The equipment will therefore be sized to a 200 ft size 1 converter (plus a substantial conservative design margin), which is the largest item of interest for gas phase decontamination in the Deposit Recovery Program. The decontamination equipment will allow recovery of the UF 6 , which is generated from the reaction of ClF 3 with the uranium deposits, by use of NaF traps

Cold flame on Biofilm - Transport of Plasma Chemistry from Gas to Liquid Phase

Science.gov (United States)

Kong, Michael

2014-10-01

One of the most active and fastest growing fields in low-temperature plasma science today is biological effects of gas plasmas and their translation in many challenges of societal importance such as healthcare, environment, agriculture, and nanoscale fabrication and synthesis. Using medicine as an example, there are already three FDA-approved plasma-based surgical procedures for tissue ablation and blood coagulation and at least five phase-II clinical trials on plasma-assisted wound healing therapies. A key driver for realizing the immense application potential of near room-temperature ambient pressure gas plasmas, commonly known as cold atmospheric plasmas or CAP, is to build a sizeable interdisciplinary knowledge base with which to unravel, optimize, and indeed design how reactive plasma species interact with cells and their key components such as protein and DNA. Whilst a logical objective, it is a formidable challenge not least since existing knowledge of gas discharges is largely in the gas-phase and therefore not directly applicable to cell-containing matters that are covered by or embedded in liquid (e.g. biofluid). Here, we study plasma inactivation of biofilms, a jelly-like structure that bacteria use to protect themselves and a major source of antimicrobial resistance. As 60--90% of biofilm is made of water, we develop a holistic model incorporating physics and chemistry in the upstream CAP-generating region, a plasma-exit region as a buffer for as-phase transport, and a downstream liquid region bordering the gas buffer region. A special model is developed to account for rapid chemical reactions accompanied the transport of gas-phase plasma species through the gas-liquid interface and for liquid-phase chemical reactions. Numerical simulation is used to illustrate how key reactive oxygen species (ROS) are transported into the liquid, and this is supported with experimental data of both biofilm inactivation using plasmas and electron spin spectroscopy (ESR

Gas-Phase IR Spectroscopy of Deprotonated Amino Acids

NARCIS (Netherlands)

Oomens, J.; Steill, J. D.; Redlich, B.

2009-01-01

Gas-phase infrared multiple photon dissociation (IRMPD) spectra have been recorded for the conjugate bases of a series of amino acids (Asp, Cys, Glu, Phe, Set, Trp, Tyr). The spectra are dominated by strong symmetric and antisymmetric carboxylate stretching modes around 1300 and 1600 cm(-1),

Evolution of the Normal State of a Strongly Interacting Fermi Gas from a Pseudogap Phase to a Molecular Bose Gas

International Nuclear Information System (INIS)

Perali, A.; Palestini, F.; Pieri, P.; Strinati, G. C.; Stewart, J. T.; Gaebler, J. P.; Drake, T. E.; Jin, D. S.

2011-01-01

Wave-vector resolved radio frequency spectroscopy data for an ultracold trapped Fermi gas are reported for several couplings at T c , and extensively analyzed in terms of a pairing-fluctuation theory. We map the evolution of a strongly interacting Fermi gas from the pseudogap phase into a fully gapped molecular Bose gas as a function of the interaction strength, which is marked by a rapid disappearance of a remnant Fermi surface in the single-particle dispersion. We also show that our theory of a pseudogap phase is consistent with a recent experimental observation as well as with quantum Monte Carlo data of thermodynamic quantities of a unitary Fermi gas above T c .

Effective interactions approach to phase stability in alloys under irradiation

International Nuclear Information System (INIS)

Enrique, R.A.; Bellon, P.

1999-01-01

Phase stability in alloys under irradiation is studied considering effective thermodynamic potentials. A simple kinetic model of a binary alloy with phase separation is investigated. Time evolution in the alloy results form two competing dynamics: thermal diffusion, and irradiation induced ballistic exchanges. The dynamical (steady state) phase diagram is evaluated exactly performing Kinetic Monte Carlo simulations. The solution is then compared to two theoretical frameworks: the effective quasi-interactions model as proposed by Vaks and Kamishenko, and the effective free energy model as proposed by Martin. New developments of these models are proposed to allow for quantitative comparisons. Both theoretical frameworks yield fairly good approximations to the dynamical phase diagram

Effective interactions approach to phase stability in alloys under irradiation

International Nuclear Information System (INIS)

Enrique, R.A.; Bellon, P.

1999-01-01

Phase stability in alloys under irradiation is studied considering effective thermodynamic potentials. A simple kinetic model of a binary alloy with phase separation is investigated. Time evolution in the alloy results from two competing dynamics: thermal diffusion, and irradiation induced ballistic exchanges The dynamical (steady state) phase diagram is evaluated exactly performing Kinetic Monte Carlo simulations. The solution is then compared to two theoretical frameworks: the effective quasi-interactions model as proposed by Vaks and Kamishenko, and the effective free energy model as proposed by Martin. New developments of these models are proposed to allow for quantitative comparisons. Both theoretical frameworks yield fairly good approximations to the dynamical phase diagram

In Situ Environmental TEM in Imaging Gas and Liquid Phase Chemical Reactions for Materials Research.

Science.gov (United States)

Wu, Jianbo; Shan, Hao; Chen, Wenlong; Gu, Xin; Tao, Peng; Song, Chengyi; Shang, Wen; Deng, Tao

2016-11-01

Gas and liquid phase chemical reactions cover a broad range of research areas in materials science and engineering, including the synthesis of nanomaterials and application of nanomaterials, for example, in the areas of sensing, energy storage and conversion, catalysis, and bio-related applications. Environmental transmission electron microscopy (ETEM) provides a unique opportunity for monitoring gas and liquid phase reactions because it enables the observation of those reactions at the ultra-high spatial resolution, which is not achievable through other techniques. Here, the fundamental science and technology developments of gas and liquid phase TEM that facilitate the mechanistic study of the gas and liquid phase chemical reactions are discussed. Combined with other characterization tools integrated in TEM, unprecedented material behaviors and reaction mechanisms are observed through the use of the in situ gas and liquid phase TEM. These observations and also the recent applications in this emerging area are described. The current challenges in the imaging process are also discussed, including the imaging speed, imaging resolution, and data management. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Non-equilibrium phase stabilization versus bubble nucleation at a nanoscale-curved Interface

Science.gov (United States)

Schiffbauer, Jarrod; Luo, Tengfei

Using continuum dynamic van der Waals theory in a radial 1D geometry with a Lennard-Jones fluid model, we investigate the nature of vapor bubble nucleation near a heated, nanoscale-curved convex interface. Vapor bubble nucleation and growth are observed for interfaces with sufficiently large radius of curvature while phase stabilization of a superheated fluid layer occurs at interfaces with smaller radius. The hypothesis that the high Laplace pressure required for stable equilibrium of very small bubbles is responsible for phase stability is tested by effectively varying the parameter which controls liquid-vapor surface tension. In doing so, the liquid-vapor surface tension- hence Laplace pressure-is shown to have limited effect on phase stabilization vs. bubble nucleation. However, the strong dependence of nucleation on leading-order momentum transport, i.e. viscous dissipation, near the heated inner surface is demonstrated. We gratefully acknowledge ND Energy for support through the ND Energy Postdoctoral Fellowship program and the Army Research Office, Grant No. W911NF-16-1-0267, managed by Dr. Chakrapani Venanasi.

A local leaky-box model for the local stellar surface density-gas surface density-gas phase metallicity relation

Science.gov (United States)

Zhu, Guangtun Ben; Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Yan, Renbin; Brinkmann, Jonathan

2017-07-01

We revisit the relation between the stellar surface density, the gas surface density and the gas-phase metallicity of typical disc galaxies in the local Universe with the SDSS-IV/MaNGA survey, using the star formation rate surface density as an indicator for the gas surface density. We show that these three local parameters form a tight relationship, confirming previous works (e.g. by the PINGS and CALIFA surveys), but with a larger sample. We present a new local leaky-box model, assuming star-formation history and chemical evolution is localized except for outflowing materials. We derive closed-form solutions for the evolution of stellar surface density, gas surface density and gas-phase metallicity, and show that these parameters form a tight relation independent of initial gas density and time. We show that, with canonical values of model parameters, this predicted relation match the observed one well. In addition, we briefly describe a pathway to improving the current semi-analytic models of galaxy formation by incorporating the local leaky-box model in the cosmological context, which can potentially explain simultaneously multiple properties of Milky Way-type disc galaxies, such as the size growth and the global stellar mass-gas metallicity relation.

Propagation characteristics of pulverized coal and gas two-phase flow during an outburst.

Science.gov (United States)

Zhou, Aitao; Wang, Kai; Fan, Lingpeng; Tao, Bo

2017-01-01

Coal and gas outbursts are dynamic failures that can involve the ejection of thousands tons of pulverized coal, as well as considerable volumes of gas, into a limited working space within a short period. The two-phase flow of gas and pulverized coal that occurs during an outburst can lead to fatalities and destroy underground equipment. This article examines the interaction mechanism between pulverized coal and gas flow. Based on the role of gas expansion energy in the development stage of outbursts, a numerical simulation method is proposed for investigating the propagation characteristics of the two-phase flow. This simulation method was verified by a shock tube experiment involving pulverized coal and gas flow. The experimental and simulated results both demonstrate that the instantaneous ejection of pulverized coal and gas flow can form outburst shock waves. These are attenuated along the propagation direction, and the volume fraction of pulverized coal in the two-phase flow has significant influence on attenuation of the outburst shock wave. As a whole, pulverized coal flow has a negative impact on gas flow, which makes a great loss of large amounts of initial energy, blocking the propagation of gas flow. According to comparison of numerical results for different roadway types, the attenuation effect of T-type roadways is best. In the propagation of shock wave, reflection and diffraction of shock wave interact through the complex roadway types.

Investigation of the resistive phase in high power gas switching. Research and development report

International Nuclear Information System (INIS)

O'Rourke, R.C.

1977-01-01

A theoretical study was made of the resistive phase in high pressure gas switching with the regime of interest being (10 to 50) kV from (1J, 10ns, 100KHz) to (100J, 10μs, 1KHz). The resistive phase was examined as a function of applied field, gap spacing, inductance, gas type and pressure, and electrode material. The initiating and quenching phases as regards system performance (e.g., the jitter problem) were examined. The cooling and electrode debris removal effects of the vortex gas flow on the operating characteristics of the system were considered

Oxidative potential of gas phase combustion emissions - An underestimated and potentially harmful component of air pollution from combustion processes

Science.gov (United States)

Stevanovic, S.; Vaughan, A.; Hedayat, F.; Salimi, F.; Rahman, M. M.; Zare, A.; Brown, R. A.; Brown, R. J.; Wang, H.; Zhang, Z.; Wang, X.; Bottle, S. E.; Yang, I. A.; Ristovski, Z. D.

2017-06-01

The oxidative potential (OP) of the gas phase is an important and neglected aspect of environmental toxicity. Whilst prolonged exposure to particulate matter (PM) associated reactive oxygen species (ROS) have been shown to lead to negative health effects, the potential for compounds in gas phase to cause similar effects is yet to be understood. In this study we describe: the significance of the gas phase OP generated through vehicle emissions; discuss the origin and evolution of species contributing to measured OP; and report on the impact of gas phase OP on human lung cells. The model aerosol for this study was exhaust emitted from a Euro III Common-rail diesel engine fuelled with different blends of diesel and biodiesel. The gas phase of these emissions was found to be potentially as hazardous as the particle phase. Fuel oxygen content was found to negatively correlate with the gas phase OP, and positively correlate with particle phase OP. This signifies a complex interaction between reactive species present in gas and particle phase. Furthermore, this interaction has an overarching effect on the OP of both particle and gas phase, and therefore the toxicity of combustion emissions.

Molecular simulation of excess isotherm and excess enthalpy change in gas-phase adsorption.

Science.gov (United States)

Do, D D; Do, H D; Nicholson, D

2009-01-29

We present a new approach to calculating excess isotherm and differential enthalpy of adsorption on surfaces or in confined spaces by the Monte Carlo molecular simulation method. The approach is very general and, most importantly, is unambiguous in its application to any configuration of solid structure (crystalline, graphite layer or disordered porous glass), to any type of fluid (simple or complex molecule), and to any operating conditions (subcritical or supercritical). The behavior of the adsorbed phase is studied using the partial molar energy of the simulation box. However, to characterize adsorption for comparison with experimental data, the isotherm is best described by the excess amount, and the enthalpy of adsorption is defined as the change in the total enthalpy of the simulation box with the change in the excess amount, keeping the total number (gas + adsorbed phases) constant. The excess quantities (capacity and energy) require a choice of a reference gaseous phase, which is defined as the adsorptive gas phase occupying the accessible volume and having a density equal to the bulk gas density. The accessible volume is defined as the mean volume space accessible to the center of mass of the adsorbate under consideration. With this choice, the excess isotherm passes through a maximum but always remains positive. This is in stark contrast to the literature where helium void volume is used (which is always greater than the accessible volume) and the resulting excess can be negative. Our definition of enthalpy change is equivalent to the difference between the partial molar enthalpy of the gas phase and the partial molar enthalpy of the adsorbed phase. There is no need to assume ideal gas or negligible molar volume of the adsorbed phase as is traditionally done in the literature. We illustrate this new approach with adsorption of argon, nitrogen, and carbon dioxide under subcritical and supercritical conditions.

Heavy haze in winter Beijing driven by fast gas phase oxidation

Science.gov (United States)

Lu, K.; Tan, Z.; Wang, H.; Li, X.; Wu, Z.; Chen, Q.; Wu, Y.; Ma, X.; Liu, Y.; Chen, X.; Shang, D.; Dong, H.; Zeng, L.; Shao, M.; Hu, M.; Fuchs, H.; Novelli, A.; Broch, S.; Hofzumahaus, A.; Holland, F.; Rohrer, F.; Bohn, B.; Georgios, G.; Schmitt, S. H.; Schlag, P.; Kiendler-Scharr, A.; Wahner, A.; Zhang, Y.

2017-12-01

Heavy haze conditions were frequently presented in the airsheds of Beijing and surrounding areas, especially during winter time. To explore the trace gas oxidation and the subsequent formation of aerosols, a comprehensive field campaign was performed at a regional site (in the campus of University of Chinese Academy of Science, UCAS) in Beijing winter 2016. Serious haze pollution processes were often observed with the fast increase of inorganic salt (especially nitrate) and these pollutions were always associated with enhanced humidity and the concentrations of PAN (PeroxyAcyl Nitrates) which is normally a marker of gas phase oxidations from NOx and VOCs. Moreover, based on the measurements of OH, HO2, RO2, total OH reactivity, N2O5, NO, NO2, SO2, particle concentrations/distributions/chemical compositions, and meteorological parameters, the gas phase oxidation rates that leads to the formation of sulfate, nitrate and secondary organic aerosols were estimated. These determined formation rates were clearly enhanced by several folds during pollution episodes compared to that of the clean air masses. Preliminary analysis result showed that the gas phase formation potential of nitrate and secondary organic aerosols were larger than the observed concentrations of nitrate and SOA of which the excess production may be explained by deposition and dilution.

Gas phase toluene isopropylation over high silica mordenite

Indian Academy of Sciences (India)

Mordenite (HM) catalysts with three different Si/Al ratios were compared for their activity and selectivities in gas phase toluene isopropylation with isopropanol. Catalyst with Si/Al ratio 44.9 offered better cumene selectivity, hence, it was chosen for detailed kinetic investigations. The influence of various process parameters ...

A computational and spectroscopic study of the gas-phase conformers of adrenaline

Science.gov (United States)

Çarçabal, P.; Snoek, L. C.; van Mourik, T.

The conformational landscapes of the neurotransmitter l-adrenaline (l-epinephrine) and its diastereoisomer pseudo-adrenaline, isolated in the gas phase and un-protonated, have been investigated by using a combination of mass-selected ultraviolet and infrared holeburn spectroscopy, following laser desorption of the sample into a pulsed supersonic argon jet, and DFT and ab initio computation (at the B3LYP/6-31+G*, MP2/6-31+G* and MP2/aug-cc-pVDZ levels of theory). Both for adrenaline and its diastereoisomer, pseudo-adrenaline, one dominant molecular conformation, very similar to the one seen in noradrenaline, has been observed. It could be assigned to an extended side-chain structure (AG1a) stabilized by an OH → N intramolecular hydrogen bond. An intramolecular hydrogen bond is also formed between the neighbouring hydroxyl groups on the catechol ring. The presence of further conformers for both diastereoisomers could not be excluded, but overlapping electronic spectra and low ion signals prevented further assignments.

GAS-PHASE CHEMISTRY OF THE CYANATE ION, OCN−

International Nuclear Information System (INIS)

Cole, Callie A.; Wang, Zhe-Chen; Bierbaum, Veronica M.; Snow, Theodore P.

2015-01-01

Cyanate (OCN − ) is the only ion to date whose presence has been confirmed in the icy mantles that coat interstellar dust grains. Understanding the chemical behavior of cyanate at a fundamental level is therefore integral to the advancement of astrochemistry. We seek to unravel the chemistry of this intriguing anion through a combination of gas-phase experiments and theoretical explorations. Our approach is twofold: first, employing a flowing afterglow-selected ion flow tube apparatus, the reactions between OCN − and three of the most abundant atomic species in the interstellar medium, hydrogen, nitrogen, and oxygen, are examined. Hydrogen atoms readily react by associative detachment, but the remarkable stability of OCN − does not give rise to an observable reaction with either nitrogen or oxygen atoms. To explain these results, the potential energy surfaces of several reactions are investigated at the B3LYP/6-311++G(d,p) level of theory. Second, collision induced dissociation experiments involving deprotonated uracil, thymine, and cytosine in an ion trap mass spectrometer reveal an interesting connection between these pyrimidine nucleobase anions and OCN − . Theoretical calculations at the B3LYP/6-311++G(d,p) level of theory are performed to delineate the mechanisms of dissociation and explore the possible role of OCN − as a biomolecule precursor

An Untrodden Path: Versatile Fabrication of Self-Supporting Polymer-Stabilized Percolation Membranes (PSPMs) for Gas Separation.

Science.gov (United States)

Friebe, Sebastian; Mundstock, Alexander; Schneider, Daniel; Caro, Jürgen

2017-05-11

The preparation and scalability of zeolite or metal organic framework (MOF) membranes remains a major challenge, and thus prevents the application of these materials in large-scale gas separation. Additionally, several zeolite or MOF materials are quite difficult or nearly impossible to grow as defect-free layers, and require expensive macroporous ceramic or polymer supports. Here, we present new self-supporting zeolite and MOF composite membranes, called Polymer-Stabilized Percolation Membranes (PSPMs), consisting of a pressed gas selective percolation network (in our case ZIF-8, NaX and MIL-140) and a gas-impermeable infiltrated epoxy resin for cohesion. We demonstrate the performance of these PSPMs by separating binary mixtures of H 2 /CO 2 and H 2 /CH 4 . We report the brickwork-like architecture featuring selective percolation pathways and the polymer as a stabilizer, compare the mechanical stability of said membranes with competing materials, and give an outlook on how economic these membranes may become. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Isothermal phase equilibria for the (HFC-32 + HFC-134a) mixed-gas hydrate system

International Nuclear Information System (INIS)

Miyauchi, Hiroshi; Yasuda, Kenjiro; Matsumoto, Yuuki; Hashimoto, Shunsuke; Sugahara, Takeshi; Ohgaki, Kazunari

2012-01-01

Highlights: ► Structural phase transition results in the heterogeneous azeotropic-like behaviour. ► HFC-134a molecules, in spite of an s-II former, occupy the large cages of s-I. ► Negative azeotropic-like behaviour becomes more remarkable at higher temperatures. - Abstract: Isothermal phase equilibria (pressure-composition relations in hydrate, gas, and aqueous phases) in the {difluoromethane (HFC-32) + 1,1,1,2-tetrafluoroethane (HFC-134a)} mixed-gas hydrate system were measured at the temperatures 274.15 K, 279.15 K, and 283.15 K. The heterogeneous azeotropic-like behaviour derived from the structural phase transition of (HFC-32 + HFC-134a) mixed-gas hydrates appears over the whole temperature range of the present study. In addition to the heterogeneous azeotropic-like behaviour, the isothermal phase equilibrium curves of the (HFC-32 + HFC-134a) mixed-gas hydrate system exhibit the negative homogeneous azeotropic-like behaviour at temperatures 279.15 K and 283.15 K. The negative azeotropic-like behaviour, which becomes more remarkable at higher temperatures, results in the lower equilibrium pressure of (HFC-32 + HFC-134a) mixed-gas hydrates than those of both simple HFC-32 and HFC-134a hydrates. Although the HFC-134a molecule forms the simple structure-II hydrate at the temperatures, the present findings reveal that HFC-134a molecules occupy a part of the large cages of the structure-I mixed-gas hydrate.

