WorldWideScience

Sample records for warm gas phase

  1. The warm molecular gas and dust of Seyfert galaxies: two different phases of accretion?

    CERN Document Server

    Mezcua, M; Fernández-Ontiveros, J A; Tristram, K; Neumayer, N

    2015-01-01

    The distribution of warm molecular gas (1000--3000 K), traced by the near-IR H$_2$ 2.12 $\\mu$m line, has been imaged with a resolution $<0.5$ arcsec in the central 1 kpc of seven nearby Seyfert galaxies. We find that this gas is highly concentrated towards the central 100 pc and that its morphology is often symmetrical. Lanes of warm H$_2$ gas are observed only in three cases (NGC\\,1068, NGC\\,1386 and Circinus) for which the morphology is much wider and extended than the dust filaments. We conclude that there is no one-to-one correlation between dust and warm gas. This indicates that, if the dust filaments and lanes of warm gas are radial streaming motions of fueling material, they must represent \\textit{two different phases of accretion}: the dust filaments represent a colder phase than the gas close to the nucleus (within $\\sim$100 pc). We predict that the morphology of the nuclear dust at these scales should resemble that of the cold molecular gas (e.g. CO at 10-40 K), as we show for CenA and NGC\\,1566 ...

  2. Molecular gas in spiral galaxies a new warm phase at large galactocentric distances?

    CERN Document Server

    Papadopoulos, P P; Viti, S

    2002-01-01

    There is now strong evidence suggesting that the 12CO J = 1-0 transition, widely used to trace H2 gas, significantly underestimates its mass in metal-poor regions. In spiral disks such regions are found in large galactocentric distances where we show that any unaccounted H2 gas phase is likely to be diffuse (~5-20 cm^-3) and warmer (T(kin) ~ 50-100 K) than the cool (T(kin) ~ 15-20 K) CO-luminous one. Moreover we find that a high value of the H2 formation rate on grains, suggested by recent observational work, can compensate for the reduction of the available grain surface in the metal-poor part of typical galactic disks and thus enhance this CO-poor H2 component which may be contributing significantly to the mass and pressure of spiral disks beyond their optical radius.

  3. Warm gas in protoplanetary disks

    Science.gov (United States)

    van der Plas, Gerrit

    2010-12-01

    This thesis presents a study of warm CO, [OI] and H2 gas coming from the disks around Herbig Ae/Be stars. These various gas tracers are each a proxy for a different radial and vertical region of the PP disk surface. Our sample consists of disks whose shape (based on modeling of the the disk dust emission) can be divided into flaring and self-shadowed (flat). We find [1] evidence for the vertical decoupling of gas and dust in one disks (Chapter 2); [2] That disk geometry has a large influence on the spatial distribution and excitation mechanism of the CO emission (chapters 3,4); [3] Near-IR H 2 emission around 2 (out of 14) HAEBE stars, probably originating from large (±50AU) radii of the disk (chapter 5). In chapter 6 we investigate the trends between CO emission and disk geometry as noted in Chapter 3 and 4.

  4. Recent progress in understanding the hot and warm gas phases in the halos of star-forming galaxies

    CERN Document Server

    Strickland, D K; Colbert, E J M; Hoopes, C G; Weaver, K A

    2002-01-01

    In this contribution we present a few selected examples of how the latest generation of space-based instrumentation -- NASA's Chandra X-ray Observatory and the Far-Ultraviolet Spectroscopic Explorer (FUSE) -- are finally answering old questions about the influence of massive star feedback on the warm and hot phases of the ISM and IGM. In particular, we discuss the physical origin of the soft thermal X-ray emission in the halos of star-forming and starburst galaxies, its relationship to extra-planar H-alpha emission, and plasma diagnostics using FUSE observations of O VI absorption and emission.

  5. Warm gas phase chemistry as possible origin of high HDO/H2O ratios in hot and dense gases: application to inner protoplanetary discs

    CERN Document Server

    Thi, Wing-Fai; Kamp, Inga

    2009-01-01

    The origin of Earth oceans is controversial. Earth could have acquired its water either from hydrated silicates (wet Earth scenario) or from comets (dry Earth scenario). [HDO]/[H2O] ratios are used to discriminate between the scenarios. High [HDO]/[H2O] ratios are found in Earth oceans. These high ratios are often attributed to the release of deuterium enriched cometary water ice, which was formed at low gas and dust temperatures. Observations do not show high [HDO]/[H2O] in interstellar ices. We investigate the possible formation of high [HDO]/[H2O] ratios in dense (nH> 1E6 cm^{-3}) and warm gas (T=100-1000 K) by gas-phase photochemistry in the absence of grain surface chemistry. We derive analytical solutions, taking into account the major neutral-neutral reactions for gases at T>100 K. The chemical network is dominated by photodissociation and neutral-neutral reactions. Despite the high gas temperature, deuterium fractionation occurs because of the difference in activation energy between deuteration enrich...