Transport of Gas Phase Radionuclides in a Fractured, Low-Permeability Reservoir

Science.gov (United States)

Cooper, C. A.; Chapman, J.

2001-12-01

The U.S. Atomic Energy Commission (predecessor to the Department of Energy, DOE) oversaw a joint program between industry and government in the 1960s and 1970s to develop technology to enhance production from low-permeability gas reservoirs using nuclear stimulation rather than conventional means (e.g., hydraulic and/or acid fracturing). Project Rio Blanco, located in the Piceance Basin, Colorado, was the third experiment under the program. Three 30-kiloton nuclear explosives were placed in a 2134 m deep well at 1780, 1899, and 2039 m below the land surface and detonated in May 1973. Although the reservoir was extensively fractured, complications such as radionuclide contamination of the gas prevented production and subsequent development of the technology. Two-dimensional numerical simulations were conducted to identify the main transport processes that have occurred and are currently occurring in relation to the detonations, and to estimate the extent of contamination in the reservoir. Minor modifications were made to TOUGH2, the multiphase, multicomponent reservoir simulator developed at Lawrence Berkeley National Laboratories. The simulator allows the explicit incorporation of fractures, as well as heat transport, phase change, and first order radionuclide decay. For a fractured two-phase (liquid and gas) reservoir, the largest velocities are of gases through the fractures. In the gas phase, tritium and one isotope of krypton are the principle radionuclides of concern. However, in addition to existing as a fast pathway, fractures also permit matrix diffusion as a retardation mechanism. Another retardation mechanism is radionuclide decay. Simulations show that incorporation of fractures can significantly alter transport rates, and that radionuclides in the gas phase can preferentially migrate upward due to the downward gravity drainage of liquid water in the pores. This project was funded by the National Nuclear Security Administration, Nevada Operations Office

Defect formation in fluoropolymer films at their condensation from a gas phase

Science.gov (United States)

Luchnikov, P. A.

2018-01-01

The questions of radiation defects, factors of influence of electronic high-frequency discharge plasma components on the molecular structure and properties of the fluoropolymer vacuum films synthesized on a substrate from a gas phase are considered. It is established that at sedimentation of fluoropolymer coverings from a gas phase in high-frequency discharge plasma in films there are radiation defects in molecular and supramolecular structure because of the influence of active plasma components which significantly influence their main properties.

The gas chimney formation during the steam explosion premixing phase

International Nuclear Information System (INIS)

Leskovar, M.

2001-01-01

The crucial part in isothermal premixing experiment simulation is the correct prediction of the gas chimney, which forms when the spheres penetrate into water. The first simulation results with the developed original combined multiphase model showed that the gas chimney starts to close at the wrong place at the top of the chimney and not in the middle, like it was observed in the experiments. To find the physical explanation for this identified weakness of our numerical model a comprehensive parametric analysis (mesh size, initial water-air surface thickness, water density, momentum coupling starting position) has been performed. It was established that the reason for the unphysical gas chimney closing at the top could be the gradual air-water density transition in the experiment model, since there is due to the finite differences description always a transition layer with intermediate phases density over the pure water phase. It was shown that this difference between our numerical model and the experiment can be somewhat compensated if the spheres interfacial drag coefficient at the upmost mesh plane of the unphysical air-water transition layer is artificially risen. On this way a more correct gas chimney formation can be obtained.(author)

Radical Reactions in the Gas Phase: Recent Development and Application in Biomolecules

Directory of Open Access Journals (Sweden)

Yang Gao

2014-01-01

Full Text Available This review summarizes recent literature describing the use of gas phase radical reactions for structural characterization of complex biomolecules other than peptides. Specifically, chemical derivatization, in-source chemical reaction, and gas phase ion/ion reactions have been demonstrated as effective ways to generate radical precursor ions that yield structural informative fragments complementary to those from conventional collision-induced dissociation (CID. Radical driven dissociation has been applied to a variety of biomolecules including peptides, nucleic acids, carbohydrates, and phospholipids. The majority of the molecules discussed in this review see limited fragmentation from conventional CID, and the gas phase radical reactions open up completely new dissociation channels for these molecules and therefore yield high fidelity confirmation of the structures of the target molecules. Due to the extensively studied peptide fragmentation, this review focuses only on nonpeptide biomolecules such as nucleic acids, carbohydrates, and phospholipids.

First-principles study of noble gas stability in ThO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Shao, Kuan [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Han, Han, E-mail: hanhanfudan@gmail.com [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Zhang, Wei [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Wang, Hui [School of Physics and Engineering, Henan University of Science and Technology, Luoyang 471003 (China); Wang, Chang-Ying; Guo, Yong-Liang [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Ren, Cui-Lan [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China)

2017-07-15

The stability of noble gases (He, Ne, Ar, Kr and Xe) in thorium dioxide is studied by means of density functional theory. The computations are performed considering insertion sites of ThO{sub 2}, including the interstitial sites, the thorium vacancies, the oxygen-thorium di-vacancy and three types of Schottky defects. Our results show that there is an approximately linear relation between the energies and the atomic radii. As the size of the noble gas atom increases, the noble gas atoms energetically prefer to incorporate into large vacancy defects rather than into interstitial positions. Moreover, the binding energy of Kr or Xe interstitial in a Schottky defect is larger than the formation energy of a Schottky defect, suggesting the Schottky defects are thermodynamically favorable in the presence of these noble gas atoms. The charged defects are also considered for noble gas atoms trapped in Th and O vacancies.

Stabilization of Phase of a Sinusoidal Signal Transmitted Over Optical Fiber

Science.gov (United States)

DAddario, Larry R.; Trink, Joseph T.

2010-01-01

In the process of connecting widely distributed antennas into a coherent array, it is necessary to synchronize the timing of signals at the various locations. This can be accomplished by distributing a common reference signal from a central source, usually over optical fiber. A high-frequency (RF or microwave) tone is a good choice for the reference. One difficulty is that the effective length of the optical fiber changes with temperature and mechanical stress, leading to phase instability in the received tone. This innovation provides a new way to stabilize the phase of the received tone, in spite of variations in the electrical length of the fiber. Stabilization is accomplished by two-way transmission in which part of the received signal is returned to the transmitting end over an identical fiber. The returned signal is detected and used to close an electrical servo loop whose effect is to keep constant the phase of the tone at the receiving end.

Phase stability and electronic structure of transition-metal aluminides

International Nuclear Information System (INIS)

Carlsson, A.E.

1992-01-01

This paper will describe the interplay between die electronic structure and structural energetics in simple, complex, and quasicrystalline Al-transition metal (T) intermetallics. The first example is the Ll 2 -DO 22 competition in Al 3 T compounds. Ab-initio electronic total-energy calculations reveal surprisingly large structural-energy differences, and show that the phase stability of both stoichiometric and ternary-substituted compounds correlates closely with a quasigap in the electronic density of states (DOS). Secondly, ab-initio calculations for the structural stability of the icosahedrally based Al 12 W structure reveal similar quasigap effects, and provide a simple physical explanation for the stability of the complex aluminide structures. Finally, parametrized tight-binding model calculations for the Al-Mn quasicrystal reveal a large spread in the local Mn DOS behavior, and support a two-site model for the quasicrystal's magnetic behavior

Study of Iodine Behavior in the Gas Phase during a Severe Accident

International Nuclear Information System (INIS)

Kim, Hanchul; Cho, Yeonghun; Ryu, Myunghyun

2014-01-01

Among the iodine species, the organic iodides produced from the reaction between iodine and organics such as paint, are not easily trapped by the filters during the containment venting following a severe accident. Korea Institute of Nuclear Safety (KINS) has been studying this issue, joining international research programs such as ISTP-EPICUR, OECDBIP and OECD-STEM. In the course of this study, a simple iodine model, RAIM (Radio-Active Iodine chemistry Model) has been developed (Oh et al., 2011), based on the IMOD methodology, and other previous studies. This paper deals with our recent activities on this study, including the development of the model for the iodine reactions in gas phase. Iodine reactions in gas phase were modeled and added to the RAIM code, taking into account several relevant reactions such as formation of ARP, iodine oxide, and organic iodides in gas phase. RAIM was then applied to analyze the S2-6-5-2 test for which iodine-loaded coupons were tested in gas phase. The analysis results show a reasonable estimation of volatile iodine concentration with the desorption rate constant of about 10 -6 s -1 , while those of the other iodine species overestimated for the whole period of the test. It reveals the need to determine appropriate values for the rate constants for formation of iodine oxides and organic iodides

The effect of the virtual mass force term on the stability of transient two-phase flow analysis

International Nuclear Information System (INIS)

Watanabe, Tadashi; Hirano, Masashi; Tanabe, Fumiya

1989-08-01

The effect of the virtual mass force term on the stability of transient two-phase flow analysis is studied. The objective form of the virtual mass acceleration is used. The virtual mass coefficient is determined from the stability condition of basic equations against infinitesimal high wave-number perturbations. The parameter is chosen so that a reasonable agreement between the analytical and experimental sound speed in two-phase flows can be obtained. A one-dimensional sedimentation problem is simulated by the MINCS code which is a tool for transient two-phase flow analysis. The stability analysis is performed for the numerical procedure. It is shown that calculated results are stabilized so long as the virtual mass coefficient satisfies the stability condition of differential equations. (author)

Polymer confined in membrane phases: influences on stability, structure and dynamics

International Nuclear Information System (INIS)

Javierre, Isabelle

1999-01-01

The addition of a hydrosoluble polymer to the different structures obtained with mixtures of water/surfactant/alcohol/oil alters the thermodynamic stability of microemulsion and lamellar phases. The reverse sponge phase disappears while one can observe the occurrence of a new phase, labelled L5, at intermediate polymer concentration. In polymer-'doped' solvent lamellar phase, the polymer induces an attractive contribution to the interaction between bilayers while in polymer-'doped' bilayers lamellar phase, the polymer increases the flexibility. The L5 phase exhibits symmetric sponge properties and furthermore presents very strong symmetry fluctuations. The relaxation of these fluctuations were experimentally evidenced for the first time. This unusual dynamic behaviour was confronted to the one of other sponge phases, in a large range of concentrations. (author) [fr

Characterizing the correlations between local phase fractions of gas-liquid two-phase flow with wire-mesh sensor.

Science.gov (United States)

Tan, C; Liu, W L; Dong, F

2016-06-28

Understanding of flow patterns and their transitions is significant to uncover the flow mechanics of two-phase flow. The local phase distribution and its fluctuations contain rich information regarding the flow structures. A wire-mesh sensor (WMS) was used to study the local phase fluctuations of horizontal gas-liquid two-phase flow, which was verified through comparing the reconstructed three-dimensional flow structure with photographs taken during the experiments. Each crossing point of the WMS is treated as a node, so the measurement on each node is the phase fraction in this local area. An undirected and unweighted flow pattern network was established based on connections that are formed by cross-correlating the time series of each node under different flow patterns. The structure of the flow pattern network reveals the relationship of the phase fluctuations at each node during flow pattern transition, which is then quantified by introducing the topological index of the complex network. The proposed analysis method using the WMS not only provides three-dimensional visualizations of the gas-liquid two-phase flow, but is also a thorough analysis for the structure of flow patterns and the characteristics of flow pattern transition. This article is part of the themed issue 'Supersensing through industrial process tomography'. © 2016 The Author(s).

Research in Korea on Gas Phase Synthesis and Control of Nanoparticles

International Nuclear Information System (INIS)

Choi, Mansoo

2001-01-01

Research activity into the gas phase synthesis of nanoparticles has witnessed rapid growth on a worldwide basis, which is also reflected by Korean research efforts. Nanoparticle research is inherently a multi-disciplinary activity involving both science and engineering. In this paper, the recent studies undertaken in Korea on the gas phase synthesis and control of nanoparticles are reviewed. Studies on the synthesis of various kinds of nanoparticles are first discussed with a focus on the different types of reactors used. Recent experimental and theoretical studies and newly developed methods of measuring and modeling nanoparticle growth are also reviewed

AC system stabilization via phase shift transformer with thyristor commutation

Energy Technology Data Exchange (ETDEWEB)

Oliveira, Jose Carlos de; Guimaraes, Geraldo Caixeta; Moraes, Adelio Jose [Uberlandia Univ., MG (Brazil); Abreu, Jose Policarpo G. de [Escola Federal de Engenharia de Itajuba, MG (Brazil); Oliveira, Edimar Jose de [Juiz de Fora Univ., MG (Brazil)

1994-12-31

This article aims to present initially the constructive and operative forms of a phase-shift autotransformer which provides both magnitude and phase angle change through thyristor commutation, including a technic to reduce the number of thyristors. Following, it is proposed a control system to make such equipment an efficient AC system stabilizing tool. It is presented some simulation results to show the operation of this transformer in an electrical system. (author) 3 refs., 11 figs., 3 tabs.

Shear viscosity of neutron-rich nucleonic matter near its liquid–gas phase transition

International Nuclear Information System (INIS)

Xu, Jun; Chen, Lie-Wen; Ko, Che Ming; Li, Bao-An; Ma, Yu Gang

2013-01-01

Within a relaxation time approach using free nucleon–nucleon cross sections modified by the in-medium nucleon masses that are determined from an isospin- and momentum-dependent effective nucleon–nucleon interaction, we investigate the specific shear viscosity (η/s) of neutron-rich nucleonic matter near its liquid–gas phase transition. It is found that as the nucleonic matter is heated at fixed pressure or compressed at fixed temperature, its specific shear viscosity shows a valley shape in the temperature or density dependence, with the minimum located at the boundary of the phase transition. Moreover, the value of η/s drops suddenly at the first-order liquid–gas phase transition temperature, reaching as low as 4–5 times the KSS bound of ℏ/4π. However, it varies smoothly for the second-order liquid–gas phase transition. Effects of the isospin degree of freedom and the nuclear symmetry energy on the value of η/s are also discussed

The gas phase structure of α -pinene, a main biogenic volatile organic compound

Science.gov (United States)

Neeman, Elias M.; Avilés Moreno, Juan Ramón; Huet, Thérèse R.

2017-12-01

The gas phase structure of the bicyclic atmospheric aerosol precursor α-pinene was investigated employing a combination of quantum chemical calculation and Fourier transform microwave spectroscopy coupled to a supersonic jet expansion. The very weak rotational spectra of the parent species and all singly substituted 13C in natural abundance have been identified, from 2 to 20 GHz, and fitted to Watson's Hamiltonian model. The rotational constants were used together with geometrical parameters from density functional theory and ab initio calculations to determine the rs, r0, and rm(1 ) structures of the skeleton, without any structural assumption in the fit concerning the heavy atoms. The double C=C bond was found to belong to a quasiplanar skeleton structure containing 6 carbon atoms. Comparison with solid phase structure is reported. The significant differences of α-pinene in gas phase and other gas phase bicyclic monoterpene structures (β-pinene, nopinone, myrtenal, and bicyclo[3.1.1]heptane) are discussed.

Site preference and phase stability of Ti doping Ni–Mn–Ga shape memory alloys from first-principles calculations

International Nuclear Information System (INIS)

Gao, Zhiyong; Chen, Baishu; Meng, Xianglong; Cai, Wei

2013-01-01

Highlights: •Site preference and phase stability of NiMnGaTi are studied by first-principles. •The Ti atoms prefer to occupy the Ga sites in the Ni 2 MnGa austenitic phase. •The phase stability becomes worse when Ga is replaced by Ti. •The phase stability is discussed based on the densities of states. -- Abstract: The effects of Ti content on martensitic transformation and phase stability of Ni 50 Mn 25 Ga 25−x Ti x shape memory alloys were investigated from first-principles calculations based on density functional theory. The formation energy results indicate that the added Ti preferentially occupies the Ga sites in Ni 2 MnGa alloy due to the lowest formation energy. The total energy difference between austenite and martensite increases with Ti alloying, being relevant to the experimentally reported changes in martensitic transformation temperature. The phase stability of Ni 50 Mn 25 Ga 25−x Ti x austenite decreases with increasing Ti content, which results from the reduced Ni 3d–Mn 3d hybridization when Ga is replaced by Ti

Structure and Stability of Deflagrations in Porous Energetic Materials

Energy Technology Data Exchange (ETDEWEB)

stephen B. Margolis; Forman A. Williams

1999-03-01

Theoretical two-phase-flow analyses have recently been developed to describe the structure and stability of multi-phase deflagrations in porous energetic materials, in both confined and unconfined geometries. The results of these studies are reviewed, with an emphasis on the fundamental differences that emerge with respect to the two types of geometries. In particular, pressure gradients are usually negligible in unconfined systems, whereas the confined problem is generally characterized by a significant gas-phase pressure difference, or overpressure, between the burned and unburned regions. The latter leads to a strong convective influence on the burning rate arising from the pressure-driven permeation of hot gases into the solid/gas region and the consequent preheating of the unburned material. It is also shown how asymptotic models that are suitable for analyzing stability may be derived based on the largeness of an overall activation-energy parameter. From an analysis of such models, it is shown that the effects of porosity and two-phase flow are generally destabilizing, suggesting that degraded propellants, which exhibit greater porosity than their pristine counterparts, may be more readily subject to combustion instability and nonsteady deflagration.

Gas phase collision dynamics by means of pulse-radiolysis methods

International Nuclear Information System (INIS)

Hatano, Yoshihiko

1989-01-01

After a brief survey of recent advances in gas-phase collision dynamics studies using pulse radiolysis methods, the following two topics in our research programs are presented with emphasis on the superior advantages of the pulse radiolysis methods over the various methods of gas-phase collision dynamics, such as beam methods, swarm methods and flow methods. One of the topics is electron attachment to van der Waals molecules. The attachment rates of thermal electrons to O 2 and other molecules in dense gases have been measured in wide ranges of both gas temperatures and pressures, from which experimental evidence has been obtained for electron attachment to van der Waals molecules. The results have been compared with theories and discussed in terms of the effect of van der Waals interaction on the electron attachment resonance. The obtained conclusions have been related with investigations of electron attachment, solvation and localization in the condensed phase. The other is Penning ionization and its related processes. The rate constants for the de-excitation of He(2 1 P), He(2 3 S), Ne( 3 P 0 ), Ne( 3 P 1 ), Ne( 3 P 2 ), Ar( 1 P 1 ), Ar( 3 P 1 ), by atoms and molecules have been measured in the temperature range from 100 to 300 K, thus obtaining the collisional energy dependence of the de-excitation cross sections. The results are compared in detail with theories classified according to the excited rare gas atoms in the metastable and resonance states. (author)

Reticulated Vitreous Carbon Electrodes for Gas Phase Pulsed Corona Reactors

National Research Council Canada - National Science Library

Locke, B

1998-01-01

A new design for gas phase pulsed corona reactors incorporating reticulated vitreous carbon electrodes is demonstrated to be effective for the removal of nitrogen oxides from synthetic air mixtures...

Reticulated Vitreous Carbon Electrodes for Gas Phase Pulsed Corona Reactors

National Research Council Canada - National Science Library

LOCKE, B

1999-01-01

A new design for gas phase pulsed corona reactors incorporating reticulated vitreous carbon electrodes is demonstrated to be effective for the removal of nitrogen oxides from synthetic air mixtures...

Carrier-envelope phase stabilization and control using a transmission grating compressor and an AOPDF.

Science.gov (United States)

Canova, Lorenzo; Chen, Xiaowei; Trisorio, Alexandre; Jullien, Aurélie; Assion, Andreas; Tempea, Gabriel; Forget, Nicolas; Oksenhendler, Thomas; Lopez-Martens, Rodrigo

2009-05-01

Carrier-envelope phase (CEP) stabilization of a femtosecond chirped-pulse amplification system featuring a compact transmission grating compressor is demonstrated. The system includes two amplification stages and routinely generates phase-stable (approximately 250 mrad rms) 2 mJ, 25 fs pulses at 1 kHz. Minimizing the optical pathway in the compressor enables phase stabilization without feedback control of the grating separation or beam pointing. We also demonstrate for the first time to the best of our knowledge, out-of-loop control of the CEP using an acousto-optic programmable dispersive filter inside the laser chain.

arXiv Simulation of gain stability of THGEM gas-avalanche particle detectors

CERN Document Server

Correia, P.M.M.; Azevedo, C.D.R.; Breskin, A.; Bressler, S.; Oliveira, C.A.B.; Silva, A.L.M.; Veenhof, R.; Veloso, J.F.C.A.

2018-01-19

Charging-up processes affecting gain stability in Thick Gas Electron Multipliers (THGEM) were studied with a dedicated simulation toolkit. Integrated with Garfield++, it provides an effective platform for systematic phenomenological studies of charging-up processes in MPGD detectors. We describe the simulation tool and the fine-tuning of the step-size required for the algorithm convergence, in relation to physical parameters. Simulation results of gain stability over time in THGEM detectors are presented, exploring the role of electrode-thickness and applied voltage on its evolution. The results show that the total amount of irradiated charge through electrode's hole needed for reaching gain stabilization is in the range of tens to hundreds of pC, depending on the detector geometry and operational voltage. These results are in agreement with experimental observations presented previously.

Investigation of phase stability in the scandia-zirconia; Investigacao da estabilidade de fases da zirconia-escandia

Energy Technology Data Exchange (ETDEWEB)

Grosso, Robson Lopes

2016-11-01

In this work, the phase stability of scandia-zirconia (ScSZ) system was investigated by the thermodynamic study of nanoparticles, within the range of 0 to 20 mol% Sc{sub 2}O{sub 3}, and by codoping of ZrO{sub 2}-10 mol% Sc{sub 2}O{sub 3} (10ScSZ) with Dy{sub 2}O{sub 3} and Nb{sub 2}O{sub 5}. The phase stability of ScSZ was evaluated based on thermodynamic data collected by water adsorption microcalorimetry and high temperature oxide melt solution. Nanostructured zirconia-scandia solid solutions were synthesized by coprecipitation method. Thermodynamic data were determined for ScSZ polymorph (monoclinic, tetragonal, cubic, rhombohedral β and γ) found by X-ray diffraction. This systemic work resulted in an unprecedented phase diagram at the nanoscale of particle size-composition. The effects of additives on 10ScSZ were investigated aiming to stabilize the cubic (c) structure at room temperature and to suppress the characteristic cubic-rhombohedral β phase transformation. Compositions were prepared by coprecipitation and solid state reaction. Materials were sintered by conventional and spark plasma sintering. Full stabilization of the cubic phase was attained by 1 mol% Dy{sub 2}O{sub 3} and 0.5 mol% Nb{sub 2}O{sub 5} additions. The smallest Nb{sub 2}O{sub 5} content required for cubic phase stabilization was attributed to liquid phase formation during sintering and to small ionic radius of Nb{sup 5+}. Results of high temperature X-ray diffraction and thermal analysis show suppression of the c-β transformation. Samples containing 0.5 mol% Nb{sub 2}O{sub 5} show total ionic conductivity similar to 10ScSZ without additives within a broad temperature range with high stability during 170 h at 600 °C. (author)

Maxwell's Law Based Models for Liquid and Gas Phase Diffusivities in Variably-Saturated Soil

DEFF Research Database (Denmark)

Mamamoto, Shoichiro; Møldrup, Per; Kawamoto, Ken

2012-01-01

-s,D-l). Different percolation threshold terms adopted from recent studies for gas (D-s,D-g) and solute (D-s,D-l) diffusion were applied. For gas diffusion, epsilon(th) was a function of bulk density (total porosity), while for solute diffusion theta(th) was best described by volumetric content of finer soil...... particles (clay and organic matter), FINESvol. The resulting LIquid and GAs diffusivity and tortuosity (LIGA) models were tested against D-s,D-g and D-s,D-l data for differently-textured soils and performed well against the measured data across soil types. A sensitivity analysis using the new Maxwell's Law...... based LIGA models implied that the liquid phase but not the gaseous-phase tortuosity was controlled by soil type. The analyses also suggested very different pathways and fluid-phase connectivity for gas and solute diffusion in unsaturated soil...

Gas-phase advanced oxidation as an integrated air pollution control technique

Directory of Open Access Journals (Sweden)

Getachew A. Adnew

2016-03-01

Full Text Available Gas-phase advanced oxidation (GPAO is an emerging air cleaning technology based on the natural self-cleaning processes that occur in the Earth’s atmosphere. The technology uses ozone, UV-C lamps and water vapor to generate gas-phase hydroxyl radicals that initiate oxidation of a wide range of pollutants. In this study four types of GPAO systems are presented: a laboratory scale prototype, a shipping container prototype, a modular prototype, and commercial scale GPAO installations. The GPAO systems treat volatile organic compounds, reduced sulfur compounds, amines, ozone, nitrogen oxides, particles and odor. While the method covers a wide range of pollutants, effective treatment becomes difficult when temperature is outside the range of 0 to 80 °C, for anoxic gas streams and for pollution loads exceeding ca. 1000 ppm. Air residence time in the system and the rate of reaction of a given pollutant with hydroxyl radicals determine the removal efficiency of GPAO. For gas phase compounds and odors including VOCs (e.g. C6H6 and C3H8 and reduced sulfur compounds (e.g. H2S and CH3SH, removal efficiencies exceed 80%. The method is energy efficient relative to many established technologies and is applicable to pollutants emitted from diverse sources including food processing, foundries, water treatment, biofuel generation, and petrochemical industries.

Evaluation of the stability and precipitation behavior of G phase in dual-phase stainless steels by thermodynamic calculations

International Nuclear Information System (INIS)

Horiuchi, Toshiaki; Ito, Shota; Minamoto, Satoshi

2017-01-01

Degradation of dual-phase stainless steel in nuclear power plants due to thermal ageing during long-term use is an important issue. This occurs mainly due to breakdown of the ferrite phase as a result of spinodal decomposition, followed by clustering or precipitation of the intermetallic G-phase compound, 'Ni 16 Si 7 Mn 6 ', which consists primarily of Ni, Si and Mn. The degradation mechanism is complicated because both radiation effects and thermal ageing simultaneously occur. However, only limited information is available concerning this phenomenon, and particularly regarding precipitation of the G phase. In the present study, thermodynamic equilibrium calculations were carried out for two types of dual-phase stainless steel (weld metal and cast steel) to evaluate the influence of the temperature and constituent elements on the stability of the G phase. The calculations were performed using the Thermo-Calc program with the thermodynamic database, FE-DATA (ver. 6). Precipitation of the G phase was investigated using the TC-PRISMA precipitation module together with the MOB2 diffusion database. It was found that for both types of steel, the G phase contains not only Ni, Si and Mn, but also small amounts of Fe and Cr. The stability of the G phase is dependent on the Ni, Mn, Cr, Si and Mo content in the original steel, and particularly on that of the latter two elements. Due to its higher Si content, the G phase was shown to be more stable in cast steel than in weld metal. (author)

Z phase stability in AISI 316LN + Nb austenitic steels during creep at 650 C

Energy Technology Data Exchange (ETDEWEB)

Vodarek, Vlastimil [Technical Univ. Ostrava (Czech Republic)

2010-07-01

The creep resistance of austenitic CrNi(Mo) steels strongly depends on microstructural stability during creep exposure. Nitrogen additions to CrNi(Mo) austenitic steels can significantly improve the creep strength. One of the most successful methods of improving the long-term creep resistance of austenitic steels is based on increasing the extent of precipitation strengthening during creep exposure. The role of precipitates in the achievements of good creep properties has been extensively studied for a long time. Although many minor phases are now well documented there are still contractions and missing thermodynamic data about some minor phases. This contribution deals with results of microstructural studies on the minor phase evolution in wrought AISI 316LN niobium stabilised steels during long-term creep exposure at 650 C. Microstructural investigations were carried out on specimens taken from both heads and gauge lengths of ruptured test-pieces by means of optical metallography, transmission and scanning electron microscopy. The attention has been paid to evaluation of thermodynamic and dimensional stability of Z phase and other nitrogen bearing minor phases. Only two nitrogen-bearing minor phases formed in the casts investigated: Z phase and M{sub 6}X. The dimensional stability of Z phase particles was very high. (orig.)

Structure, elastic properties and phase stability of Cr1-xAlxN

International Nuclear Information System (INIS)

Mayrhofer, P.H.; Music, D.; Reeswinkel, Th.; Fuss, H.-G.; Schneider, J.M.

2008-01-01

The effect of composition and metal sublattice population on the phase stability, structure and elastic properties of cubic (c), hexagonal (h) and orthorhombic spin-polarized Cr 1-x Al x N was studied using ab initio calculations. Excellent correlation between ab initio and experimentally obtained lattice parameters and elastic constants was obtained. The energy of formation suggests that the cubic phase can be stabilized for x in the range 0.48-0.75, depending on the metal sublattice population. The broad range of x, which is also observed in experiments, can be understood by considering the Al distribution induced changes in the configurational contribution to the total energy

MOLECULAR SPECTROSCPY AND REACTIONS OF ACTINIDES IN THE GAS PHASE AND CRYOGENIC MATRICES

Energy Technology Data Exchange (ETDEWEB)

Heaven, Michael C.; Gibson, John K.; Marcalo, Joaquim

2009-02-01

In this chapter we review the spectroscopic data for actinide molecules and the reaction dynamics for atomic and molecular actinides that have been examined in the gas phase or in inert cryogenic matrices. The motivation for this type of investigation is that physical properties and reactions can be studied in the absence of external perturbations (gas phase) or under minimally perturbing conditions (cryogenic matrices). This information can be compared directly with the results from high-level theoretical models. The interplay between experiment and theory is critically important for advancing our understanding of actinide chemistry. For example, elucidation of the role of the 5f electrons in bonding and reactivity can only be achieved through the application of experimentally verified theoretical models. Theoretical calculations for the actinides are challenging due the large numbers of electrons that must be treated explicitly and the presence of strong relativistic effects. This topic has been reviewed in depth in Chapter 17 of this series. One of the goals of the experimental work described in this chapter has been to provide benchmark data that can be used to evaluate both empirical and ab initio theoretical models. While gas-phase data are the most suitable for comparison with theoretical calculations, there are technical difficulties entailed in generating workable densities of gas-phase actinide molecules that have limited the range of species that have been characterized. Many of the compounds of interest are refractory, and problems associated with the use of high temperature vapors have complicated measurements of spectra, ionization energies, and reactions. One approach that has proved to be especially valuable in overcoming this difficulty has been the use of pulsed laser ablation to generate plumes of vapor from refractory actinide-containing materials. The vapor is entrained in an inert gas, which can be used to cool the actinide species to room

Influence of the extracted solute on the aggregation of malonamide extractant in organic phases: Consequences for phase stability

International Nuclear Information System (INIS)

Berthon, L.; Martinet, L.; Testard, F.; Madic, Ch.; Zem, Th.

2010-01-01

Due to their amphiphilic properties, malonamide molecules in alkane are organized in reverse micelle type aggregates, composed of a polar core formed by the malonamide polar heads and the extracted solutes, and surrounded by a hydrophobic shell made up of the extractant alkyl chains. The aggregates interact with one another through an attractive potential, leading to the formation of a third phase. This occurs with the splitting of the organic phase into a light phase composed mostly of diluent, and a heavy third phase containing highly concentrated extractant and solutes. In this article, we show that the aggregation (monomer concentration, domain of stability, and attractive potential between micelles) greatly depends on the nature of the extracted solute, whereas the size of aggregate (aggregation number) is only slightly influenced by this. We describe the extraction of water, nitric acid, neodymium nitrate and uranyl nitrate. Strongly polarizable species induce consistently large attraction potentials and a small stability domain for the dispersion of nano-droplets in the solvent. Highly polarizable ions such as lanthanides or uranyl induce more long-range attractive interactions than do protons. (authors)

Thermal Stability Test of Sugar Alcohols as Phase Change Materials for Medium Temperature Energy Storage Application

OpenAIRE

Solé, Aran; Neumann, Hannah; Niedermaier, Sophia; Cabeza, Luisa F.; Palomo, Elena

2014-01-01

Sugar alcohols are potential phase change materials candidates as they present high phase change enthalpy values, are non-toxic and low cost products. Three promising sugar-alcohols were selected: D-mannitol, myo-inositol and dulcitol under high melting enthalpy and temperature criterion. Thermal cycling tests were performed to study its cycling stability which can be determining when selecting the suitable phase change material. D-mannitol and dulcitol present poor thermal stability...

Controlling the position of a stabilized detonation wave in a supersonic gas mixture flow in a plane channel

Science.gov (United States)

Levin, V. A.; Zhuravskaya, T. A.

2017-03-01

Stabilization of a detonation wave in a stoichiometric hydrogen-air mixture flowing at a supersonic velocity into a plane symmetric channel with constriction has been studied in the framework of a detailed kinetic mechanism of the chemical interaction. Conditions ensuring the formation of a thrust-producing f low with a stabilized detonation wave in the channel are determined. The inf luence of the inf low Mach number, dustiness of the combustible gas mixture supplied to the channel, and output cross-section size on the position of a stabilized detonation wave in the f low has been analyzed with a view to increasing the efficiency of detonation combustion of the gas mixture. It is established that thrust-producing flow with a stabilized detonation wave can be formed in the channel without any energy consumption.

Structure of the gas-liquid annular two-phase flow in a nozzle section

International Nuclear Information System (INIS)

Yoshida, Kenji; Kataoka, Isao; Ohmori, Syuichi; Mori, Michitsugu

2006-01-01

Experimental studies on the flow behavior of gas-liquid annular two-phase flow passing through a nozzle section were carried out. This study is concerned with the central steam jet injector for a next generation nuclear reactor. In the central steam jet injector, steam/water annular two-phase flow is formed at the mixing nozzle. To make an appropriate design and to establish the high-performance steam injector system, it is very important to accumulate the fundamental data of the thermo-hydro dynamic characteristics of annular flow passing through a nozzle section. On the other hand, the transient behavior of multiphase flow, in which the interactions between two-phases occur, is one of the most interesting scientific issues and has attracted research attention. In this study, the transient gas-phase turbulence modification in annular flow due to the gas-liquid phase interaction is experimentally investigated. The annular flow passing through a throat section is under the transient state due to the changing cross sectional area of the channel and resultantly the superficial velocities of both phases are changed compared with a fully developed flow in a straight pipe. The measurements for the gas-phase turbulence were precisely performed by using a constant temperature hot-wire anemometer, and made clear the turbulence structure such as velocity profiles, fluctuation velocity profiles. The behavior of the interfacial waves in the liquid film flow such as the ripple or disturbance waves was also observed. The measurements for the liquid film thickness by the electrode needle method were also performed to measure the base film thickness, mean film thickness, maximum film thickness and wave height of the ripple or the disturbance waves. (author)

Zpif's law in the liquid gas phase transition of nuclei

Energy Technology Data Exchange (ETDEWEB)

Ma, Y.G. [China Center of Advanced Science and Technology (CCAST), Beijing, BJ (China). World Lab.; Shanghai Institute of Nuclear Research, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai 201800 (China)

1999-12-01

Zpif's law in the field of linguistics is tested in the nuclear disassembly within the framework of isospin dependent lattice gas model. It is found that the average cluster charge (or mass) of rank n in the charge (or mass) list shows exactly inversely to its rank, i.e., there exists Zpif's law, at the phase transition temperature. This novel criterion shall be helpful to search the nuclear liquid gas phase transition experimentally and theoretically. In addition, the finite size scaling of the effective phase transition temperature at which the Zpif's law appears is studied for several systems with different mass and the critical exponents of {nu} and {beta} are tentatively extracted. (orig.)

Influence of the nitrogen gas addition in the Ar shielding gas on the erosion-corrosion of tube-to-tube sheet welds of hyper duplex stainless steel

International Nuclear Information System (INIS)

Kim, Hye-Jin; Jeon, Soon-Hyeok; Kim, Soon-Tae; Lee, In-Sung; Park, Yong-Soo

2014-01-01

Duplex stainless steels with nearly equal fraction of the ferrite(α) phase and austenite(γ) phase have been increasingly used for various applications such as power plants, desalination facilities due to their high resistance to corrosion, good weldability, and excellent mechanical properties. Hyper duplex stainless steel (HDSS) is defined as the future duplex stainless steel with a pitting resistance equivalent (PRE= wt.%Cr+3.3(wt.%Mo+0.5wt.%W)+30wt.%N) of above 50. However, when HDSS is welded with gas tungsten arc (GTA), incorporation of nitrogen in the Ar shielding gas are very important because the volume fraction of α-phase and γ-phase is changed and harmful secondary phases can be formed in the welded zone. In other words, the balance of corrosion resistance between two phases and reduction of Cr 2 N are the key points of this study. The primary results of this study are as follows. The addition of N 2 to the Ar shielding gas provides phase balance under weld-cooling conditions and increases the transformation temperature of the α-phase to γ-phase, increasing the fraction of γ-phase as well as decreasing the precipitation of Cr2N. In the anodic polarization test, the addition of nitrogen gas in the Ar shielding gas improved values of the electrochemical parameters, compared to the Pure Ar. Also, in the erosion-corrosion test, the HDSS welded with shielding gas containing N 2 decreased the weight loss, compared to HDSS welded with the Ar pure gas. This result showed the resistance of erosion-corrosion was increased due to increasing the fraction of γ-phase and the stability of passive film according to the addition N 2 gas to the Ar shielding gas. As a result, the addition of nitrogen gas to the shielding gas improved the resistance of erosion-corrosion

Influence of the nitrogen gas addition in the Ar shielding gas on the erosion-corrosion of tube-to-tube sheet welds of hyper duplex stainless steel

Energy Technology Data Exchange (ETDEWEB)

Kim, Hye-Jin; Jeon, Soon-Hyeok; Kim, Soon-Tae; Lee, In-Sung; Park, Yong-Soo [Yonsei University, Seoul (Korea, Republic of)

2014-03-15

Duplex stainless steels with nearly equal fraction of the ferrite(α) phase and austenite(γ) phase have been increasingly used for various applications such as power plants, desalination facilities due to their high resistance to corrosion, good weldability, and excellent mechanical properties. Hyper duplex stainless steel (HDSS) is defined as the future duplex stainless steel with a pitting resistance equivalent (PRE= wt.%Cr+3.3(wt.%Mo+0.5wt.%W)+30wt.%N) of above 50. However, when HDSS is welded with gas tungsten arc (GTA), incorporation of nitrogen in the Ar shielding gas are very important because the volume fraction of α-phase and γ-phase is changed and harmful secondary phases can be formed in the welded zone. In other words, the balance of corrosion resistance between two phases and reduction of Cr{sub 2}N are the key points of this study. The primary results of this study are as follows. The addition of N{sub 2} to the Ar shielding gas provides phase balance under weld-cooling conditions and increases the transformation temperature of the α-phase to γ-phase, increasing the fraction of γ-phase as well as decreasing the precipitation of Cr2N. In the anodic polarization test, the addition of nitrogen gas in the Ar shielding gas improved values of the electrochemical parameters, compared to the Pure Ar. Also, in the erosion-corrosion test, the HDSS welded with shielding gas containing N{sub 2} decreased the weight loss, compared to HDSS welded with the Ar pure gas. This result showed the resistance of erosion-corrosion was increased due to increasing the fraction of γ-phase and the stability of passive film according to the addition N{sub 2} gas to the Ar shielding gas. As a result, the addition of nitrogen gas to the shielding gas improved the resistance of erosion-corrosion.

The Gas-Phase Formation of Methyl Formate in Hot Molecular Cores

Science.gov (United States)

Horn, Anne; Møllendal, Harald; Sekiguchi, Osamu; Uggerud, Einar; Roberts, Helen; Herbst, Eric; Viggiano, A. A.; Fridgen, Travis D.