  6. Warm Absorbing Gas in Cooling Flows

    OpenAIRE

    Buote, David A.

    2000-01-01

    We summarize the discovery of oxygen absorption and warm (10^5-10^6 K) gas in cooling flows. Special attention is given to new results for M87 for which we find the strongest evidence to date for ionized oxygen absorption in these systems. We briefly discuss implications for observations of cooling flows with Chandra and XMM.

  7. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

  8. Warm Molecular Gas in Luminous Infrared Galaxies

    CERN Document Server

    Lu, N; Xu, C K; Gao, Y; Armus, L; Mazzarella, J M; Isaak, K G; Petric, A O; Charmandaris, V; Diaz-Santos, T; Evans, A S; Howell, J; Appleton, P; Inami, H; Iwasawa, K; Leech, J; Lord, S; Sanders, D B; Schulz, B; Surace, J; van der Werf, P P

    2014-01-01

    We present our initial results on the CO rotational spectral line energy distribution (SLED) of the $J$ to $J$$-$1 transitions from $J=4$ up to $13$ from Herschel SPIRE spectroscopic observations of 65 luminous infrared galaxies (LIRGs) in the Great Observatories All-Sky LIRG Survey (GOALS). The observed SLEDs change on average from one peaking at $J \\le 4$ to a broad distribution peaking around $J \\sim\\,$6$-$7 as the IRAS 60-to-100 um color, $C(60/100)$, increases. However, the ratios of a CO line luminosity to the total infrared luminosity, $L_{\\rm IR}$, show the smallest variation for $J$ around 6 or 7. This suggests that, for most LIRGs, ongoing star formation (SF) is also responsible for a warm gas component that emits CO lines primarily in the mid-$J$ regime ($5 \\lesssim J \\lesssim 10$). As a result, the logarithmic ratios of the CO line luminosity summed over CO (5$-$4), (6$-$5), (7$-$6), (8$-$7) and (10$-$9) transitions to $L_{\\rm IR}$, $\\log R_{\\rm midCO}$, remain largely independent of $C(60/100)$, ...

  9. Atmospheric gas-phase degradation and global warming potentials of 2-fluoroethanol, 2,2-difluoroethanol, and 2,2,2-trifluoroethanol

    Science.gov (United States)

    Sellevåg, Stig Rune; Nielsen, Claus J.; Søvde, Ole Amund; Myhre, Gunnar; Sundet, Jostein K.; Stordal, Frode; Isaksen, Ivar S. A.

    The vapour phase reactions of 2-fluoroethanol, 2,2-difluoroethanol, and 2,2,2-trifluoroethanol with OH radicals and Cl atoms were studied at 298 K and 1013 mbar using long-path FTIR detection. The following reaction rate coefficients were determined by the relative rate method: k298(OH+CH 2FCH 2OH)=(1.42±0.11)×10 -12, k298(OH+CHF 2CH 2OH)=(4.51±0.06)×10 -13, k298(OH+CF 3CH 2OH)=(1.23±0.06)×10 -13, k298(Cl+CH 2FCH 2OH)=(2.67±0.3)×10 -11, k298(Cl+CHF 2CH 2OH)=(3.12±0.06)×10 -12, and k298(Cl+CF 3CH 2OH)=(7.42±0.12)×10 -13 cm 3 molecule -1 s -1; the reported uncertainties represent 3σ from the statistical analyses and do not include any systematic errors or uncertainties in the reference rate coefficients. Quantitative infrared cross-sections of the title compounds at 298 K are reported in the 4000-50 cm -1 region. A 3D chemistry transport model was applied to calculate the atmospheric distributions and lifetimes of the title compounds; the global and yearly averaged lifetimes were calculated as 20 days for CH 2FCH 2OH, 40 days for CHF 2CH 2OH, and 117 days for CF 3CH 2OH. Radiative forcing calculations were carried out assuming either constant vertical profiles or the distribution derived from the chemistry transport model. The Global Warming Potentials for the title compounds are insignificant compared to, e.g. CFC-11 (CCl 3F).

  10. 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

  11. 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...

  12. 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...

  13. 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 possib...

  14. Net global warming potential and greenhouse gas intensity

    Science.gov (United States)

    Various methods exist to calculate global warming potential (GWP) and greenhouse gas intensity (GHG) as measures of net greenhouse gas (GHG) emissions from agroecosystems. Little is, however, known about net GWP and GHGI that account for all sources and sinks of GHG emissions. Sources of GHG include...

  15. SOFIA Observations of S106: Dynamics of the Warm Gas

    Science.gov (United States)

    Simon, R.; Schneider, N.; Stutzki, J.; Gusten, R.; Graf, U. U.; Hartogh, P.; Guan, X.; Staguhn, J. G.; Benford, D. J.