2004-08-01

Methyl formate, HCOOCH3, is a well-known interstellar molecule prominent in the spectra of hot molecular cores. The current view of its formation is that it occurs in the gas phase from precursor methanol, which is synthesized on the surfaces of grain mantles during a previous colder era and evaporates while temperatures increase during the process of high-mass star formation. The specific reaction sequence thought to form methyl formate, the ion-molecule reaction between protonated methanol and formaldehyde followed by dissociative recombination of the protonated ion [HCO(H)OCH3]+, has not been studied in detail in the laboratory. We present here the results of both a quantum chemical study of the ion-molecule reaction between [CH3OH2]+ and H2CO as well as new experimental work on the system. In addition, we report theoretical and experimental studies for a variety of other possible gas-phase reactions leading to ion precursors of methyl formate. The studied chemical processes leading to methyl formate are included in a chemical model of hot cores. Our results show that none of these gas-phase processes produces enough methyl formate to explain its observed abundance.

Effect of positively charged short peptides on stability of cubic phases of monoolein/dioleoylphosphatidic acid mixtures.

Science.gov (United States)

Masum, Shah Md; Li, Shu Jie; Awad, Tarek S; Yamazaki, Masahito

2005-06-07

To elucidate the stability and phase transition of cubic phases of biomembranes with infinite periodic minimal surface is indispensable from biological and physicochemical aspects. In this report, we investigated the effect of positively charged peptide-3K (LLKKK) and poly(L-lysine) on the phase stability of monoolein (MO) membranes containing negatively charged dioleoylphosphatidic acid (DOPA) (i.e., DOPA/MO membranes) using small-angle X-ray scattering. At first, the effect of peptide-3K on 10% DOPA/90% MO membrane in excess water, which is in the Q229 phase, was investigated. At 3.4 mM peptide-3K, a Q229 to Q230 phase transition occurred, and at >3.4 mM peptide-3K, the membrane was in the Q230 phase. Poly(L-lysine) (M(w) 1K-4K) also induced the Q230 phase, but peptide-2K (LLKK) could not induce it in the same membrane. We also investigated the effect of peptide-3K on the multilamellar vesicle (MLV) of 25% DOPA/75% MO membrane, which is in L(alpha) phase. In the absence of peptide, the spacing of MLV was very large (11.3 nm), but at > or = 8 mM peptide-3K, it greatly decreased to a constant value (5.2 nm), irrespective of the peptide concentration, indicating that peptide-3K and the membranes form an electrostatically stabilized aggregation with low water content. Poly(L-lysine) also decreased greatly the spacing of the 25% DOPA/75% MO MLV, indicating the formation of a similar aggregation. To compare the effects of peptide-3K and poly(L-lysine) with that of osmotic stress on stability of the cubic phase, we investigated the effect of poly(ethylene glycol) with molecular weight 7500 (PEG-6K) on the phase stability of 10% DOPA/90% MO membrane. With an increase in PEG-6K concentration, i.e., with an increase in osmotic stress, the most stable phase changed as follows; Q229 (Schwartz's P surface) --> Q224 (D) --> Q230 (G). On the basis of these results, we discuss the mechanism of the effects of the positively charged short peptides (peptide-3K) and poly

Collision-induced dissociation of noncovalent complexes between vancomycin antibiotics and peptide ligand stereoisomers: evidence for molecular recognition in the gas phase

DEFF Research Database (Denmark)

Jørgensen, Thomas J. D.; Delforge, D; Remacle, J

1999-01-01

In solution, the antibiotics of the vancomycin group bind stereospecifically to peptides with the C-terminal sequence: -L-Lys-D-Ala-D-Ala, Substitution by a L-Ala at either of the two C-terminal residues causes a dramatic decrease in the binding affinity to the antibiotics. This solution behavior...... is clearly reflected in electrospray ionization (ESI) mass spectra obtained from equimolar mixtures of an antibiotic, an isotopically labelled peptide ligand and an unlabelled peptide stereoisomer. Using collision-induced dissociation (CID) we have probed the gas phase stability of isomeric (1:1) noncovalent...

Ab initio study of effects of substitutional additives on the phase stability of γ-alumina

International Nuclear Information System (INIS)

Jiang Kaiyun; Music, Denis; Sarakinos, Kostas; Schneider, Jochen M

2010-01-01

Using ab initio calculations, we have evaluated two structural descriptions of γ-Al 2 O 3 , spinel and tetragonal hausmannite, and explored the relative stability of γ-Al 2 O 3 with respect to α-Al 2 O 3 with 2.5 at.% of Si, Cr, Ti, Sc, and Y additives to identify alloying element induced electronic structure changes that impede the γ to α transition. The total energy calculations indicate that Si stabilizes γ-Al 2 O 3 , while Cr stabilizes α-Al 2 O 3 . As Si is added, a bond length increase in α-Al 2 O 3 is observed, while strong and short Si-O bonds are formed in γ-Al 2 O 3 , consequently stabilizing this phase. On the other hand, Cr additions induce a smaller bond length increase in α-Al 2 O 3 than in γ-Al 2 O 3 , therefore stabilizing the α-phase. The bulk moduli of γ-Al 2 O 3 with these additives show no significant changes. The phase stability and elastic property data discussed here underline the application potential of Si alloyed γ-Al 2 O 3 for applications at elevated temperatures. Furthermore it is evident that the tetragonal hausmannite structure is a suitable description for γ-Al 2 O 3 .

Angular intensity of a gas-phase field ionization source

International Nuclear Information System (INIS)

Orloff, J.; Swanson, L.W.

1979-01-01

Angular intensities of 1 μA sr -1 have been measured for a gas-phase field ionization source in an optical column under practical operating conditions. The source, which was differentially pumped and cooled to 77 K, utilized a -oriented iridium emitter and precooled hydrogen gas at 10 -2 Torr. The ion beam was collimated with an electrostatic lens and detected below an aperture subtending 0.164 msr. A transmitted current of approx.10 -10 A was measured at voltages corresponding to a field of approx. =2.2 V/A at the emitter

Magnetic resonance velocity imaging of liquid and gas two-phase flow in packed beds.

Science.gov (United States)

Sankey, M H; Holland, D J; Sederman, A J; Gladden, L F

2009-02-01

Single-phase liquid flow in porous media such as bead packs and model fixed bed reactors has been well studied by MRI. To some extent this early work represents the necessary preliminary research to address the more challenging problem of two-phase flow of gas and liquid within these systems. In this paper, we present images of both the gas and liquid velocities during stable liquid-gas flow of water and SF(6) within a packing of 5mm spheres contained within columns of diameter 40 and 27 mm; images being acquired using (1)H and (19)F observation for the water and SF(6), respectively. Liquid and gas flow rates calculated from the velocity images are in agreement with macroscopic flow rate measurements to within 7% and 5%, respectively. In addition to the information obtained directly from these images, the ability to measure liquid and gas flow fields within the same sample environment will enable us to explore the validity of assumptions used in numerical modelling of two-phase flows.

Two-Phase Gas-Liquid Flow Structure Characteristics under Periodic Cross Forces Action

Directory of Open Access Journals (Sweden)

V. V. Perevezentsev

2015-01-01

Full Text Available The article presents a study of two-phase gas-liquid flow under the action of periodic cross forces. The work objective is to obtain experimental data for further analysis and have structure characteristics of the two-phase flow movement. For research, to obtain data without disturbing effect on the flow were used optic PIV (Particle Image Visualization methods because of their noninvasiveness. The cross forces influence was provided by an experimental stand design to change the angular amplitudes and the periods of channel movement cycle with two-phase flow. In the range of volume gas rates was shown a water flow rate versus the inclination angle of immovable riser section and the characteristic angular amplitudes and periods of riser section inclination cycle under periodic cross forces. Data on distribution of average water velocity in twophase flow in abovementioned cases were also obtained. These data allowed us to draw a conclusion that a velocity distribution depends on the angular amplitude and on the period of the riser section roll cycle. This article belongs to publications, which study two-phase flows with no disturbing effect on them. Obtained data give an insight into understanding a pattern of twophase gas-liquid flow under the action of periodic cross forces and can be used to verify the mathematical models of the CFD thermo-hydraulic codes. In the future, the work development expects taking measurements with more frequent interval in the ranges of angular amplitudes and periods of the channel movement cycle and create a mathematical model to show the action of periodic cross forces on two-phase gas-liquid flow.

Stabilizing effect of gas conductivity evolution on the resistive sausage mode of a propagating beam

International Nuclear Information System (INIS)

Lampe, M.; Joyce, G.

1983-01-01

Previous theoretical work has shown that a highly current-neutralized charged particle beam propagating in a preionized plasma channel of fixed conductivity is subject to a resistive sausage instability. It is shown that the instability is stabilized, for the case of beam propagation into an initially un-ionized gas, when the effect of beam-collisional ionization on the gas conductivity is modeled fully self-consistently

Equation of state of an ideal gas with nonergodic behavior in two connected vessels.

Science.gov (United States)

Naplekov, D M; Semynozhenko, V P; Yanovsky, V V

2014-01-01

We consider a two-dimensional collisionless ideal gas in the two vessels connected through a small hole. One of them is a well-behaved chaotic billiard, another one is known to be nonergodic. A significant part of the second vessel's phase space is occupied by an island of stability. In the works of Zaslavsky and coauthors, distribution of Poincaré recurrence times in similar systems was considered. We study the gas pressure in the vessels; it is uniform in the first vessel and not uniform in second one. An equation of the gas state in the first vessel is obtained. Despite the very different phase-space structure, behavior of the second vessel is found to be very close to the behavior of a good ergodic billiard but of different volume. The equation of state differs from the ordinary equation of ideal gas state by an amendment to the vessel's volume. Correlation of this amendment with a share of the phase space under remaining intact islands of stability is shown.

Solid phase stability of a double-minimum interaction potential system

International Nuclear Information System (INIS)

Suematsu, Ayumi; Yoshimori, Akira; Saiki, Masafumi; Matsui, Jun; Odagaki, Takashi

2014-01-01

We study phase stability of a system with double-minimum interaction potential in a wide range of parameters by a thermodynamic perturbation theory. The present double-minimum potential is the Lennard-Jones-Gauss potential, which has a Gaussian pocket as well as a standard Lennard-Jones minimum. As a function of the depth and position of the Gaussian pocket in the potential, we determine the coexistence pressure of crystals (fcc and bcc). We show that the fcc crystallizes even at zero pressure when the position of the Gaussian pocket is coincident with the first or third nearest neighbor site of the fcc crystal. The bcc crystal is more stable than the fcc crystal when the position of the Gaussian pocket is coincident with the second nearest neighbor sites of the bcc crystal. The stable crystal structure is determined by the position of the Gaussian pocket. These results show that we can control the stability of the solid phase by tuning the potential function

Gas Migration Processes through the Gas Hydrate Stability Zone at Four-Way Closure Ridge Offshore SW Taiwan

Science.gov (United States)

Kunath, P.; Chi, W. C.; Berndt, C.; Liu, C. S.

2016-12-01

We have used 3D P-Cable seismic data from Four-Way-Closure Ridge, a NW-SE trending anticlinal ridge within the lower slope domain of accretionary wedge, to investigate the geological constraints influencing the fluid migration pattern in the shallow marine sediments. In the seismic data, fluid migration feature manifests itself as high reflection layers of dipping strata, which originate underneath a bottom simulating reflector (BSR) and extend towards the seafloor. Shoaling of the BSR near fluid migration pathways indicates a focused fluid flux, perturbing the temperature field. Furthermore, seafloor video footage confirmed the presence of recent methane seepage above seismically imaged fluid migration pathways. We plan to test two hypotheses for the occurrence of these fluid migration pathways: 1) the extensional regime under the anticlinal ridge crest caused the initiation of localized fault zones, acting as fluid conduits in the gas hydrate stability zone (GHSZ). 2) sediment deformation induced by focused fluid flow and massive growth and dissolution of gas hydrate, similar to processes controlling the evolution of pockmarks on the Nigerian continental margin. We suggest that these processes may be responsible for the formation of a massive hydrate core in the crest of the anticline, as inferred from other geophysical datasets. Triggering process for fluid migration cannot be clearly defined. However, the existence of blind thrust faults may help to advect deep-seated fluids. This may be augmented by biogenic production of shallow gas underneath the ridge, where the excess of gas enables the coexistence of gas, water, and gas hydrate within the GHSZ. Fluid migration structures may exists because of the buoyancy of gas-bearing fluids. This study shows a potential model on how gas-bearing fluids migrate upward towards structural highs, which might occur in other anticlinal structures around the world. Keywords: P-Cable, gas-hydrate, fluid flow, fault-related fold

Stability of test environments for performance evaluation of materials for the modular high-temperature gas-cooled reactor

International Nuclear Information System (INIS)

Edgemon, G.L.; Wilson, D.F.; Bell, G.E.C.

1993-01-01

Stability of the primary helium-based coolant test gas for use in performance ests of materials for the Modular High-Temperature Gas-Cooled Reactor (MHTGR) was determined. Results of tests of the initial gas chemistry from General Atomics (GA) at elevated temperatures, and the associated results predicted by the SOLGASMIX trademark modelling package are presented. Results indicated that for this gas composition and at flow rates obtainable in the test loop, 466 ± 24C is the highest temperature that can be maintained without significantly altering the specified gas chemistry. Four additional gas chemistries were modelled using SOLGASMIX trademark

Stability analysis of single-phase thermosyphon loops by finite difference numerical methods

International Nuclear Information System (INIS)

Ambrosini, W.

1998-01-01

In this paper, examples of the application of finite difference numerical methods in the analysis of stability of single-phase natural circulation loops are reported. The problem is here addressed for its relevance for thermal-hydraulic system code applications, in the aim to point out the effect of truncation error on stability prediction. The methodology adopted for analysing in a systematic way the effect of various finite difference discretization can be considered the numerical analogue of the usual techniques adopted for PDE stability analysis. Three different single-phase loop configurations are considered involving various kinds of boundary conditions. In one of these cases, an original dimensionless form of the governing equations is proposed, adopting the Reynolds number as a flow variable. This allows for an appropriate consideration of transition between laminar and turbulent regimes, which is not possible with other dimensionless forms, thus enlarging the field of validity of model assumptions. (author). 14 refs., 8 figs

Comprehensive Analysis of the Gas- and Particle-Phase Products of VOC Oxidation

Science.gov (United States)

Bakker-Arkema, J.; Ziemann, P. J.

2017-12-01

Controlled environmental chamber studies are important for determining atmospheric reaction mechanisms and gas and aerosol products formed in the oxidation of volatile organic compounds (VOCs). Such information is necessary for developing detailed chemical models for use in predicting the atmospheric fate of VOCs and also secondary organic aerosol (SOA) formation. However, complete characterization of atmospheric oxidation reactions, including gas- and particle-phase product yields, and reaction branching ratios, are difficult to achieve. In this work, we investigated the reactions of terminal and internal alkenes with OH radicals in the presence of NOx in an attempt to fully characterize the chemistry of these systems while minimizing and accounting for the inherent uncertainties associated with environmental chamber experiments. Gas-phase products (aldehydes formed by alkoxy radical decomposition) and particle-phase products (alkyl nitrates, β-hydroxynitrates, dihydroxynitrates, 1,4-hydroxynitrates, 1,4-hydroxycarbonyls, and dihydroxycarbonyls) formed through pathways involving addition of OH to the C=C double bond as well as H-atom abstraction were identified and quantified using a suite of analytical techniques. Particle-phase products were analyzed in real time with a thermal desorption particle beam mass spectrometer; and off-line by collection onto filters, extraction, and subsequent analysis of functional groups by derivatization-spectrophotometric methods developed in our lab. Derivatized products were also separated by liquid chromatography for molecular quantitation by UV absorbance and identification using chemical ionization-ion trap mass spectrometry. Gas phase aldehydes were analyzed off-line by collection onto Tenax and a 5-channel denuder with subsequent analysis by gas chromatography, or by collection onto DNPH-coated cartridges and subsequent analysis by liquid chromatography. The full product identification and quantitation, with careful

Modeling of gas-phase chemistry in the chemical vapor deposition of polysilicon in a cold wall system

Energy Technology Data Exchange (ETDEWEB)

Toprac, A.J.; Edgar, T.F.; Trachtenberg, I. (Univ. of Texas, Austin, TX (United States). Dept. of Chemical Engineering)

1993-06-01

The relative contribution of gas-phase chemistry to deposition processes is an important issue both from the standpoint of operation and modeling of these processes. In polysilicon deposition from thermally activated silane in a cold wall rapid thermal chemical vapor deposition (RTCVD) system, the relative contribution of gas-phase chemistry to the overall deposition rate was examined by a mass-balance model. Evaluating the process at conditions examined experimentally, the model indicated that gas-phase reactions may be neglected to good accuracy in predicting polysilicon deposition rate. The model also provided estimates of the level of gas-phase generated SiH[sub 2] associated with deposition on the cold-process chamber walls.

A direct comparison of protein structure in the gas and solution phase: the Trp-cage

DEFF Research Database (Denmark)

Patriksson, Alexandra; Adams, Christopher M; Kjeldsen, Frank

2007-01-01

Molecular dynamics simulations of zwitterions of the Trp-cage protein in the gas phase show that the most stable ion in vacuo has preserved the charge locations acquired in solution. A direct comparison of the gas and solution-phase structures reveals that, despite the similarity in charge location...

Fe-15Ni-13Cr austenitic stainless steels for fission and fusion reactor applications. II. Effects of minor elements on precipitate phase stability during thermal aging

International Nuclear Information System (INIS)

Lee, E.H.; Mansur, L.K.

2000-01-01

The precipitate phase stability in Fe-15Ni-13Cr base austenitic alloys was investigated as a function of minor alloying additions after thermally aging at 600 deg. C and 675 deg. C for times ranging from 24 h to one year. Seven major precipitate phases were found in aged specimens, including M 23 C 6 , Laves, Eta (η), TiO, NbC, MC, and M 2 P. The types and amounts of precipitate phases varied with alloying element additions, aging temperature, and aging time. By analyzing the composition of each individual particle, it was possible to determine the essential constituent elements for each phase. From this information, a strategy to promote or suppress certain precipitate phases was developed. Among the seven phases, the most desirable precipitate phases were considered to be MC and M 2 P, because these particles form on a fine scale with a high number density and, therefore, can serve as effective gas atom trap sites under irradiation

Stochastic description of cascade size effects on phase stability under irradiation

International Nuclear Information System (INIS)

Martin, G.; Bellon, P.

1988-01-01

Cascade size may affect phase stability under irradiation because of two distinct contributions: the replacement to displacement cross section ratio depends on the deposited energy density; ballistic jumps which tend to disorder ordere compounds occur by bursts (of size b), while thermal jumps which restored long range order occur one by one. The latter effect cannot be handled by standard rate theory. A stochastic treatment of the problem, based on a Fokker Planck approximation of the relevant master equation is summarized. It is shown that the possible values of the long range order parameter under irradiation are not affected by the size b of the bursts, but that the respective stability of the former is b dependent. As a consequence, the stability diagram of phases under irradiation varies with b. Such a diagram is computed for the Ni 4 Mo system where three structures are competing: the disordered solid solution, D1 a and DO 23 . A broadening by 100K of the stability domain of the short range ordered structure to the expense of the long range ordered one is predicted when increasing b from 1 to 100. The stochastic potentials introduced in the present treatment are by no means free energies of some constrained state. They can however be computed in a mean field type approximation. 23 refs

Nanoscale Phase Stability Reversal During the Nucleation and Growth of Titanium Oxide Minerals

Science.gov (United States)

Hummmer, D. R.; Heaney, P. J.; Kubicki, J. D.; Kent, P. R.; Post, J. E.