    2012-01-01

    Context The H II region/PDR/molecular cloud complex S106 is excited by a single O-star. The full extent of the warm and dense gas close to the star has not been mapped in spectrally resolved high-J CO or [C II] lines, so the kinematics of the warm. partially ionized gas, are unknown. Whether the prominent dark lane bisecting the hourglass-shaped nebula is due solely to the shadow cast by a small disk around the exciting star or also to extinction in high column foreground gas was an open question until now. Aims. To disentangle the morphology and kinematics of warm neutral and ionized gas close to the star, study their relation to the bulk of the molecular gas. and to investigate the nature of the dark lane. Methods. We use the heterodyne receiver GREAT on board SOFIA to observe velocity resolved spectral lines of [C II] and CO 11 yields 10 in comparison with so far unpublished submm continuum data at 350 micron (8HARC-Il) and complementary molecular line data. Results. The high angular and spectral resolution observations show a very complex morphology and kinematics of the inner S106 region, with many different components at different excitation conditions contributing to the observed emission. The [C II] lines are found to be bright and very broad. tracing high velocity gas close to the interface of molecular cloud and H II region. CO 11 yields 10 emission is more confined.. both spatially and in velocity, to the immediate surroundings of S 106 IR showing the presence of warm, high density (clumpy) gas. Our high angular resolution submm continuum observations rule out the scenario where the dark lane separating the two lobes is due solely to the shadow cast by a small disk close to the star. The lane is clearly seen also as warm, high column density gas at the boundary of the molecular cloud and H II region.

  16. Simulation of gas production from hydrate reservoir by the combination of warm water flooding and depressurization

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Gas production from hydrate reservoir by the combination of warm water flooding and depressurization is proposed,which can overcome the deficiency of single production method.Based on the combination production method,the physical and mathematical models are developed to simulate the hydrate dissociation.The mathematical model can be used to analyze the effects of the flow of multiphase fluid,the kinetic process of hydrate dissociation,the endothermic process of hydrate dissociation,ice-water phase equilibrium,the convection and conduction on the hydrate dissociation and gas and water production.The mechanism of gas production by the combination of warm water flooding and depressurization is revealed by the numerical simulation.The evolutions of such physical variables as pressure,temperature,saturations and gas and water rates are analyzed.Numerical results show that under certain conditions the combination method has the advantage of longer stable period of high gas rate than the single producing method.

  17. The sulfur depletion problem: upper limits on the H2S2, HS2, and S2 gas-phase abundances toward the low-mass warm core IRAS16293-2422

    CERN Document Server

    Martín-Doménech, R; Caro, G M Muñoz; Müller, H S P; Occhiogrosso, A; Testi, L; Woods, P M; Viti, S

    2016-01-01

    A fraction of the missing sulfur in dense clouds and circumstellar regions could be in the form of three species not yet de- tected in the interstellar medium: H2S2, HS2, and S2 according to experimental simulations performed under astrophysically relevant conditions. These S-S bonded molecules can be formed by the energetic processing of H2S-bearing ice mantles on dust grains, and subsequently desorb to the gas phase. The detection of these species could partially solve the sulfur depletion problem, and would help to improve our knowledge of the poorly known chemistry of sulfur in the interstellar medium. To this purpose we performed dedicated ground-based observations toward the low-mass warm core IRAS16293-2422. Observations in the submillimeter regime were obtained with the APEX 12 m telescope during 15 hours of observation, targeting a wide selection of the predicted rotational transitions of the three molecules. The 1{\\sigma} noise rms values were extracted in the spectral regions where the targeted spe...

  18. Warm gas towards young stellar objects in Corona Australis

    DEFF Research Database (Denmark)

    Lindberg, Johan; Jørgensen, Jes Kristian; D. Green, Joel;

    2014-01-01

    by an intermediate-mass young star. We study the effects on the warm gas and dust in a group of low-mass young stellar objects from the irradiation by the young luminous Herbig Be star R CrA. Herschel/PACS far-infrared datacubes of two low-mass star-forming regions in the R CrA dark cloud are presented...

  19. Warm Pressurant Gas Effects on the Liquid Hydrogen Bubble Point

    Science.gov (United States)

    Hartwig, Jason W.; McQuillen, John B.; Chato, David J.

    2013-01-01

    This paper presents experimental results for the liquid hydrogen bubble point tests using warm pressurant gases conducted at the Cryogenic Components Cell 7 facility at the NASA Glenn Research Center in Cleveland, Ohio. The purpose of the test series was to determine the effect of elevating the temperature of the pressurant gas on the performance of a liquid acquisition device. Three fine mesh screen samples (325 x 2300, 450 x 2750, 510 x 3600) were tested in liquid hydrogen using cold and warm noncondensible (gaseous helium) and condensable (gaseous hydrogen) pressurization schemes. Gases were conditioned from 0 to 90 K above the liquid temperature. Results clearly indicate a degradation in bubble point pressure using warm gas, with a greater reduction in performance using condensable over noncondensible pressurization. Degradation in the bubble point pressure is inversely proportional to screen porosity, as the coarsest mesh demonstrated the highest degradation. Results here have implication on both pressurization and LAD system design for all future cryogenic propulsion systems. A detailed review of historical heated gas tests is also presented for comparison to current results.

  20. Replacing coal with natural gas would reduce warming

    Science.gov (United States)

    Schultz, Colin

    2012-08-01

    A debate has raged in the past couple of years as to whether natural gas is better or worse overall than coal and oil from a global warming perspective. The back-and-forth findings have been due to the timelines taken into consideration, the details of natural gas extraction, and the electricity-generating efficiency of various fuels. An analysis by Cathles, which focuses exclusively on potential warming and ignores secondary considerations, such as economic, political, or other environmental concerns, finds that natural gas is better for electricity generation than coal and oil under all realistic circumstances. To come to this conclusion, the author considered three different future fuel consumption scenarios: (1) a business-as-usual case, which sees energy generation capacity continue at its current pace with its current energy mix until the middle of the century, at which point the implementation of low-carbon energy sources dominates and fossil fuel-derived energy production declines; (2) a gas substitution scenario, where natural gas replaces all coal power production and any new oil-powered facilities, with the same midcentury shift; and (3) a low-carbon scenario, where all electricity generation is immediately and aggressively switched to non-fossil fuel sources such as solar, wind, and nuclear.

  1. Rotation of the Warm Molecular Gas Surrounding Ultracompact HII Regions

    CERN Document Server

    Klaassen, P D; Keto, E R; Zhang, Q

    2009-01-01

    We present molecular line and 1.4 mm continuum observations towards five massive star forming regions at arcsecond resolution using the Submillimeter Array (SMA). We find that the warm molecular gas surrounding each HII region (as traced by SO_2 and OCS) appears to be undergoing bulk rotation. From the molecular line emission and thermal component of the continuum emission, we independently derived gas masses for each region which are consistent with each other. From the free-free component of the continuum emission we estimate the minimum stellar mass required to power the HII region and find that this mass, when added to the derived gas mass, is a significant fraction of the dynamical mass for that region.

  2. Dynamics of warm Chaplygin gas inflationary models with quartic potential

    Energy Technology Data Exchange (ETDEWEB)

    Jawad, Abdul; Rani, Shamaila [COMSATS Institute of Information Technology, Department of Mathematics, Lahore (Pakistan); Butt, Sadaf [Lahore Leads University, Department of Mathematics, Lahore (Pakistan); Kinnaird College for Women, Department of Mathematics, Lahore (Pakistan)

    2016-05-15

    Warm inflationary universe models in the context of the generalized Chaplygin gas, the modified Chaplygin gas, and the generalized cosmic Chaplygin gas are being studied. The dissipative coefficient of the form Γ ∝ T, and the weak and the strong dissipative regimes are being considered. We use the quartic potential, (λ{sub *}φ{sup 4})/(4), which is ruled out by current data in cold inflation but in our models by analysis it is seen to be in agreement with the WMAP9 and the latest Planck data. In these scenarios, the power spectrum, the spectral index, and the tensor-to-scalar ratio are being examined in the slow-roll approximation. We show the dependence of the tensor-scalar ratio r on the spectral index n{sub s} and observe that the range of the tensor-scalar ratio is r < 0.05 in the generalized Chaplygin gas, r < 0.15 in the modified Chaplygin gas, and r < 0.12 in the generalized cosmic Chaplygin gas models. Our results are in agreement with recent observational data like WMAP9 and the latest Planck data. (orig.)

  3. Enhanced greenhouse gas emissions from the Arctic with experimental warming

    Science.gov (United States)

    Voigt, Carolina; Lamprecht, Richard E.; Marushchak, Maija E.; Lind, Saara E.; Novakovskiy, Alexander; Aurela, Mika; Martikainen, Pertti J.; Biasi, Christina