2008-12-01

Fine-grained titanium oxide minerals are important in soils, where they affect a variety of geochemical processes. They are also industrially important as catalysts, pigments, food additives, and dielectrics. Recent research has indicated an apparent reversal of thermodynamic stability between TiO2 phases at the nanoscale thought to be caused by an increased contribution of surface energy to the total free energy. Time-resolved X-ray diffraction (XRD) experiments in which titanium oxides crystallize from aqueous TiCl4 solutions confirm that anatase, a metastable phase, is always the first phase to nucleate under our range of initial conditions. Rutile peaks are observed only minutes after the first appearance of anatase, after which anatase abundance slowly decreases while rutile continues to form. Whole pattern refinement of diffraction data reveals that lattice constants of both phases increase throughout the crystallization process. In addition, transmission electron microscope (TEM) observations and kinetic modeling indicate that anatase does not undergo a solid-state transformation to the rutile structure as once thought. Instead, anatase appears to re-dissolve and then feed the growth of already nucleated rutile nanocrystals. Density functional theory (DFT) calculations were employed to model 1, 2, and 3 nm particles of both mineral phases. The total surface energies calculated from these models did yield lower values for anatase than for rutile by 8-13 kJ/mol depending on particle size, indicating that surface free energy is sufficient to account for stability reversal. However, these whole-particle surface energies were much higher than the sum of energies of each particle's constituent crystallographic surfaces. We attribute the excess energy to defects associated with the edges and corners of nanoparticles, which are not present on a 2-D periodic surface. This previously unreported edge and corner energy may play a dominant role in the stability reversal

Correlation between Thermal Treatment and Phase Transformation in Nanocrystalline Stabilized Zirconia

Directory of Open Access Journals (Sweden)

Tajudeen Oladele AHMED

2013-06-01

Full Text Available Stabilized zirconia produced via wet chemistry has chemically higher uniformity and purity. However, the grain size, particle shape, agglomerate size and specific surface area can be modified within certain degree by controlling the precipitation and sintering conditions. Generally, any physical or chemical difference between phases or effect occurring on the appearance or disappearance of a phase can be determined via thermal analysis and X-ray Diffractometry coupled with electron microscopy. In the last few decades, these materials have received tremendous attention globally in the field of defect solid-state devices. However, the challenge in this field of research has been to study thermal behaviour of these electrolytes during phase transformations and develop improved electrolytes with low activation temperature in the range of 600°C-800°C. In this paper, we report the wet chemistry of bismuth oxide stabilized zirconia having high experimental yield and low transformation temperature. Thus, the phase transformation from amorphous Zirconia to monoclinic is reported to begin above 600oC to an optimum temperature of 700oC. After calcination at 800oC for 4h, the powder have narrow particle size distribution in the range of 63-101µm. The average crystallite sizes of the synthesized powders range from 8-33nm.

Phase transitions in a vortex gas

International Nuclear Information System (INIS)

Shah, P.A.

1995-01-01

It has been shown recently that the motion of solitons at couplings around a critical coupling can be reduced to the dynamics of particles (the zeros of the Higgs field) on a curved manifold with potential. The curvature gives a velocity-dependent force, and the magnitude of the potential is proportional to the distance from a critical coupling. In this paper we apply this approximation to determining the equation of state of a gas of vortices in the abelian Higgs model. We derive a virial expansion using certain known integrals of the metric, and the second virial coefficient is calculated, determining the behaviour of the gas at low densities. A formula for determining higher-order coefficients is given. At low densities and temperatures T >>λ the equation of state is of the Van der Waals form (P+b N 2 /A 2 )(A-aN) = NT with a=4π and b=-4.89πλ where λ is a measure of the distance from critical coupling. It is found that there is no phase transition in a low-density type-II gas, but there is a transition in the type-I case between a condensed and gaseous state. We conclude with a discussion of the relation of our results to vortex behaviour in superconductors. ((orig.))

Methanol ice co-desorption as a mechanism to explain cold methanol in the gas-phase

Science.gov (United States)

Ligterink, N. F. W.; Walsh, C.; Bhuin, R. G.; Vissapragada, S.; van Scheltinga, J. Terwisscha; Linnartz, H.

2018-05-01

Context. Methanol is formed via surface reactions on icy dust grains. Methanol is also detected in the gas-phase at temperatures below its thermal desorption temperature and at levels higher than can be explained by pure gas-phase chemistry. The process that controls the transition from solid state to gas-phase methanol in cold environments is not understood. Aims: The goal of this work is to investigate whether thermal CO desorption provides an indirect pathway for methanol to co-desorb at low temperatures. Methods: Mixed CH3OH:CO/CH4 ices were heated under ultra-high vacuum conditions and ice contents are traced using RAIRS (reflection absorption IR spectroscopy), while desorbing species were detected mass spectrometrically. An updated gas-grain chemical network was used to test the impact of the results of these experiments. The physical model used is applicable for TW Hya, a protoplanetary disk in which cold gas-phase methanol has recently been detected. Results: Methanol release together with thermal CO desorption is found to be an ineffective process in the experiments, resulting in an upper limit of ≤ 7.3 × 10-7 CH3OH molecules per CO molecule over all ice mixtures considered. Chemical modelling based on the upper limits shows that co-desorption rates as low as 10-6 CH3OH molecules per CO molecule are high enough to release substantial amounts of methanol to the gas-phase at and around the location of the CO thermal desorption front in a protoplanetary disk. The impact of thermal co-desorption of CH3OH with CO as a grain-gas bridge mechanism is compared with that of UV induced photodesorption and chemisorption.

Ultrafast electronic relaxation of excited state vitamin B12 in the gas phase

International Nuclear Information System (INIS)

Shafizadeh, Niloufar; Poisson, Lionel; Soep, Benoit

2008-01-01

The time evolution of electronically excited vitamin B 12 (cyanocobalamin) has been observed for the first time in the gas phase. It reveals an ultrafast decay to a state corresponding to metal excitation. This decay is interpreted as resulting from a ring to metal electron transfer. This opens the observation of the excited state of other complex biomimetic systems in the gas phase, the key to the characterisation of their complex evolution through excited electronic states

Structural Stability and Performance of Noble Metal-Free SnO2-Based Gas Sensors

Directory of Open Access Journals (Sweden)

Antonio Tricoli

2012-05-01

Full Text Available The structural stability of pure SnO2 nanoparticles and highly sensitive SnO2-SiO2 nanocomposites (0–15 SiO2 wt% has been investigated for conditions relevant to their utilization as chemoresistive gas sensors. Thermal stabilization by SiO2 co-synthesis has been investigated at up to 600 °C determining regimes of crystal size stability as a function of SiO2-content. For operation up to 400 °C, thermally stable crystal sizes of ca. 24 and 11 nm were identified for SnO2 nanoparticles and 1.4 wt% SnO2-SiO2 nanocomposites, respectively. The effect of crystal growth during operation (TO = 320 °C on the sensor response to ethanol has been reported, revealing possible long-term destabilization mechanisms. In particular, crystal growth and sintering-neck formation were discussed with respect to their potential to change the sensor response and calibration. Furthermore, the effect of SiO2 cosynthesis on the cross-sensitivity to humidity of these noble metal-free SnO2-based gas sensors was assessed.

Phase stability of AlYB14 sputtered thin films

International Nuclear Information System (INIS)

Koelpin, Helmut; Music, Denis; Emmerlich, Jens; Schneider, Jochen M; Henkelman, Graeme; Munnik, Frans

2009-01-01

AlYB 14 (Imma) thin films were synthesized by magnetron sputtering. On the basis of x-ray diffraction, no phases other than crystalline AlYB 14 could be identified. According to electron probe microanalysis, energy dispersive x-ray analysis and elastic recoil detection analysis, the Al and Y occupancies vary in the range of 0.73-1.0 and 0.29-0.45, respectively. Density functional theory based calculations were carried out to investigate the effect of occupancy on the stability of Al x Y y B 14 (x,y = 0.25, 0.5, 0.75, 1). The mean effective charge per icosahedron and the bulk moduli were also calculated. It is shown that the most stable configuration is Al 0.5 YB 14 , corresponding to a charge transfer of two electrons from the metal atoms to the boron icosahedra. Furthermore, it is found that the stability of a configuration is increased as the charge is homogeneously distributed within the icosahedra. The bulk moduli for all configurations investigated are in the range between 196 and 220 GPa, rather close to those for known hard phases such as α- Al 2 O 3 .

Parents of two-phase flow and theory of "gas-lift"

Science.gov (United States)

Zitek, Pavel; Valenta, Vaclav

2014-03-01

This paper gives a brief overview of types of two-phase flow. Subsequently, it deals with their mutual division and problems with accuracy boundaries among particular types. It also shows the case of water flow through a pipe with external heating and the gradual origination of all kinds of flow. We have met it in solution of safety condition of various stages in pressurized and boiling water reactors. In the MSR there is a problem in the solution of gas-lift using helium as a gas and its secondary usage for clearing of the fuel mixture from gaseous fission products. Theory of gas-lift is described.

Conformational Study of DNA Sugars: from the Gas Phase to Solution

Science.gov (United States)

Uriarte, Iciar; Vallejo-López, Montserrat; Cocinero, Emilio J.; Corzana, Francisco; Davis, Benjamin G.

2017-06-01

Sugars are versatile molecules that play a variety of roles in the organism. For example, they are important in energy storage processes or as structural scaffolds. Here, we focus on the monosaccharide present in DNA by addressing the conformational and puckering properties in the gas phase of α- and β-methyl-2-deoxy-ribofuranoside and α- and β-methyl-2-deoxy-ribopiranoside. Other sugars have been previously studied in the gas phase The work presented here stems from a combination of chemical synthesis, ultrafast vaporization methods, supersonic expansions, microwave spectroscopy (both chirped-pulsed and Balle-Flygare cavity-based spectrometers) and NMR spectroscopy. Previous studies in the gas phase had been performed on 2-deoxyribose, but only piranose forms were detected. However, thanks to the combination of these techniques, we have isolated and characterized for the first time the conformational landscape of the sugar present in DNA in its biologically relevant furanose form. Our gas phase study serves as a probe of the conformational preferences of these biomolecules under isolation conditions. Thanks to the NMR experiments, we can characterize the favored conformations in solution and extract the role of the solvent in the structure and puckering of the monosaccharides. E. J. Cocinero, A. Lesarri, P. Écija, F. J. Basterretxea, J.-U. Grabow, J. A. Fernández, F. Castaño, Angew. Chem. Int. Edit. 2012, 51, 3119. P. Écija, I. Uriarte, L. Spada, B. G. Davis, W. Caminati, F. J. Basterretxea, A. Lesarri, E. J. Cocinero, Chem. Commun. 2016, 52, 6241. I. Peña, E. J. Cocinero, C. Cabezas, A. Lesarri, S. Mata, P. Écija, A. M. Daly, Á. Cimas, C. Bermúdez, F. J. Basterretxea, S. Blanco, J. A. Fernández, J. C. López, F. Castaño, J. L. Alonso, Angew. Chem. Int. Edit. 2013, 52, 11840.

Correlation between active layer thickness and ambient gas stability in IGZO thin-film transistors

International Nuclear Information System (INIS)

Gao, Xu; Mao, Bao-Hua; Wang, Sui-Dong; Lin, Meng-Fang; Shimizu, Maki; Mitoma, Nobuhiko; Kizu, Takio; Ou-Yang, Wei; Tsukagoshi, Kazuhito; Nabatame, Toshihide; Liu, Zhi

2017-01-01

Decreasing the active layer thickness has been recently reported as an alternative way to achieve fully depleted oxide thin-film transistors for the realization of low-voltage operations. However, the correlation between the active layer thickness and device resistivity to environmental changes is still unclear, which is important for the optimized design of oxide thin-film transistors. In this work, the ambient gas stability of IGZO thin-film transistors is found to be strongly correlated to the IGZO thickness. The TFT with the thinnest IGZO layer shows the highest intrinsic electron mobility in a vacuum, which is greatly reduced after exposure to O 2 /air. The device with a thick IGZO layer shows similar electron mobility in O 2 /air, whereas the mobility variation measured in the vacuum is absent. The thickness dependent ambient gas stability is attributed to a high-mobility region in the IGZO surface vicinity with less sputtering-induced damage, which will become electron depleted in O 2 /air due to the electron transfer to adsorbed gas molecules. The O 2 adsorption and deduced IGZO surface band bending is demonstrated by the ambient-pressure x-ray photoemission spectroscopy results. (paper)

Experimental on two sensors combination used in horizontal pipe gas-water two-phase flow

International Nuclear Information System (INIS)

Wu, Hao; Dong, Feng

2014-01-01

Gas-water two phase flow phenomenon widely exists in production and living and the measurement of it is meaningful. A new type of long-waist cone flow sensor has been designed to measure two-phase mass flow rate. Six rings structure of conductance probe is used to measure volume fraction and axial velocity. The calibration of them have been made. Two sensors have been combined in horizontal pipeline experiment to measure two-phase flow mass flow rate. Several model of gas-water two-phase flow has been discussed. The calculation errors of total mass flow rate measurement is less than 5% based on the revised homogeneous flow model

Modelling of gas-liquid reactors - stability and dynamic behaviour of gas-liquid mass transfer accompanied by irreversible reaction

NARCIS (Netherlands)

Elk, van E.P.; Borman, P.C.; Kuipers, J.A.M.; Versteeg, G.F.

1999-01-01

The dynamic behaviour and stability of single-phase reacting systems has been investigated thoroughly in the past and design rules for stable operation are available from literature. The dynamic behaviour of gas–liquid processes is considerably more complex and has received relatively little

Grain size stabilization of tetragonal phase of zirconia in sputtered Zr-O cermet films

International Nuclear Information System (INIS)

Hadavi, M. S.; Keshmiri, H.; Kompany, A.; Zhang, Q. C.

2005-01-01

In this research, thin films of Zr/ZrO 2 composites were deposited by reactive magnetron sputtering technique on Si and fused Silica substrates, and their structures were investigated by x-ray diffraction method. During the deposition of the cermet layers, a Zr metallic target was sputtered in a gas mixture of Ar and O 2 . By controlling of O 2 flow rate, the different metal volume fractions in the cermet layers were achieved. The optical response of the samples was studied using spectroscopy methods. Also the effect of vacuum annealing on the structures and the optical properties were studies. x-ray diffraction results indicated that the prepared samples were amorphous and vacuum annealing induced crystallization in the cermet films. This research also show that without doping, the tetragonal phase of Zirconia can be stabilized at a temperature lower than the normal transition temperature. This is g rain size stabilization a nd relates to the small size of the crystallizes. In order to study the electron diffraction in the selected area patterns, the samples were analysed by a high-resolution transmission microscope. The selected area patterns results showed that all of the as prepared samples were amorphous showing evidence of very small Zr crystallites immersed in a dielectric medium. The Sad results are in close agreement with those obtained by x-ray diffraction analysis

Gas-phase infrared spectrum of the anionic GFP-chromophore

NARCIS (Netherlands)

Almasian, M.; Grzetic, J.; G. Berden,; Bakker, B.; Buma, W. J.; Oomens, J.

2012-01-01

The gas-phase IR spectrum of the anionic chromophore of the green fluorescent protein (p-hydroxy-benzylidene-2,3-dimethylimidazolidinone, HBDI) is recorded in the 800–1800 cm−1 frequency range using the free electron laser FELIX in combination with an electrospray ionization (ESI) Fourier

Modelling gas migration in compacted bentonite: gambit club phase 3. Final report

International Nuclear Information System (INIS)

Hoch, A.R.; Cliffe, K.A.; Swift, B.T.; Rodwell, W.R.

2004-04-01

This report describes the third phase of a programme of work to develop a computational model of gas migration through highly compacted water-saturated bentonite. One difficulty with this endeavour is the definitive determination of the mechanism of the gas migration from the available experimental data. The report contains a brief review of the experimental data and their interpretation. The model development work reported involves the investigation of two ways of enhancing a model proposed in the previous phase of the programme. This model was based on the concept that gas migration pathways were created by consolidating the clay fabric by application of gas pressure to create porosity through which the gas could flow. The two developments of this model that are separately explored in this work are: (a) The incorporation of a proper treatment of the stress-strain behaviour of the clay in (b) response to gas migration. The previous model had only considered stress effects through simple volume changes to the clay fabric. The inclusion of a dual-porosity feature into the model in an attempt to address the role that the clay fabric might play in gas migration through the clay, in particular the role that pre-existing interstack voids might have in gas migration. The consideration of hysteresis effects was also included in this study. As in previous GAMBIT Club work, the models are tested against the results of laboratory experiments. (orig.)

Flue gas injection into gas hydrate reservoirs for methane recovery and carbon dioxide sequestration

International Nuclear Information System (INIS)

Yang, Jinhai; Okwananke, Anthony; Tohidi, Bahman; Chuvilin, Evgeny; Maerle, Kirill; Istomin, Vladimir; Bukhanov, Boris; Cheremisin, Alexey

2017-01-01

Highlights: • Flue gas was injected for both methane recovery and carbon dioxide sequestration. • Kinetics of methane recovery and carbon dioxide sequestration was investigated. • Methane-rich gas mixtures can be produced inside methane hydrate stability zones. • Up to 70 mol% of carbon dioxide in the flue gas was sequestered as hydrates. - Abstract: Flue gas injection into methane hydrate-bearing sediments was experimentally investigated to explore the potential both for methane recovery from gas hydrate reservoirs and for direct capture and sequestration of carbon dioxide from flue gas as carbon dioxide hydrate. A simulated flue gas from coal-fired power plants composed of 14.6 mol% carbon dioxide and 85.4 mol% nitrogen was injected into a silica sand pack containing different saturations of methane hydrate. The experiments were conducted at typical gas hydrate reservoir conditions from 273.3 to 284.2 K and from 4.2 to 13.8 MPa. Results of the experiments show that injection of the flue gas leads to significant dissociation of the methane hydrate by shifting the methane hydrate stability zone, resulting in around 50 mol% methane in the vapour phase at the experimental conditions. Further depressurisation of the system to pressures well above the methane hydrate dissociation pressure generated methane-rich gas mixtures with up to 80 mol% methane. Meanwhile, carbon dioxide hydrate and carbon dioxide-mixed hydrates were formed while the methane hydrate was dissociating. Up to 70% of the carbon dioxide in the flue gas was converted into hydrates and retained in the silica sand pack.

Microfluidic and nanofluidic phase behaviour characterization for industrial CO2, oil and gas.

Science.gov (United States)

Bao, Bo; Riordon, Jason; Mostowfi, Farshid; Sinton, David

2017-08-08

Microfluidic systems that leverage unique micro-scale phenomena have been developed to provide rapid, accurate and robust analysis, predominantly for biomedical applications. These attributes, in addition to the ability to access high temperatures and pressures, have motivated recent expanded applications in phase measurements relevant to industrial CO 2 , oil and gas applications. We here present a comprehensive review of this exciting new field, separating microfluidic and nanofluidic approaches. Microfluidics is practical, and provides similar phase properties analysis to established bulk methods with advantages in speed, control and sample size. Nanofluidic phase behaviour can deviate from bulk measurements, which is of particular relevance to emerging unconventional oil and gas production from nanoporous shale. In short, microfluidics offers a practical, compelling replacement of current bulk phase measurement systems, whereas nanofluidics is not practical, but uniquely provides insight into phase change phenomena at nanoscales. Challenges, trends and opportunities for phase measurements at both scales are highlighted.

Liquid-gas phase transition in asymmetric nuclear matter at finite temperature

Science.gov (United States)

Maruyama, Toshiki; Tatsumi, Toshitaka; Chiba, Satoshi

2010-03-01

Liquid-gas phase transition is discussed in warm asymmetric nuclear matter. Some peculiar features are figured out from the viewpoint of the basic thermodynamics about the phase equilibrium. We treat the mixed phase of the binary system based on the Gibbs conditions. When the Coulomb interaction is included, the mixed phase is no more uniform and the sequence of the pasta structures appears. Comparing the results with those given by the simple bulk calculation without the Coulomb interaction, we extract specific features of the pasta structures at finite temperature.

Liquid-gas phase transition in asymmetric nuclear matter at finite temperature

International Nuclear Information System (INIS)

Maruyama, Toshiki; Tatsumi, Toshitaka; Chiba, Satoshi

2010-01-01

Liquid-gas phase transition is discussed in warm asymmetric nuclear matter. Some peculiar features are figured out from the viewpoint of the basic thermodynamics about the phase equilibrium. We treat the mixed phase of the binary system based on the Gibbs conditions. When the Coulomb interaction is included, the mixed phase is no more uniform and the sequence of the pasta structures appears. Comparing the results with those given by the simple bulk calculation without the Coulomb interaction, we extract specific features of the pasta structures at finite temperature.