    2017-04-01

    Temperatures in the Arctic are projected to increase more rapidly than in lower latitudes. With temperature being a key factor for regulating biogeochemical processes in ecosystems, even a subtle temperature increase might promote the release of greenhouse gases (GHGs) to the atmosphere. Usually, carbon dioxide (CO2) and methane (CH4) are the GHGs dominating the climatic impact of tundra. However, bare, patterned ground features in the Arctic have recently been identified as hot spots for nitrous oxide (N2O). N2O is a potent greenhouse gas, which is almost 300 times more effective in its global warming potential than CO2; but studies on arctic N2O fluxes are rare. In this study we examined the impact of temperature increase on the seasonal GHG balance of all three important GHGs (CO2, CH4 and N2O) from three tundra surface types (vegetated peat soils, unvegetated peat soils, upland mineral soils) in the Russian Arctic (67˚ 03' N 62˚ 55' E), during the course of two growing seasons. We deployed open-top chambers (OTCs), inducing air and soil surface warming, thus mimicking predicted warming scenarios. We combined detailed CO2, CH4 and N2O flux studies with concentration measurements of these gases within the soil profile down to the active layer-permafrost interface, and complemented these GHG measurements with detailed soil nutrient (nitrate and ammonium) and dissolved organic carbon (DOC) measurements in the soil pore water profile. In our study, gentle air warming (˜1.0 ˚ C) increased the seasonal GHG release of all dominant surface types: the GHG budget of vegetated peat and mineral soils, which together cover more than 80 % of the land area in our study region, shifted from a sink to a source of -300 to 144 g CO2-eq m-2 and from -198 to 105 g CO2-eq m-2, respectively. While the positive warming response was governed by CO2, we provide here the first in situ evidence that warming increases arctic N2O emissions: Warming did not only enhance N2O emissions from

  4. Gas-phase chemical dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Weston, R.E. Jr.; Sears, T.J.; Preses, J.M. [Brookhaven National Laboratory, Upton, NY (United States)

    1993-12-01

    Research in this program is directed towards the spectroscopy of small free radicals and reactive molecules and the state-to-state dynamics of gas phase collision, energy transfer, and photodissociation phenomena. Work on several systems is summarized here.

  5. FIR line profiles as probes of warm gas dynamics

    Science.gov (United States)

    Betz, A. L.; Boreiko, R. T.

    1995-01-01

    Measurements of the shapes, velocities, and intensities of FIR lines all help to probe the dynamics, physical associations, and excitation conditions of warm gas in molecular clouds. With this in mind, we have observed the J=9-8, 12-11,14-13, and 16-15 lines of (12)CO and the 158 micron line of C II in a number of positions in 4 selected clouds. The data were obtained with a laser heterodyne spectrometer aboard NASA's Kuiper Airborne Observatory. Line measurements at 0.6 km/s resolution allow us to resolve the profiles completely, and thereby to distinguish between UV-and shock-heating mechanisms for the high-excitation gas. For CO, the high-J linewidths lie in the range of 4-20 km/s (FWHM), similar to those observed for low-J (J less than 4) transitions in these sources. This correspondence suggests that the hotter gas (T = 200-600 K) is dynamically linked to the quiescent gas component, perhaps by association with the UV-heated peripheries of the numerous cloud clumps. Much of the C II emission is thought to emanate from these cloud peripheries, but the line profiles generally do not match those seen in CO. None of the observed sources show any evidence in high-J (12)CO emission for shock-excitation (i.e., linewidths greater than 30 km/s).

  6. Warming effects on greenhouse gas fluxes in peatlands are modulated by vegetation composition.

    Science.gov (United States)

    Ward, Susan E; Ostle, Nicholas J; Oakley, Simon; Quirk, Helen; Henrys, Peter A; Bardgett, Richard D

    2013-10-01

    Understanding the effects of warming on greenhouse gas feedbacks to climate change represents a major global challenge. Most research has focused on direct effects of warming, without considering how concurrent changes in plant communities may alter such effects. Here, we combined vegetation manipulations with warming to investigate their interactive effects on greenhouse gas emissions from peatland. We found that although warming consistently increased respiration, the effect on net ecosystem CO2 exchange depended on vegetation composition. The greatest increase in CO2 sink strength after warming was when shrubs were present, and the greatest decrease when graminoids were present. CH4 was more strongly controlled by vegetation composition than by warming, with largest emissions from graminoid communities. Our results show that plant community composition is a significant modulator of greenhouse gas emissions and their response to warming, and suggest that vegetation change could alter peatland carbon sink strength under future climate change.

  7. North Atlantic warming during Dansgaard-Oeschger events synchronous with Antarctic warming and out-of-phase with Greenland climate

    Science.gov (United States)

    Rasmussen, Tine L.; Thomsen, Erik; Moros, Matthias

    2016-02-01

    The precise reason for the differences and out-of-phase relationship between the abrupt Dansgaard-Oeschger warmings in the Nordic seas and Greenland ice cores and the gradual warmings in the south-central Atlantic and Antarctic ice cores is poorly understood. Termed the bipolar seesaw, the differences are apparently linked to perturbations in the ocean circulation pattern. Here we show that surface and intermediate-depth water south of Iceland warmed gradually synchronously with the Antarctic warming and out of phase with the abrupt warming of the Nordic seas and over Greenland. The hinge line between areas showing abrupt and gradual warming was close to the Greenland-Scotland Ridge and the marine system appears to be a ‘push-and-pull’ system rather than a seesaw system. ‘Pull’ during the warm interstadials, when convection in the Nordic seas was active; ‘push’ during the cold stadials, when convection stopped and warm water from the south-central Atlantic pushed northward gradually warming the North Atlantic and Nordic seas.

  8. XMM-Newton discovery of O VII emission from warm gas in clusters of galaxies

    CERN Document Server

    Kaastra, J S; Tamura, T; Paerels, F B S; Den Herder, J W A

    2003-01-01

    XMM-Newton recently discovered O VII line emission from ~2 million K gas near the outer parts of several clusters of galaxies. This emission is attributed to the Warm-Hot Intergalactic Medium. The original sample of clusters studied for this purpose has been extended and two more clusters with a soft X-ray excess have been found. We discuss the physical properties of the warm gas, in particular the density, spatial extent, abundances and temperature.

  9. Seepage from an arctic shallow marine gas hydrate reservoir is insensitive to momentary ocean warming

    Science.gov (United States)

    Hong, Wei-Li; Torres, Marta E.; Carroll, Jolynn; Crémière, Antoine; Panieri, Giuliana; Yao, Haoyi; Serov, Pavel

    2017-06-01

    Arctic gas hydrate reservoirs located in shallow water and proximal to the sediment-water interface are thought to be sensitive to bottom water warming that may trigger gas hydrate dissociation and the release of methane. Here, we evaluate bottom water temperature as a potential driver for hydrate dissociation and methane release from a recently discovered, gas-hydrate-bearing system south of Spitsbergen (Storfjordrenna, ~380 m water depth). Modelling of the non-steady-state porewater profiles and observations of distinct layers of methane-derived authigenic carbonate nodules in the sediments indicate centurial to millennial methane emissions in the region. Results of temperature modelling suggest limited impact of short-term warming on gas hydrates deeper than a few metres in the sediments. We conclude that the ongoing and past methane emission episodes at the investigated sites are likely due to the episodic ventilation of deep reservoirs rather than warming-induced gas hydrate dissociation in this shallow water seep site.

  10. Detection of two intervening Ne viii absorbers probing warm gas at z ˜ 0.6

    Science.gov (United States)

    Pachat, Sachin; Narayanan, Anand; Khaire, Vikram; Savage, Blair D.; Muzahid, Sowgat; Wakker, Bart P.

    2017-10-01

    We report on the detection of two Ne viii absorbers, at z = 0.619 07 and 0.570 52 in the Hubble Space Telescope/Cosmic Origins Spectrograph spectrum of background quasars SDSS J080908.13 + 461925.6 and SBS 1122 + 594, respectively. The Ne viii 770 line is at ∼3σ significance. In both instances, the Ne viii is found to be tracing gas with T ≳ 105 K, predominantly collisionally ionized, with moderate densities of n_{H} ≲ 10^{-4} cm-3, sub-solar metallicities and total hydrogen column densities of N(H) ≳ 1019 cm-2. In the z = 0.619 07 absorber, the low, intermediate ions and O vi are consistent with origin in photoionized gas, with the O vi potentially having some contribution from the warm collisional phase traced by Ne viii. The z = 0.570 52 system has H I absorption in at least three kinematically distinct components, with one of them having b({H I}) = 49 {± } 11 km s-1. The intermediate-ionization lines, O vi and Ne viii, are coincident in velocity with this component. Their different line widths suggest warm temperatures of T = (0.5-1.5) × 105 K. Both absorbers are residing in regions where there are several luminous (≳L★) galaxies. The absorber at z = 0.570 52 is within the virial radius of a 2.6L★ galaxy, possibly associated with shock-heated circumgalactic material.

  11. The simulation of gas production from oceanic gas hydrate reservoir by the combination of ocean surface warm water flooding with depressurization

    Institute of Scientific and Technical Information of China (English)

    Hao Yang; Yu-Hu Bai; Qing-Ping Li

    2012-01-01

    A new method is proposed to produce gas from oceanic gas hydrate reservoir by combining the ocean surface warm water flooding with depressurization which can efficiently utilize the synthetic effects of thermal,salt and depressurization on gas hydrate dissociation.The method has the advantage of high efficiency,low cost and enhanced safety.Based on the proposed conceptual method,the physical and mathematical models are established,in which the effects of the flow of multiphase fluid,the kinetic process of hydrate dissociation,the endothermic process of hydrate dissociation,ice-water phase equilibrium,salt inhibition,dispersion,convection and conduction on the hydrate dissociation and gas and water production are considered.The gas and water rates,formation pressure for the combination method are compared with that of the single depressurization,which is referred to the method in which only depressurization is used.The results show that the combination method can remedy the deficiency of individual producing methods.It has the advantage of longer stable period of high gas rate than the single depressurization.It can also reduce the geologic hazard caused by the formation deformation due to the maintaining of the formation pressure by injected ocean warm water.