The phase transition of the first order in the critical region of the gas-liquid system

Directory of Open Access Journals (Sweden)

I.R. Yukhnovskii

2014-12-01

Full Text Available This is a summarising investigation of the events of the phase transition of the first order that occur in the critical region below the liquid-gas critical point. The grand partition function has been completely integrated in the phase-space of the collective variables. The basic density measure is the quartic one. It has the form of the exponent function with the first, second, third and fourth degree of the collective variables. The problem has been reduced to the Ising model in an external field, the role of which is played by the generalised chemical potential μ*. The line μ*(η =0, where η is the density, is the line of the phase transition. We consider the isothermal compression of the gas till the point where the phase transition on the line μ*(η =0 is reached. When the path of the pressing reaches the line μ* =0 in the gas medium, a droplet of liquid springs up. The work for its formation is obtained, the surface-tension energy is calculated. On the line μ* =0 we have a two-phase system: the gas and the liquid (the droplet one. The equality of the gas and of the liquid chemical potentials is proved. The process of pressing is going on. But the pressure inside the system has stopped, two fixed densities have arisen: one for the gas-phase ηG=ηc(1-d/2 and the other for the liquid-phase ηL=ηc(1+d/2 (symmetrically to the rectlinear diameter, where ηc=0.13044 is the critical density. Starting from that moment the external pressure works as a latent work of pressure. Its value is obtained. As a result, the gas-phase disappears and the whole system turns into liquid. The jump of the density is equal to ηc d, where d=(D/2G1/2 ~ τν/2. D and G are coefficients of the Hamiltonian in the last cell connected with the renormalisation-group symmetry. The equation of state is written.

Measurement of gas-liquid two-phase flow in micro-pipes by a capacitance sensor.

Science.gov (United States)

Ji, Haifeng; Li, Huajun; Huang, Zhiyao; Wang, Baoliang; Li, Haiqing

2014-11-26

A capacitance measurement system is developed for the measurement of gas-liquid two-phase flow in glass micro-pipes with inner diameters of 3.96, 2.65 and 1.56 mm, respectively. As a typical flow regime in a micro-pipe two-phase flow system, slug flow is chosen for this investigation. A capacitance sensor is designed and a high-resolution and high-speed capacitance measurement circuit is used to measure the small capacitance signals based on the differential sampling method. The performance and feasibility of the capacitance method are investigated and discussed. The capacitance signal is analyzed, which can reflect the voidage variation of two-phase flow. The gas slug velocity is determined through a cross-correlation technique using two identical capacitance sensors. The simulation and experimental results show that the presented capacitance measurement system is successful. Research work also verifies that the capacitance sensor is an effective method for the measurement of gas liquid two-phase flow parameters in micro-pipes.

Phases of a polar spin-1 Bose gas in a magnetic field

International Nuclear Information System (INIS)

Kis-Szabo, Krisztian; Szepfalusy, Peter; Szirmai, Gergely

2007-01-01

The two Bose-Einstein condensed phases of a polar spin-1 gas at nonzero magnetizations and temperatures are investigated. The Hugenholtz-Pines theorem is generalized to this system. Crossover to a quantum phase transition is also studied. Results are discussed in a mean field approximation

Experimental and computational study on the phase stability of Al-containing cubic transition metal nitrides

International Nuclear Information System (INIS)

Rovere, Florian; Mayrhofer, Paul H; Music, Denis; Ershov, Sergey; Baben, Moritz to; Schneider, Jochen M; Fuss, Hans-Gerd

2010-01-01

The phase stability of Al-containing cubic transition metal (TM) nitrides, where Al substitutes for TM (i.e. TM 1-x Al x N), is studied as a function of the TM valence electron concentration (VEC). X-ray diffraction and thermal analyses data of magnetron sputtered Ti 1-x Al x N, V 1-x Al x N and Cr 1-x Al x N films indicate increasing phase stability of cubic TM 1-x Al x N at larger Al contents and higher temperatures with increasing TM VEC. These experimental findings can be understood based on first principle investigations of ternary cubic TM 1-x Al x N with TM = Sc, Ti, V, Cr, Y, Zr and Nb where the TM VEC and the lattice strain are systematically varied. However, our experimental data indicate that, in addition to the decomposition energetics (cubic TM 1-x Al x N → cubic TMN + hexagonal AlN), future stability models have to include nitrogen release as one of the mechanisms that critically determine the overall phase stability of TM 1-x Al x N.

Gas-phase nitrosation of ethylene and related events in the C2H4NO+ landscape.

Science.gov (United States)

Gerbaux, Pascal; Dechamps, Noemie; Flammang, Robert; Nam, Pham Cam; Nguyen, Minh Tho; Djazi, Fayçal; Berruyer, Florence; Bouchoux, Guy

2008-06-19

The C2H4NO(+) system has been examined by means of quantum chemical calculations using the G2 and G3B3 approaches and tandem mass spectrometry experiments. Theoretical investigation of the C2H4NO(+) potential-energy surface includes 19 stable C2H4NO(+) structures and a large set of their possible interconnections. These computations provide insights for the understanding of the (i) addition of the nitrosonium cation NO(+) to the ethylene molecule, (ii) skeletal rearrangements evidenced in previous experimental studies on comparable systems, and (iii) experimental identification of new C2H4NO(+) structures. It is predicted from computation that gas-phase nitrosation of ethylene may produce C2H4(*)NO(+) adducts, the most stable structure of which is a pi-complex, 1, stabilized by ca. 65 kJ/mol with respect to its separated components. This complex was produced in the gas phase by a transnitrosation process involving as reactant a complex between water and NO(+) (H2O.NO(+)) and the ethylene molecule and fully characterized by collisional experiments. Among the other C 2H 4NO (+) structures predicted by theory to be protected against dissociation or isomerization by significant energy barriers, five were also experimentally identified. These finding include structures CH3CHNO(+) (5), CH 3CNOH (+) ( 8), CH3NHCO(+) (18), CH3NCOH(+) (19), and an ion/neutral complex CH2O...HCNH(+) (12).

Possibility of determining the concentration of the gas phase in a two-phase stream by an acoustical method

Energy Technology Data Exchange (ETDEWEB)

Butenko, A N; Potapenko, A E; Chistyakov, E S

1976-01-01

The method is based on the recording of the amplitude-frequency characteristics of a circular piezoelectric resonator (sensor) during movement of a stream of a two-phase medium. It is shown that the electrical voltage drop across the transducer and the natural oscillating frequency of the transducer depend on the concentration of the gas phase in the two-phase mixture, allowing an instrument to be developed for measurement of this concentration.

Highly Efficient Gas-Phase Oxidation of Renewable Furfural to Maleic Anhydride over Plate Vanadium Phosphorus Oxide Catalyst.

Science.gov (United States)

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.

Global stability of phase lock near a chaotic crisis in the rf-biased Josephson junction

International Nuclear Information System (INIS)

Kautz, R.L.

1987-01-01

The global stability of phase lock in the rf-biased Josephson junction is studied through digital simulations. Global stability is determined by calculating the lifetime of the phase-locked state in the presence of thermal noise. This lifetime, the mean time required for thermal noise to induce a 2π phase slip, increases exponentially with inverse temperature in the limit of low temperatures, and the low-temperature asymptote can be parametrized in terms of an activation energy E-script and an attempt time tau 0 . The activation energy is a useful measure of global stability for both periodic and chaotic phase-locked states. The behavior of E-script and tau 0 is studied over a range of critical-current densities which take the system from a region of harmonic motion through a period-doubling cascade and into a region of phase-locked chaotic behavior which is ended by a chaotic crisis. At the crisis point, the activation energy goes to zero and the attempt time goes to infinity. The results are used to determine the optimum critical-current density for series-array voltage standards

Laser spectroscopy of a halocarbocation in the gas phase: CH2I+.

Science.gov (United States)

Tao, Chong; Mukarakate, Calvin; Reid, Scott A

2006-07-26

We report the first gas-phase observation of the electronic spectrum of a simple halocarbocation, CH2I+. The ion was generated rotationally cold (Trot approximately 20 K) using pulsed discharge methods and was detected via laser spectroscopy. The identity of the spectral carrier was confirmed by modeling the rotational contour observed in the excitation spectra and by comparison of ground state vibrational frequencies determined by single vibronic level emission spectroscopy with Density Functional Theory (DFT) predictions. The transition was assigned as 3A1 gas phase should open new avenues for study of the structure and reactivity of these important ions.

A modeling and experimental study of flue gas desulfurization in a dense phase tower

International Nuclear Information System (INIS)

Chang, Guanqin; Song, Cunyi; Wang, Li

2011-01-01

We used a dense phase tower as the reactor in a novel semi-dry flue gas desulfurization process to achieve a high desulfurization efficiency of over 95% when the Ca/S molar ratio reaches 1.3. Pilot-scale experiments were conducted for choosing the parameters of the full-scale reactor. Results show that with an increase in the flue gas flow rate the rate of the pressure drop in the dense phase tower also increases, however, the rate of the temperature drop decreases in the non-load hot gas. We chose a water flow rate of 0.6 kg/min to minimize the approach to adiabatic saturation temperature difference and maximize the desulfurization efficiency. To study the flue gas characteristics under different processing parameters, we simulated the desulfurization process in the reactor. The simulated data matched very well with the experimental data. We also found that with an increase in the Ca/S molar ratio, the differences between the simulation and experimental data tend to decrease; conversely, an increase in the flue gas flow rate increases the difference; this may be associated with the surface reactions caused by collision, coalescence and fragmentation between the dispersed phases.

Industrial aspects of gas-liquid two-phase flow

International Nuclear Information System (INIS)

Hewitt, G.F.

1977-01-01

The lecture begins by reviewing the various types of plant in which two phase flow occurs. Specifically, boiling plant, condensing plant and pipelines are reviewed, and the various two phase flow problems occurring in them are described. Of course, many other kinds of chemical engineering plant involve two phase flow, but are somewhat outside the scope of this lecture. This would include distillation columns, vapor-liquid separators, absorption towers etc. Other areas of industrial two phase flow which have been omitted for space reasons from this lecture are those concerned with gas/solids, liquid/solid and liquid/liquid flows. There then follows a description of some of the two phase flow processes which are relevant in industrial equipment and where special problems occur. The topics chosen are as follows: (1) pressure drop; (2) horizontal tubes - separation effects non-uniformites in heat transfer coefficient, effect of bends on dryout; (3) multicomponent mixtures - effects in pool boiling, mass transfer effects in condensation and Marangoni effects; (4) flow distribution - manifold problems in single phase flow, separation effects at a single T-junction in two phase flow and distribution in manifolds in two phase flow; (5) instability - oscillatory instability, special forms of instability in cryogenic systems; (6) nucleate boiling - effect of variability of surface, unresolved problems in forced convective nucleate boiling; and (7) shell side flows - flow patterns, cross flow boiling, condensation in cross flow

Entropy feature extraction on flow pattern of gas/liquid two-phase flow based on cross-section measurement

International Nuclear Information System (INIS)

Han, J; Dong, F; Xu, Y Y

2009-01-01

This paper introduces the fundamental of cross-section measurement system based on Electrical Resistance Tomography (ERT). The measured data of four flow regimes of the gas/liquid two-phase flow in horizontal pipe flow are obtained by an ERT system. For the measured data, five entropies are extracted to analyze the experimental data according to the different flow regimes, and the analysis method is examined and compared in three different perspectives. The results indicate that three different perspectives of entropy-based feature extraction are sensitive to the flow pattern transition in gas/liquid two-phase flow. By analyzing the results of three different perspectives with the changes of gas/liquid two-phase flow parameters, the dynamic structures of gas/liquid two-phase flow is obtained, and they also provide an efficient supplementary to reveal the flow pattern transition mechanism of gas/liquid two-phase flow. Comparison of the three different methods of feature extraction shows that the appropriate entropy should be used for the identification and prediction of flow regimes.

Development of a Hydrogasification Process for Co-Production of Substitute Natural Gas (SNG) and Electric Power from Western Coals-Phase I

Energy Technology Data Exchange (ETDEWEB)

Raymond Hobbs

2007-05-31

The Advanced Hydrogasification Process (AHP)--conversion of coal to methane--is being developed through NETL with a DOE Grant and has successfully completed its first phase of development. The results so far are encouraging and have led to commitment by DOE/NETL to begin a second phase--bench scale reactor vessel testing, expanded engineering analysis and economic perspective review. During the next decade new means of generating electricity, and other forms of energy, will be introduced. The members of the AHP Team envision a need for expanded sources of natural gas or substitutes for natural gas, to fuel power generating plants. The initial work the team has completed on a process to use hydrogen to convert coal to methane (pipeline ready gas) shows promising potential. The Team has intentionally slanted its efforts toward the needs of US electric utilities, particularly on fuels that can be used near urban centers where the greatest need for new electric generation is found. The process, as it has evolved, would produce methane from coal by adding hydrogen. The process appears to be efficient using western coals for conversion to a highly sought after fuel with significantly reduced CO{sub 2} emissions. Utilities have a natural interest in the preservation of their industry, which will require a dramatic reduction in stack emissions and an increase in sustainable technologies. Utilities tend to rank long-term stable supplies of fuel higher than most industries and are willing to trade some ratio of cost for stability. The need for sustainability, stability and environmentally compatible production are key drivers in the formation and progression of the AHP development. In Phase II, the team will add a focus on water conservation to determine how the basic gasification process can be best integrated with all the plant components to minimize water consumption during SNG production. The process allows for several CO{sub 2} reduction options including consumption of

Application of Homochiral Alkylated Organic Cages as Chiral Stationary Phases for Molecular Separations by Capillary Gas Chromatography.

Science.gov (United States)

Xie, Shengming; Zhang, Junhui; Fu, Nan; Wang, Bangjin; Hu, Cong; Yuan, Liming

2016-11-08

Molecular organic cage compounds have attracted considerable attention due to their potential applications in gas storage, catalysis, chemical sensing, molecular separations, etc. In this study, a homochiral pentyl cage compound was synthesized from a condensation reaction of ( S , S )-1,2-pentyl-1,2-diaminoethane and 1,3,5-triformylbenzene. The imine-linked pentyl cage diluted with a polysiloxane (OV-1701) was explored as a novel stationary phase for high-resolution gas chromatographic separation of organic compounds. Some positional isomers were baseline separated on the pentyl cage-coated capillary column. In particular, various types of enantiomers including chiral alcohols, esters, ethers and epoxides can be resolved without derivatization on the pentyl cage-coated capillary column. The reproducibility of the pentyl cage-coated capillary column for separation was investigated using nitrochlorobenzene and styrene oxide as analytes. The results indicate that the column has good stability and separation reproducibility after being repeatedly used. This work demonstrates that molecular organic cage compounds could become a novel class of chiral separation media in the near future.

Application of Homochiral Alkylated Organic Cages as Chiral Stationary Phases for Molecular Separations by Capillary Gas Chromatography

Directory of Open Access Journals (Sweden)

Shengming Xie

2016-11-01

Full Text Available Molecular organic cage compounds have attracted considerable attention due to their potential applications in gas storage, catalysis, chemical sensing, molecular separations, etc. In this study, a homochiral pentyl cage compound was synthesized from a condensation reaction of (S,S-1,2-pentyl-1,2-diaminoethane and 1,3,5-triformylbenzene. The imine-linked pentyl cage diluted with a polysiloxane (OV-1701 was explored as a novel stationary phase for high-resolution gas chromatographic separation of organic compounds. Some positional isomers were baseline separated on the pentyl cage-coated capillary column. In particular, various types of enantiomers including chiral alcohols, esters, ethers and epoxides can be resolved without derivatization on the pentyl cage-coated capillary column. The reproducibility of the pentyl cage-coated capillary column for separation was investigated using nitrochlorobenzene and styrene oxide as analytes. The results indicate that the column has good stability and separation reproducibility after being repeatedly used. This work demonstrates that molecular organic cage compounds could become a novel class of chiral separation media in the near future.

The constitutive distributed parameter model of multicomponent chemical processes in gas, fluid and solid phase

International Nuclear Information System (INIS)

Niemiec, W.

1985-01-01

In the literature of distributed parameter modelling of real processes is not considered the class of multicomponent chemical processes in gas, fluid and solid phase. The aim of paper is constitutive distributed parameter physicochemical model, constructed on kinetics and phenomenal analysis of multicomponent chemical processes in gas, fluid and solid phase. The mass, energy and momentum aspects of these multicomponent chemical reactions and adequate phenomena are utilized in balance operations, by conditions of: constitutive invariance for continuous media with space and time memories, reciprocity principle for isotropic and anisotropic nonhomogeneous media with space and time memories, application of definitions of following derivative and equation of continuity, to the construction of systems of partial differential constitutive state equations, in the following derivative forms for gas, fluid and solid phase. Couched in this way all physicochemical conditions of multicomponent chemical processes in gas, fluid and solid phase are new form of constitutive distributed parameter model for automatics and its systems of equations are new form of systems of partial differential constitutive state equations in sense of phenomenal distributed parameter control

Metal-Organic Framework Thin Films as Stationary Phases in Microfabricated Gas-Chromatography Columns.

Energy Technology Data Exchange (ETDEWEB)

Read, Douglas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sillerud, Colin Halliday [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2016-01-01

The overarching goal of this project is to integrate Sandia's microfabricated gas-chromatography ( GC) columns with a stationary phase material that is capable of retaining high-volatility chemicals and permanent gases. The successful integration of such a material with GCs would dramatically expand the repertoire of detectable compounds for Sandia's various microanalysis systems. One such promising class of candidate materials is metal-organic frameworks (MOFs). In this report we detail our methods for controlled deposition of HKUST-1 MOF stationary phases within GC columns. We demonstrate: the chromatographic separation of natural gas; a method for determining MOF film thickness from chromatography alone; and the first-reported GC x GC separation of natural gas -- in general -- let alone for two disparate MOF stationary phases. In addition we determine the fundamental thermodynamic constant for mass sorption, the partition coefficient, for HKUST-1 and several light hydrocarbons and select toxic industrial chemicals.

The Influence of Mixing in High Temperature Gas Phase Reactions

DEFF Research Database (Denmark)

Østberg, Martin

1996-01-01

by injection of NH3 with carrier gas into the flue gas. NH3 can react with NO and form N2, but a competing reaction path is the oxidation of NH3 to NO.The SNR process is briefly described and it is shown by chemical kinetic modelling that OH radicals under the present conditions will initiate the reaction......The objective of this thesis is to describe the mixing in high temperature gas phase reactions.The Selective Non-Catalytic Reduction of NOx (referred as the SNR process) using NH3 as reductant was chosen as reaction system. This in-furnace denitrification process is made at around 1200 - 1300 K...... diffusion. The SNR process is simulated using the mixing model and an empirical kinetic model based on laboratory experiments.A bench scale reactor set-up has been built using a natural gas burner to provide the main reaction gas. The set-up has been used to perform an experimental investigation...

Laser diagnostics of a diamond depositing chemical vapour deposition gas-phase environment

International Nuclear Information System (INIS)

Smith, James Anthony

2002-01-01

Studies have been carried out to understand the gas-phase chemistry underpinning diamond deposition in hot filament and DC-arcjet chemical vapour deposition (CVD) systems. Resonance enhanced Multiphoton lonisation (REMPI) techniques were used to measure the relative H atom and CH 3 radical number densities and local gas temperatures prevalent in a hot filament reactor, operating on Ch 4 /H 2 and C 2 H 2 /H 2 gas mixtures. These results were compared to a 3D-computer simulation, and hence provided an insight into the nature of the gas-phase chemistry with particular reference to C 2 →C 1 species conversion. Similar experimental and theoretical studies were also carried out to explain the chemistry involved in NH 3 /CH 4 /H 2 and N 2 /CH 4 /H 2 gas mixtures. It was demonstrated that the reactive nature of the filament surface was dependent on the addition of NH 3 , influencing atomic hydrogen production, and thus the H/C/N gas-phase chemistry. Studies of the DC-arcjet diamond CVD reactor consisted of optical emission spectroscopic studies of the plume during deposition from an Ar/H 2 /CH 4 /N 2 gas mixture. Spatially resolved species emission intensity maps were obtained for C 2 (d→a), CN(B→X) and H β from Abel-inverted datasets. The C 2 (d→a) and CN(B→X) emission intensity maps both show local maxima near the substrate surface. SEM and Laser Raman analyses indicate that N 2 additions lead to a reduction in film quality and growth rate. Photoluminescence and SIMS analyses of the grown films provide conclusive evidence of nitrogen incorporation (as chemically bonded CN). Absolute column densities of C 2 (a) in a DC-arcjet reactor operating on an Ar/H 2 /CH 4 gas mixture, were measured using Cavity ring down spectroscopy. Simulations of the measured C 2 (v=0) transition revealed a rotational temperature of ∼3300 K. This gas temperature is similar to that deduced from optical emission spectroscopy studies of the C 2 (d→a) transition. (author)

A Computationally Efficient Equation of State for Ternary Gas Hydrate Systems

Science.gov (United States)

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

Phase transition stability within ceramics

International Nuclear Information System (INIS)

Wang, E.; Wang, D.