  12. Overestimating climate warming-induced methane gas escape from the seafloor by neglecting multiphase flow dynamics

    Science.gov (United States)

    Stranne, C.; O'Regan, M.; Jakobsson, M.

    2016-08-01

    Continental margins host large quantities of methane stored partly as hydrates in sediments. Release of methane through hydrate dissociation is implicated as a possible feedback mechanism to climate change. Large-scale estimates of future warming-induced methane release are commonly based on a hydrate stability approach that omits dynamic processes. Here we use the multiphase flow model TOUGH + hydrate (T + H) to quantitatively investigate how dynamic processes affect dissociation rates and methane release. The simulations involve shallow, 20-100 m thick hydrate deposits, forced by a bottom water temperature increase of 0.03°C yr-1 over 100 years. We show that on a centennial time scale, the hydrate stability approach can overestimate gas escape quantities by orders of magnitude. Our results indicate a time lag of > 40 years between the onset of warming and gas escape, meaning that recent climate warming may soon be manifested as widespread gas seepages along the world's continental margins.

  13. Offsetting global warming-induced elevated greenhouse gas emissions from an arable soil by biochar application.

    Science.gov (United States)

    Bamminger, Chris; Poll, Christian; Marhan, Sven

    2017-08-17

    Global warming will likely enhance greenhouse gas (GHG) emissions from soils. Due to its slow decomposability, biochar is widely recognized as effective in long-term soil carbon (C) sequestration and in mitigation of soil GHG emissions. In a long-term soil warming experiment (+2.5 °C, since July 2008) we studied the effect of applying high-temperature Miscanthus biochar (0, 30 t/ha, since August 2013) on GHG emissions and their global warming potential (GWP) during 2 years in a temperate agroecosystem. Crop growth, physical and chemical soil properties, temperature sensitivity of soil respiration (Rs ), and metabolic quotient (qCO2 ) were investigated to yield further information about single effects of soil warming and biochar as well as on their interactions. Soil warming increased total CO2 emissions by 28% over 2 years. The effect of warming on soil respiration did not level off as has often been observed in less intensively managed ecosystems. However, the temperature sensitivity of soil respiration was not affected by warming. Overall, biochar had no effect on most of the measured parameters, suggesting its high degradation stability and its low influence on microbial C cycling even under elevated soil temperatures. In contrast, biochar × warming interactions led to higher total N2 O emissions, possibly due to accelerated N-cycling at elevated soil temperature and to biochar-induced changes in soil properties and environmental conditions. Methane uptake was not affected by soil warming or biochar. The incorporation of biochar-C into soil was estimated to offset warming-induced elevated GHG emissions for 25 years. Our results highlight the suitability of biochar for C sequestration in cultivated temperate agricultural soil under a future elevated temperature. However, the increased N2 O emissions under warming limit the GHG mitigation potential of biochar. © 2017 John Wiley & Sons Ltd.

  14. WARM GAS IN THE VIRGO CLUSTER. I. DISTRIBUTION OF Ly{alpha} ABSORBERS

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Joo Heon; Putman, Mary E.; Bryan, Greg L. [Department of Astronomy, Columbia University, New York, NY 10027 (United States); Thom, Christopher [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21211 (United States); Chen, Hsiao-Wen, E-mail: jhyoon@astro.columbia.edu [Department of Astronomy and Astrophysics and Kavli Institute for Cosmological Physics, University of Chicago, Chicago, IL 60637 (United States)

    2012-08-01

    The first systematic study of the warm gas (T = 10{sup 4-5} K) distribution across a galaxy cluster is presented using multiple background QSOs in and around the Virgo Cluster. We detect 25 Ly{alpha} absorbers (N{sub HI} = 10{sup 13.1-15.4} cm{sup -2}) in the Virgo velocity range toward 9 of 12 QSO sightlines observed with the Cosmic Origin Spectrograph, with a cluster impact parameter range of 0.36-1.65 Mpc (0.23-1.05 R{sub vir}). Including 18 Ly{alpha} absorbers previously detected by STIS or GHRS toward 7 of 11 background QSOs in and around the Virgo Cluster, we establish a sample of 43 absorbers toward a total of 23 background probes for studying the incidence of Ly{alpha} absorbers in and around the Virgo Cluster. With these absorbers, we find (1) warm gas is predominantly in the outskirts of the cluster and avoids the X-ray-detected hot intracluster medium (ICM). Also, Ly{alpha} absorption strength increases with cluster impact parameter. (2) Ly{alpha}-absorbing warm gas traces cold H I-emitting gas in the substructures of the Virgo Cluster. (3) Including the absorbers associated with the surrounding substructures, the warm gas covering fraction (100% for N{sub HI} > 10{sup 13.1} cm{sup -2}) is in agreement with cosmological simulations. We speculate that the observed warm gas is part of large-scale gas flows feeding the cluster both in the ICM and galaxies.