1992-01-01

Irreversible thermodynamics is applied to analyse nucleation, both in metals and ceramics, in order to distinguish the stability of metastable under cooled melts. The hypothesis of local equilibrium has been used to apply research results from equilibrium thermodynamics, for the study of irreversible processes. The under cooling equation for homogenous nucleation only depends on a coefficient which is not related to the melting point of the material. The calculated critical under cooling values for metals are compared with experimental data. The metastable phase formation of plasma-sprayed alumina and zircon coatings has been discussed based on irreversible thermodynamics. A critical under cooling parameter (β) is defined. The metastable phase formation of plasma-sprayed alumina and zircon has been discussed. The analysis shows that γ-Al 2 O 3 is first formed in the coating since it has a lower β value than α-Al 2 O 3 . Zircon dissociates into ZrO 2 and SiO 2 , and rapid quenching of plasma spraying prevents their re association. The cooling rate determines whether t-ZrO 2 or c-ZrO 2 will form in the sprayed coating. It can be confirmed by the experiments that the content of t-ZrO 2 will increase correspondingly as the sprayed particle size decreases. At high transition temperatures, c-ZrO 2 will be formed because of the anisotropic thermal expansion behaviour in the crystal structure. 22 refs., 2 tabs

Quantum mechanics of the fractional-statistics gas: Random-phase approximation

International Nuclear Information System (INIS)

Dai, Q.; Levy, J.L.; Fetter, A.L.; Hanna, C.B.; Laughlin, R.B.

1992-01-01

A description of the fractional-statistics gas based on the complete summation of Hartree, Fock, ladder and bubble diagrams is presented. The superfluid properties identified previously in the random-phase-approximation (RPA) calculation of Fetter, Hanna, and Laughlin [Phys. Rev. B 39, 9679 (1989)] are substantially confirmed. The discrepancy between the RPA sound speed and the Hartree-Fock bulk modulus is found to be eliminated. The unusual Hall-effect behavior is found to vanish for the Bose gas test case but not for the fractional-statistics gas, implying that it is physically correct. Excellent agreement is obtained with the collective-mode dispersion obtained numerically by Xie, He, and Das Sarma [Phys. Rev. Lett. 65, 649 (1990)

Phase stability, mechanical properties, hardness, and possible reactive routing of chromium triboride from first-principle investigations

International Nuclear Information System (INIS)

Zhong, Ming-Min; Kuang, Xiao-Yu; Wang, Zhen-Hua; Shao, Peng; Ding, Li-Ping; Huang, Xiao-Fen

2013-01-01

The first-principles calculations are employed to provide a fundamental understanding of the structural features and relative stability, mechanical and electronic properties, and possible reactive route for chromium triboride. The predicted new phase of CrB 3 belongs to the rhombohedral phase with R-3m symmetry and it transforms into a hexagonal phase with P-6m2 symmetry at 64 GPa. The mechanical and thermodynamic stabilities of CrB 3 are verified by the calculated elastic constants and formation enthalpies. Also, the full phonon dispersion calculations confirm the dynamic stability of predicted CrB 3 . Considering the role of metallic contributions, the calculated hardness values from our semiempirical method for rhombohedral and hexagonal phases are 23.8 GPa and 22.1 GPa, respectively. In addition, the large shear moduli, Young's moduli, low Poisson's ratios, and small B/G ratios indicate that they are potential hard materials. Relative enthalpy calculations with respect to possible constituents are also investigated to assess the prospects for phase formation and an attempt at high-pressure synthesis is suggested to obtain chromium triboride

Passivity Based Stabilization of Non-minimum Phase Nonlinear Systems

Czech Academy of Sciences Publication Activity Database

Travieso-Torres, J.C.; Duarte-Mermoud, M.A.; Zagalak, Petr

2009-01-01

Roč. 45, č. 3 (2009), s. 417-426 ISSN 0023-5954 R&D Projects: GA ČR(CZ) GA102/07/1596 Institutional research plan: CEZ:AV0Z10750506 Keywords : nonlinear systems * stabilisation * passivity * state feedback Subject RIV: BC - Control Systems Theory Impact factor: 0.445, year: 2009 http://library.utia.cas.cz/separaty/2009/AS/zagalak-passivity based stabilization of non-minimum phase nonlinear systems.pdf

Preparation of sulfur/multiple pore size porous carbon composite via gas-phase loading method for lithium-sulfur batteries

International Nuclear Information System (INIS)

Li, Long-Yan; Chen, Yan-Xiao; Guo, Xiao-Dong; Zhong, Ben-He; Zhong, Yan-Jun

2014-01-01

A porous carbon with multiple pore size distribution was synthesized, and regarded as a carrier to obtain the sulfur/carbon (S/C) composite via a gas-phase loading method. We proposed this novel gas-phase loading method by using a specially designed fluid-bed reactor to encapsulate and sequester gas-phase sulfur molecules into the porous carbon in current study. The nitrogen Brunauer-Emmett-Teller (BET), scanning electron microscopy (SEM) and X-ray powder diffraction (XRD) characterizations were investigated on both the porous carbon and the sulfur/carbon composite. The results show that the gas-phase loading method contributes to the combination of sulfur molecules and matrix porous carbon. Furthermore, the sulfur/multiple pore size distribution carbon composite based on the gas-phase loading method demonstrate an excellent electrochemical property. The initial specific discharge capacity is 795.0 mAh g −1 at 800 mA g −1 , with a capacity retention of 86.3% after 100 cycles

Direct NMR Monitoring of Phase Separation Behavior of Highly Supersaturated Nifedipine Solution Stabilized with Hypromellose Derivatives.

Science.gov (United States)

Ueda, Keisuke; Higashi, Kenjirou; Moribe, Kunikazu

2017-07-03

We investigated the phase separation behavior and maintenance mechanism of the supersaturated state of poorly water-soluble nifedipine (NIF) in hypromellose (HPMC) derivative solutions. Highly supersaturated NIF formed NIF-rich nanodroplets through phase separation from aqueous solution containing HPMC derivative. Dissolvable NIF concentration in the bulk water phase was limited by the phase separation of NIF from the aqueous solution. HPMC derivatives stabilized the NIF-rich nanodroplets and maintained the NIF supersaturation with phase-separated NIF for several hours. The size of the NIF-rich phase was different depending on the HPMC derivatives dissolved in aqueous solution, although the droplet size had no correlation with the time for which NIF supersaturation was maintained without NIF crystallization. HPMC acetate and HPMC acetate succinate (HPMC-AS) effectively maintained the NIF supersaturation containing phase-separated NIF compared with HPMC. Furthermore, HPMC-AS stabilized NIF supersaturation more effectively in acidic conditions. Solution 1 H NMR measurements of NIF-supersaturated solution revealed that HPMC derivatives distributed into the NIF-rich phase during the phase separation of NIF from the aqueous solution. The hydrophobicity of HPMC derivative strongly affected its distribution into the NIF-rich phase. Moreover, the distribution of HPMC-AS into the NIF-rich phase was promoted at lower pH due to the lower aqueous solubility of HPMC-AS. The distribution of a large amount of HPMC derivatives into NIF-rich phase induced the strong inhibition of NIF crystallization from the NIF-rich phase. Polymer distribution into the drug-rich phase directly monitored by solution NMR technique can be a useful index for the stabilization efficiency of drug-supersaturated solution containing a drug-rich phase.

Exploring the Photoreduction of Au(III) Complexes in the Gas-Phase

Science.gov (United States)

Marcum, Jesse C.; Kaufman, Sydney H.; Weber, J. Mathias

2010-06-01

We have used photodissociation spectroscopy to probe the electronic structure and photoreduction of Au(III) in gas-phase complexes containing Cl- and OH-. The gas-phase electronic spectrum of [AuCl_4]- closely resembles the aqueous solution spectrum, showing a lack of strong solvatochromic shifts. Substitution of Cl- ligands with OH- results in a strong blue shift, in agreement with ligand-field theory. Upon excitation, [AuCl_4]- can dissociate by loss of either one or two neutral Cl atoms, resulting in the reduction of gold from Au(III) to Au(II) and Au(I) respectively. The hydroxide substituted complex, [AuCl_2(OH)_2]-, demonstrates similar behavior but the only observable fragment channel is the loss of two neutral OH ligands, leading only to Au(I).

Tethered Nanoparticle–Polymer Composites: Phase Stability and Curvature

KAUST Repository

Srivastava, Samanvaya

2012-04-17

Phase behavior of poly(ethylene glycol) (PEG) tethered silica nanoparticles dispersed in PEG hosts is investigated using small-angle X-ray scattering. Phase separation in dispersions of densely grafted nanoparticles is found to display strikingly different small-angle X-ray scattering signatures in comparison to phase-separated composites comprised of bare or sparsely grafted nanoparticles. A general diagram for the dispersion state and phase stability of polymer tethered nanoparticle-polymer composites incorporating results from this as well as various other contemporary studies is presented. We show that in the range of moderate to high grafting densities the dispersion state of nanoparticles in composites is largely insensitive to the grafting density of the tethered chains and chemistry of the polymer host. Instead, the ratio of the particle diameter to the size of the tethered chain and the ratio of the molecular weights of the host and tethered polymer chains (P/N) are shown to play a dominant role. Additionally, we find that well-functionalized nanoparticles form stable dispersions in their polymer host beyond the P/N limit that demarcates the wetting/dewetting transition in polymer brushes on flat substrates interacting with polymer melts. A general strategy for achieving uniform nanoparticle dispersion in polymers is proposed. © 2012 American Chemical Society.

Gas phase reactive collisions, experimental approach

Directory of Open Access Journals (Sweden)

Canosa A.

2012-01-01

Full Text Available Since 1937 when the first molecule in space has been identified, more than 150 molecules have been detected. Understanding the fate of these molecules requires having a perfect view of their photochemistry and reactivity with other partners. It is then crucial to identify the main processes that will produce and destroy them. In this chapter, a general view of experimental techniques able to deliver gas phase chemical kinetics data at low and very low temperatures will be presented. These techniques apply to the study of reactions between neutral reactants on the one hand and reactions involving charge species on the other hand.

The impact of fluid advection on gas hydrate stability: Investigations at sites of methane seepage offshore Costa Rica

Science.gov (United States)

Crutchley, G. J.; Klaeschen, D.; Planert, L.; Bialas, J.; Berndt, C.; Papenberg, C.; Hensen, C.; Hornbach, M. J.; Krastel, S.; Brueckmann, W.

2014-09-01

Fluid flow through marine sediments drives a wide range of processes, from gas hydrate formation and dissociation, to seafloor methane seepage including the development of chemosynthetic ecosystems, and ocean acidification. Here, we present new seismic data that reveal the 3D nature of focused fluid flow beneath two mound structures on the seafloor offshore Costa Rica. These mounds have formed as a result of ongoing seepage of methane-rich fluids. We show the spatial impact of advective heat flow on gas hydrate stability due to the channelled ascent of warm fluids towards the seafloor. The base of gas hydrate stability (BGHS) imaged in the seismic data constrains peak heat flow values to ∼60 mW m and ∼70 mW m beneath two separate seep sites known as Mound 11 and Mound 12, respectively. The initiation of pronounced fluid flow towards these structures was likely controlled by fault networks that acted as efficient pathways for warm fluids ascending from depth. Through the gas hydrate stability zone, fluid flow has been focused through vertical conduits that we suggest developed as migrating fluids generated their own secondary permeability by fracturing strata as they forced their way upwards towards the seafloor. We show that Mound 11 and Mound 12 (about 1 km apart on the seafloor) are sustained by independent fluid flow systems through the hydrate system, and that fluid flow rates across the BGHS are probably similar beneath both mounds. 2D seismic data suggest that these two flow systems might merge at approximately 1 km depth, i.e. much deeper than the BGHS. This study provides a new level of detail and understanding of how channelled, anomalously-high fluid flow towards the seafloor influences gas hydrate stability. Thus, gas hydrate systems have good potential for quantifying the upward flow of subduction system fluids to seafloor seep sites, since the fluids have to interact with and leave their mark on the hydrate system before reaching the seafloor.

Influence of additives on the stability of the phases of alumina

International Nuclear Information System (INIS)

Rosario, D.C.C.; Gouvea, D.

2011-01-01

Problems with the stability of gamma alumina in catalytic reactions have been solved with the inclusion of additives during the synthesis of alumina. These additives stabilize the temperature of phase transition allowing the use of metastable alumina at high temperatures, but the mechanisms of action of additives are not well defined. It is known that each family of additive or additives behaves in different ways for this stabilization. This work aimed to study the performance of MgO and ZrO 2 , respectively at different concentrations in alumina synthesized via Pechini. The samples were analyzed by DSC, X-ray diffraction, measurement of specific surface area by BET analysis, and infrared analysis. The results showed an increase in transition temperature for both additives, and a different changes for specific surface area, showing that MgO and ZrO 2 work on improving the stability but with distinct mechanisms. (author)

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

Science.gov (United States)

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

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

Directory of Open Access Journals (Sweden)

Hongda Chen

2018-01-01

Full Text Available 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

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

Science.gov (United States)

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

Visualization and measurement of liquid velocity field of gas-liquid metal two-phase flow using neutron radiography

International Nuclear Information System (INIS)

Saito, Yasushi; Suzuki, Tohru; Matsubayashi, Masahito

2000-01-01

In a core melt accident of a fast breeder reactor, a possibility of re-criticality is anticipated in the molten fuel-steel mixture pool. One of the mechanisms to suppress the re-criticality is the boiling of steel in the molten fuel-steel mixture pool because of the negative void reactivity effect. To evaluate the reactivity change due to boiling, it is necessary to know the characteristics of gas-liquid two-phase flow in the molten fuel-steel mixture pool. For this purpose, boiling bubbles in a molten fuel-steel mixture pool were simulated by adiabatic gas bubbles in a liquid metal pool to study the basic characteristics of gas-liquid metal two-phase mixture. Visualization of the two-phase mixture and measurements of liquid phase velocity and void fraction were conducted by using neutron radiography and image processing techniques. From these measurements, the basic characteristics of gas-liquid metal two-phase mixture were clarified. (author)

Acid-base equilibrium. A thermodynamic study of formation and stability of the Bi-2223 phase

International Nuclear Information System (INIS)

Xi, Z.; Zhou, L.

1993-01-01

A general acid-base equilibrium theory was proposed to explain the formation and stability of the Bi-2223 phase based on the Lewis acid base theory and principle of metallurgical physical chemistry. The acid-base nature of oxide was defined according to the electrostatic force between cation and oxygen anion. A series of experimental facts were systematically explained based on the theory: substitution of Bi for Ca in the Pb-free 2223 phase, and the effect of substitution of the high-valent cation for Bi 3+ ; oxygen-pressure atmosphere, and the heat-schocking technique on the formation and stability of the 2223 phase. 14 refs., 2 tabs

Two-Phase Phenomena In Wet Flue Gas Desulfurization Process

International Nuclear Information System (INIS)

Minzer, U.; Moses, E.J.; Toren, M.; Blumenfeld, Y.

1998-01-01

In order to reduce sulfur oxides discharge, Israel Electric Corporation (IEC) is building a wet Flue Gas Desulfurization (FGD) facility at Rutenberg B power station. The primary objective of IEC is to minimize the occurrence of stack liquid discharge and avoid the discharge of large droplets, in order to prevent acid rain around the stack. Liquid discharge from the stack is the integrated outcome of two-phase processes, which are discussed in this work. In order to estimate droplets discharge the present investigation employs analytical models, empirical tests, and numerical calculations of two-phase phenomena. The two-phase phenomena are coupled and therefore cannot be investigated separately. The present work concerns the application of Computational Fluid Dynamic (CFD) as an engineering complementary tool in the IEC investigation

FLUIDDYNAMIC ASPECTS OF GAS-PHASE ETHYLENE POLYMERIZATION REACTOR DESIGN

Directory of Open Access Journals (Sweden)

Guardani R.

1998-01-01

Full Text Available The relative importance of design variables affecting the fluiddynamic behavior of a fluidized bed reactor for the gas-phase ethylene polymerization is discussed, based on mathematical modeling. The three-phase bubbling fluidized bed model is based on axially distributed properties for the bubble, cloud and emulsion phases, combined with correlations for population balance and entrainment. Under the operating conditions adopted in most industrial processes, the reactor performance is affected mainly by the reaction rate and solids entrainment. Simulation results indicate that an adequate design of the freeboard and particle collecting equipment is of primary importance in order to produce polymeric particles with the desired size distribution, as well as to keep entrainment and catalyst feed rates at adequate levels.

Fractionation of Hydrocarbons Between Oil and Gas Phases Fractionnement des hydrocarbures entre les phases huile et gaz

Directory of Open Access Journals (Sweden)

Ruffier-Meray V.

2006-12-01

Full Text Available The investigation of hydrocarbon fractionation between oil and gas phases is of interest for several purposes in reservoir exploitation. In reservoir geochemistry, the evolution of light hydrocarbon fractions of oils may explain some migration phenomena. In gas injection projects, the preferred dissolution of some components in gas may alter the composition as well as the properties of the oil. Underground gas storage in depleted oil reservoirs may also be concerned by these problems. Results of several IFP studies are described here to illustrate and to quantify the phenomenon. Two of them, using real reservoir fluids, concern reservoir geochemistry, while the third, which is a swelling test, aimed to study gas injection, investigated a synthetic reservoir fluid with hydrocarbon components up to C30. Two pieces of equipment were used: a sapphire cell with a maximum pressure rating of 400 bar and a high pressure apparatus called Hercule with a maximum pressure of 1500 bar. For each fluid, the saturation pressure was measured. For various pressure levels below saturation, the coexisting liquid and gas phases were sampled at constant pressure, and subsequently analyzed by gas chromatography. In the gas injection study, sampling was repeated with different quantities of injection gas. Compared to a n-paraffin with the same number of carbon atoms, aromatic hydrocarbons appear to stay preferentially in the liquid phase, as do cycloalkanes to a lesser extent. The gaseous phase is slightly enriched in isoalkanes. These fractionation effects are less pronounced near the critical region. These phenomena have been modeled with a cubic equation of state combined with a group contribution mixing rule. L'étude du fractionnement des hydrocarbures légers entre les phases gazeuses et liquides intéresse plusieurs domaines dans le cadre de l'exploitation des gisements. En géochimie de réservoir l'évolution de la composition de la fraction légère peut

Gas phase fractionation method using porous ceramic membrane

Science.gov (United States)

Peterson, Reid A.; Hill, Jr., Charles G.; Anderson, Marc A.

1996-01-01

Flaw-free porous ceramic membranes fabricated from metal sols and coated onto a porous support are advantageously used in gas phase fractionation methods. Mean pore diameters of less than 40 .ANG., preferably 5-20 .ANG. and most preferably about 15 .ANG., are permeable at lower pressures than existing membranes. Condensation of gases in small pores and non-Knudsen membrane transport mechanisms are employed to facilitate and increase membrane permeability and permselectivity.

Gas Phase Hydrogenation of Levulinic Acid to gamma-Valerolactone

NARCIS (Netherlands)

Bonrath, Werner; Castelijns, Anna Maria Cornelia Francisca; de Vries, Johannes Gerardus; Guit, Rudolf Philippus Maria; Schuetz, Jan; Sereinig, Natascha; Vaessen, Henricus Wilhelmus Leonardus Marie

The gas phase hydrogenation of levulinic acid to gamma-valerolactone over copper and ruthenium based catalysts in a continuous fixed-bed reactor system was investigated. Among the catalysts a copper oxide based one [50-75 % CuO, 20-25 % SiO2, 1-5 % graphite, 0.1-1 % CuCO3/Cu(OH)(2)] gave

The effect of Sn addition on phase stability and phase evolution during aging heat treatment in Ti–Mo alloys employed as biomaterials

Energy Technology Data Exchange (ETDEWEB)

Mello, Mariana G. de, E-mail: marianagm@fem.unicamp.br; Salvador, Camilo F., E-mail: csalvador@fem.unicamp.br; Cremasco, Alessandra, E-mail: alessandra@fem.unicamp.br; Caram, Rubens, E-mail: caram@fem.unicamp.br

2015-12-15

Increases in life expectancy and improvements in necessary healthcare attach great importance to the development of biomaterials. Ti alloys containing β stabilizing elements are often used as biomaterials due to their high specific strength, high corrosion resistance, unusual biocompatibility and low elastic moduli, which benefit bone tissues close to an implant. This study deals with phase stability in β Ti–Mo–Sn alloys processed under different conditions and was performed according to the following steps: a study of the effect of Sn content (a) on phase stability in Ti–Mo alloys, (b) on the suppression of α″ and ω phase precipitation; (c) on α-phase precipitation during aging heat treatments and (d) on mechanical properties, including the elastic modulus, as measured using tensile tests and acoustic techniques. The alloys were prepared by arc melting under a controlled atmosphere followed by homogenization heat treatment and hot rolling. Optical microscopy, scanning and transmission electron microscopy, X-ray diffraction and differential scanning calorimetry were employed for characterization purposes. Samples were also submitted to solution treatment above the β transus temperature and aging heat treatments under a controlled atmosphere. The results suggest that Sn suppresses the formation of the ω and α″ phases in Ti–Mo system. - Highlights: • Sn addition to Ti alloys decreases elastic modulus by suppressing ω phase precipitation. • Sn addition decreases the temperature of martensite decomposition. • Sn addition decreases the temperature of α phase precipitation and β transus. • Mechanical strength decreases with increasing Sn content.

The effect of Sn addition on phase stability and phase evolution during aging heat treatment in Ti–Mo alloys employed as biomaterials

International Nuclear Information System (INIS)

Mello, Mariana G. de; Salvador, Camilo F.; Cremasco, Alessandra; Caram, Rubens

2015-01-01

Increases in life expectancy and improvements in necessary healthcare attach great importance to the development of biomaterials. Ti alloys containing β stabilizing elements are often used as biomaterials due to their high specific strength, high corrosion resistance, unusual biocompatibility and low elastic moduli, which benefit bone tissues close to an implant. This study deals with phase stability in β Ti–Mo–Sn alloys processed under different conditions and was performed according to the following steps: a study of the effect of Sn content (a) on phase stability in Ti–Mo alloys, (b) on the suppression of α″ and ω phase precipitation; (c) on α-phase precipitation during aging heat treatments and (d) on mechanical properties, including the elastic modulus, as measured using tensile tests and acoustic techniques. The alloys were prepared by arc melting under a controlled atmosphere followed by homogenization heat treatment and hot rolling. Optical microscopy, scanning and transmission electron microscopy, X-ray diffraction and differential scanning calorimetry were employed for characterization purposes. Samples were also submitted to solution treatment above the β transus temperature and aging heat treatments under a controlled atmosphere. The results suggest that Sn suppresses the formation of the ω and α″ phases in Ti–Mo system. - Highlights: • Sn addition to Ti alloys decreases elastic modulus by suppressing ω phase precipitation. • Sn addition decreases the temperature of martensite decomposition. • Sn addition decreases the temperature of α phase precipitation and β transus. • Mechanical strength decreases with increasing Sn content.

Axial dispersion of gas and solid phases in a gas—solid packed column at trickle flow

NARCIS (Netherlands)

Roes, A.W.M.; van Swaaij, Willibrordus Petrus Maria

1979-01-01

Axial dispersion of gas and solid phases in a gas—solid packed column at trickle flow, a promising new countercurrent operation, was evaluated using residence time distribution (RTD) experiments. The column was packed with dumped Pall rings, the gas phase was air at ambient conditions and the solid

Phase stability in wear-induced supersaturated Al-Ti solid solution

Energy Technology Data Exchange (ETDEWEB)

Watanabe, Y.; Yokoyama, K. [Dept. of Functional Machinery Mechanics Shinshu Univ., Ueda (Japan); Hosoda, H. [Precision and Intelligence Lab., Tokyo Inst. of Tech., Nagatsuta, Midori-ku, Yokohama (Japan)

2002-07-01

Al-Ti supersaturated solid solutions were introduced by wear testing and the rapid quenching of an Al/Al{sub 3}Ti composite (part of an Al/Al{sub 3}Ti functionally graded material) that was fabricated using the centrifugal method. The phase stability of the supersaturated solid solution was studied through systematic annealing of the supersaturated solid solution. It was found that the Al-Ti supersaturated solid solution decomposed into Al and Al{sub 3}Ti intermetallic compound phases during the heat treatment. The Al-Ti supersaturated solid solutions fabricated were, therefore, not an equilibrium phase, and thus decomposed into the equilibrium phases during heat treatment. It was also found that heat treatment leads to a significant hardness increase for the Al-Ti supersaturated solid solution. Finally, it was concluded that formation of the wear-induced supersaturated solid solution layer was a result of severe plastic deformation. (orig.)

Investigating the Thermal and Phase Stability of Nanocrystalline Ni-W Produced by Electrodeposition, Sputtering, and Mechanical Alloying

Science.gov (United States)

Marvel, Christopher Jonathan

The development of nanocrystalline materials has been increasingly pursued over the last few decades. They have been shown to exhibit superior properties compared to their coarse-grain counterparts, and thus present a tremendous opportunity to revolutionize the performance of nanoscale devices or bulk structural materials. However, nanocrystalline materials are highly prone to grain growth, and if the nanocrystalline grains coarsen, the beneficial properties are lost. There is a strong effort to determine the most effective thermal stability mechanisms to avoid grain growth, but the physical nature of nanocrystalline grain growth is still unclear due to a lack of detailed understanding of nanocrystalline microstructures. Furthermore, the influence of contamination has scarcely been explored with advanced transmission electron microscopy techniques, nor has there been a direct comparison of alloys fabricated with different bulk processes. Therefore, this research has applied aberration-corrected scanning transmission electron microscopy to characterize nanocrystalline Ni-W on the atomic scale and elucidate the physical grain growth behavior. Three primary objectives were pursued: (1) explore the thermal stability mechanisms of nanocrystalline Ni-W, (2) evaluate the phase stability of Ni-W and link any findings to grain growth behavior, and (3) compare the influences of bulk fabrication processing, including electrodeposition, DC magnetron sputtering, and mechanical alloying, on the thermal stability and phase stability of Ni-W. Several thermal stability mechanisms were identified throughout the course of this research. First and foremost, W-segregation was scarcely observed to grain boundaries, and it is unclear if W-segregation improves thermal stability contrary to most reports in the 2 literature. Long-range Ni4W chemical ordering was observed in alloys with more than 20 at.% W, and it is likely Ni4W domains reduce grain boundary mobility. In addition, lattice

Acrolein Production by Gas-Phase Glycerol Dehydration Using PO₄/Nb₂O5 Catalysts.

Science.gov (United States)

Lee, Kyu Am; Ryoo, HeeKyoung; Ma, Byung Chol; Kim, Youngchul

2018-02-01

In this study, modified niobium oxide were prepared to study the addictive effects on the catalytic performance for gas-phase glycerol dehydration. The catalysts were characterized by N2 adsorption/desorption, XRD, NH3-TPD, FT-IR. The amount of phosphoric acid was up to 50 wt% in niobium. As a result, the highest glycerol conversion was achieved over 20 wt% PO4/Nb2O5. It indicates that the optimal amount of phosphoric acid leads the catalyst to have appropriate acidity which is an important factor for gas-phase glycerol dehydration.

The nuclear liquid-gas phase transition: Present status and future perspectives

International Nuclear Information System (INIS)

Pochodzalla, J.; Imme, G.; Maddalena, V.

1996-07-01

More than two decades ago, the van der Waals behavior of the nucleon -nucleon force inspired the idea of a liquid-gas phase transition in nuclear matter. Heavy-ion reactions at relativistic energies offer the unique possibility for studying this phase transition in a finite, hadronic system. A general overview of this subject is given emphasizing the most recent results on nuclear calorimetry. (orig.)

Photoisomerization action spectroscopy of the carbocyanine dye DTC+ in the gas phase.

Science.gov (United States)

Adamson, Brian D; Coughlan, Neville J A; da Silva, Gabriel; Bieske, Evan J

2013-12-19

Molecular photoisomerization plays a crucial role in diverse biological and technological contexts. Here, we combine ion mobility spectrometry and laser spectroscopy to characterize the photoisomerization of molecular cations in the gas phase. The target molecular ions, polymethine dye cations 3,3'-diethylthiacarbocyanine (DTC(+)), are propelled through helium buffer gas by an electric field and are photoisomerized by light from a tunable laser. Photoexcitation over the 450-570 nm range converts trans-DTC(+) to cis-DTC(+), noticeably modifying the ions' arrival time distribution. The photoisomerization action spectrum, which has a maximum at 535 nm, resembles the absorption spectrum of DTC(+) in solution but is shifted 25 nm to shorter wavelength. Comparisons between measured and calculated mobilities suggest that the photoisomer involves a twist about the second C-C bond in the methine chain (8,9-cis isomer) rather than a twist about the first methine C-C bond (2,8-cis isomer). It is postulated that the excited gas-phase ions internally convert from the S1 Franck-Condon region to the S0 manifold and explore the conformational landscape as they cool through He buffer gas collisions. Master equation simulations of the relaxation process in the S0 manifold suggest that the 8,9-cis isomer is preferred over the 2,8-cis isomer because it lies lower in energy and because it is separated from the trans isomer by a substantially higher barrier. The study demonstrates that the photoisomerization of molecular ions can be probed selectively in the gas phase, providing insights into photoisomerization mechanisms and information on the solvent-free absorption spectrum.

The β-1,3-glucanosyltransferase Gas1 regulates Sir2-mediated rDNA stability in Saccharomyces cerevisiae.

Science.gov (United States)

Ha, Cheol Woong; Kim, Kwantae; Chang, Yeon Ji; Kim, Bongkeun; Huh, Won-Ki

2014-07-01

In Saccharomyces cerevisiae, the stability of highly repetitive rDNA array is maintained through transcriptional silencing. Recently, a β-1,3-glucanosyltransferase Gas1 has been shown to play a significant role in the regulation of transcriptional silencing in S. cerevisiae. Here, we show that the gas1Δ mutation increases rDNA silencing in a Sir2-dependent manner. Remarkably, the gas1Δ mutation induces nuclear localization of Msn2/4 and stimulates the expression of PNC1, a gene encoding a nicotinamidase that functions as a Sir2 activator. The lack of enzymatic activity of Gas1 or treatment with a cell wall-damaging agent, Congo red, exhibits effects similar to those of the gas1Δ mutation. Furthermore, the loss of Gas1 or Congo red treatment lowers the cAMP-dependent protein kinase (PKA) activity in a cell wall integrity MAP kinase Slt2-dependent manner. Collectively, our results suggest that the dysfunction of Gas1 plays a positive role in the maintenance of rDNA integrity by decreasing PKA activity and inducing the accumulation of Msn2/4 in the nucleus. It seems that nuclear-localized Msn2/4 stimulate the expression of Pnc1, thereby enhancing the association of Sir2 with rDNA and promoting rDNA stability. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

Visualization for gas-liquid two-phase flow using wire mesh tomography

International Nuclear Information System (INIS)

Motegi, Yuichi; Wanjiraniran, Weerin; Kikura, Hiroshige; Aritomi, Masanori; Yamauchi, Toyoaki

2003-01-01

Wire Mesh Tomography (WMT), which is system to measure two-phase flow, has been developed in our laboratory. Measurement principle of WMT is detecting conductivity difference between gas and liquid. WMT measures void fraction as raw date, and calculates gas velocity and bubble volume etc. In this paper, this measurement technique was applied to vertical circular pipe of 50 mm diameter and about 7 m heights. New Wire Mesh Sensor (WMS), which is measurement part of WMT, for circular pipe, have been made. When experiment was performed, superficial gas and water velocity. The effect of each flow parameter was found for void fraction, true gas velocity and bubble volume and the results was in good agreement with the past research, qualitatively. (author)

Gas-phase salt bridge interactions between glutamic acid and arginine

NARCIS (Netherlands)

Jaeqx, S.; Oomens, J.; Rijs, A.M.

2013-01-01

The gas-phase side chain-side chain (SC-SC) interaction and possible proton transfer between glutamic acid (Glu) and arginine (Arg) residues are studied under low-temperature conditions in an overall neutral peptide. Conformation-specific IR spectra, obtained with the free electron laser FELIX, in

SVOC partitioning between the gas phase and settled dust indoors

DEFF Research Database (Denmark)

Weschler, Charles J.; Nazaroff, W. W.

2010-01-01

Semivolatile organic compounds (SVOCs) are a major class of indoor pollutants. Understanding SVOC partitioning between the gas phase and settled dust is important for characterizing the fate of these species indoors and the pathways by which humans are exposed to them. Such knowledge also helps...

Analyses of liquid-gas two-phase flow in fermentation tanks

International Nuclear Information System (INIS)

Toi, Takashi; Serizawa, Akimi; Takahashi, Osamu; Kawara, Zensaku; Gofuku, Akio; Kataoka, Isao.

1993-01-01

The understanding of two-phase flow is one of the important problems for both design and safety analyses of various engineering systems. For example, the flow conditions in beer fermentation tanks have an influence on the quality of production and productivity of tank. In this study, a two-dimensional numerical calculation code based on the one-pressure two-fluid model is developed to understand the circulation structure of low quality liquid-gas two-phase flows induced by bubble plume in a tank. (author)

A new method for determining gas phase heat of formation of aromatic energetic compounds

Energy Technology Data Exchange (ETDEWEB)

Keshavarz, Mohammad H. [Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr P. O. Box 83145/115 (Iran); Tehrani, Masoud K. [Department of Physics, Malek-ashtar University of Technology, Shahin-shahr P. O. Box 83145/115 (Iran)

2007-04-15

A new correlation is introduced for desk calculation of gas phase heat of formation of aromatic energetic compounds that contain the elements of carbon, hydrogen, nitrogen and oxygen. Predicted gas phase heats of formation for 26 energetic compounds have a root mean square of deviation from experiment of 20.67 kJ/mol, which is in good agreement with respect to measured values of oxygen-lean and oxygen-rich aromatic energetic compounds. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

Phase structures of the black Dp-D(p+4)-brane system in various ensembles II: electrical and thermodynamic stability

International Nuclear Information System (INIS)

Xiao, Zhiguang; Zhou, Da

2015-01-01

By incorporating the electrical stability condition into the discussion, we continue the study on the thermodynamic phase structures of the Dp-D(p+4) black brane in GG, GC, CG, CC ensembles defined in our previous paper http://dx.doi.org/10.1007/JHEP07(2015)134. We find that including the electrical stability conditions in addition to the thermal stability conditions does not modify the phase structure of the GG ensemble but puts more constraints on the parameter space where black branes can stably exist in GC, CG, CC ensembles. In particular, the van der Waals-like phase structure which was supposed to be present in these ensembles when only thermal stability condition is considered would no longer be visible, since the phase of the small black brane is unstable under electrical fluctuations. However, the symmetry of the phase structure by interchanging the two kinds of brane charges and potentials is still preserved, which is argued to be the result of T-duality.

Simultaneous measurements of formaldehyde and nitrous acid in dews and gas phase in the atmosphere of Santiago, Chile

Science.gov (United States)

Rubio, María A.; Lissi, Eduardo; Villena, Guillermo; Elshorbany, Y. F.; Kleffmann, Jörg; Kurtenbach, Ralf; Wiesen, Peter

2009-12-01

The amounts of formaldehyde and nitrous acid (HONO) in gas phase and dews of Santiago de Chile were simultaneously measured. Formaldehyde concentrations values in the liquid phase (dews) correlate fairly well with those in the gaseous phase and are even higher than those expected from gas-dew equilibrium. On the other hand, nitrite concentrations in dews were considerably smaller (ca. 15 times) than those expected from the gas-phase concentrations. This under-saturation is attributed to diffusion limitations due to the relatively large HONO solubility. In agreement with this, under-saturation increases with the rate of dew formation and the pH of the collected waters, factors that should increase the rate of gas to liquid HONO transfer required to reach equilibrium.

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

Science.gov (United States)

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.

Improving the phase stability of the SLAC rf driveline network for SLC operation

International Nuclear Information System (INIS)

Weaver, J.N.; Hogg, H.A.

1983-01-01

Successful operation of the Stanford Linear Collider (SLC) will require greater phase stability from the two-mile long rf drive network than previous linac operation did. This paper discusses four proposed modifications of the present system that should help achieve the general objective to reduce all long term temperature and atmospheric pressure induced phase variations to less than 20 0 at 2856 MHz, so that the phase/amplitude detector subsystems, which will control the network output phases relative to a beam reference, will operate within their most accurate ranges

Gas-phase and liquid-phase pre-irradiation grafting of AAc onto LDPE and HDPE films for pervaporation membranes

International Nuclear Information System (INIS)

Rao Zhigong; Li Guixiang; Sugo, Takanobu; Okamoto, Jiro

1992-01-01

A study has been made on gas-phase and liquid-phase pre-irradiation grafting of acrylic acid onto LDPE and HDPE films for pervaporation membranes of ethanol-water mixtures. It was found that the degree of grafting, percent volume change of grafted membranes and length of grafting chains depend on the methods of grafting, crystal state of substrate films and diffusion rate of the monomer in the films. The pervaporation characteristics of grafted membranes is influenced directly by the surface hydrophilicity of grafted membranes, temperature of the feed, degree of grafting, crosslinking of grafted chains and alkaline metal ions in the functional groups. The potassium ion exchange membrane of HDPE synthesized by gas-phase grafting has better pervaporation efficiency. At 80 wt% ethanol in the feed, 25 o C feed temperature and 70% degree of grafting a grafted membrane has a 0.65 kg/m 2 h flux and a separation factor of 20. (Author)

The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid

Science.gov (United States)

Skouteris, Dimitrios; Balucani, Nadia; Ceccarelli, Cecilia; Vazart, Fanny; Puzzarini, Cristina; Barone, Vincenzo; Codella, Claudio; Lefloch, Bertrand

2018-02-01

Despite the harsh conditions of the interstellar medium, chemistry thrives in it, especially in star-forming regions where several interstellar complex organic molecules (iCOMs) have been detected. Yet, how these species are synthesized is a mystery. The majority of current models claim that this happens on interstellar grain surfaces. Nevertheless, evidence is mounting that neutral gas-phase chemistry plays an important role. In this paper, we propose a new scheme for the gas-phase synthesis of glycolaldehyde, a species with a prebiotic potential and for which no gas-phase formation route was previously known. In the proposed scheme, the ancestor is ethanol and the glycolaldehyde sister species are acetic acid (another iCOM with unknown gas-phase formation routes) and formic acid. For the reactions of the new scheme with no available data, we have performed electronic structure and kinetics calculations deriving rate coefficients and branching ratios. Furthermore, after a careful review of the chemistry literature, we revised the available chemical networks, adding and correcting several reactions related to glycolaldehyde, acetic acid, and formic acid. The new chemical network has been used in an astrochemical model to predict the abundance of glycolaldehyde, acetic acid, and formic acid. The predicted abundance of glycolaldehyde depends on the ethanol abundance in the gas phase and is in excellent agreement with the measured one in hot corinos and shock sites. Our new model overpredicts the abundance of acetic acid and formic acid by about a factor of 10, which might imply a yet incomplete reaction network.

All-gas-phase synthesis of UiO-66 through modulated atomic layer deposition

Science.gov (United States)

Lausund, Kristian Blindheim; Nilsen, Ola

2016-11-01

Thin films of stable metal-organic frameworks (MOFs) such as UiO-66 have enormous application potential, for instance in microelectronics. However, all-gas-phase deposition techniques are currently not available for such MOFs. We here report on thin-film deposition of the thermally and chemically stable UiO-66 in an all-gas-phase process by the aid of atomic layer deposition (ALD). Sequential reactions of ZrCl4 and 1,4-benzenedicarboxylic acid produce amorphous organic-inorganic hybrid films that are subsequently crystallized to the UiO-66 structure by treatment in acetic acid vapour. We also introduce a new approach to control the stoichiometry between metal clusters and organic linkers by modulation of the ALD growth with additional acetic acid pulses. An all-gas-phase synthesis technique for UiO-66 could enable implementations in microelectronics that are not compatible with solvothermal synthesis. Since this technique is ALD-based, it could also give enhanced thickness control and the possibility to coat irregular substrates with high aspect ratios.

Collagen films with stabilized liquid crystalline phases and concerns on osteoblast behaviors

Energy Technology Data Exchange (ETDEWEB)

Tang, Minjian; Ding, Shan; Min, Xiang; Jiao, Yanpeng, E-mail: tjiaoyp@jnu.edu.cn; Li, Lihua; Li, Hong; Zhou, Changren, E-mail: tcrz9@jnu.edu.cn

2016-01-01