  15. Glitters of warm H2 in cold diffuse molecular gas

    NARCIS (Netherlands)

    Falgarone, Edith; Beichman, Chaz; Boulanger, Francois; Combes, Francoise; Gry, Cecile; Helou, Georges; Laureijs, Rene; Pineau Des Forets, Guillaume; Valentijn, Edwin; Verstraete, Laurent

    2004-01-01

    Cold molecular hydrogen, a possibly dominant gas fraction in galaxies, does not radiate due to the symmetry and small moment of inertia of the molecule. The only tracers of cold H2, the rotational lines of CO and dust thermal emission operate only in metal-rich environments. By detecting the lowest

  16. Net global warming potential and greenhouse gas intensity affected by cropping sequence and nitrogen fertilization

    Science.gov (United States)

    Little information is available about management practice effects on the net global warming potential (GWP) and greenhouse gas intensity (GHGI) under dryland cropping systems. We evaluated the effects of cropping sequences (conventional-tillage malt barley [Hordeum vulgaris L.]–fallow [CTB-F], no-ti...

  17. Atmospheric Chemistry of 1H-Heptafluorocyclopentene (cyc-CF2CF2CF2CF═CH-): Rate Constant, Products, and Mechanism of Gas-Phase Reactions with OH Radicals, IR Absorption Spectrum, Photochemical Ozone Creation Potential, and Global Warming Potential.

    Science.gov (United States)

    Liu, Dongpeng; Qin, Sheng; Li, Wei; Zhang, Di; Guo, Zhikai

    2016-12-08

    The rate constant for gas-phase reactions of OH radicals with 1H-heptafluorocyclopentene (cyc-CF2CF2CF2CF═CH-) was measured using a relative rate method at 298 K: (5.20 ± 0.09) × 10(-14) cm(3) molecule(-1) s(-1). The quoted uncertainty includes two standard deviations from the least-squares regression, the systematic error from the GC analysis, and the uncertainties of the rate constants of the reference compounds. The OH-radical-initiated oxidation of cyc-CF2CF2CF2CF═CH- gives the main products COF2, CO, and CO2, leading to negligible environmental impact. For consumptions of cyc-CF2CF2CF2CF═CH- of less than 54%, the yield of the formation of ([COF2] + [CO] + [CO2])/5 (based on the conservation of carbon) was 0.99 ± 0.02, which is very close to 100%. A possible degradation mechanism was proposed. The radiative efficiency (RE) of cyc-CF2CF2CF2CF═CH- measured at room temperature was 0.215 W m(-2) ppb(-1). The atmospheric lifetime of cyc-CF2CF2CF2CF═CH- was calculated as 0.61 year, and the photochemical ozone creation potential (POCP) was negligible. The 20-, 100-, and 500-year time horizon global warming potentials (GWPs) were estimated as 153, 42, and 12, respectively.

  18. Warm Gas in and Around Simulated Galaxy Clusters as Probed by Absorption Lines

    CERN Document Server

    Emerick, Andrew; Putman, Mary E

    2015-01-01

    Understanding gas flows into and out of the most massive dark matter structures in our Universe, galaxy clusters, is fundamental to understanding their evolution. Gas in clusters is well studied in the hot ($>$ 10$^{6}$ K) and cold ($<$ 10$^{4}$ K) regimes, but the warm gas component (10$^{4}$ - 10$^{6}$ K) is poorly constrained. It is challenging to observe directly, but can be probed through Ly$\\alpha$ absorption studies. We produce the first systematic study of the warm gas content of galaxy clusters through synthetic Ly$\\alpha$ absorption studies using cosmological simulations of two galaxy clusters produced with Enzo. We explore the spatial and kinematic properties of our cluster absorbers, and show that the majority of the identified absorbers are due to fast moving gas associated with cluster infall from IGM filaments. Towards the center of the clusters, however, the warm IGM filaments are no longer dominant and the absorbers tend to have higher column densities and metallicities, representing strip...

  19. Condensed phase decomposition and gas phase combustion of hydrazinium nitroformate

    NARCIS (Netherlands)

    Dragomir, O.E.; Tummers, M.J.; Veen, E.H. van; Heijden, A.E.D.M. van der; Roekaerts, D.J.E.M.

    2009-01-01

    This paper presents the results of a series of experiments on the condensed phase decomposition and the gas phase combustion of hydrazinium nitroformate (HNF). The experiments include SEM analysis of quenched samples that showed evidence of the formation of a foam layer. FTIR spectrometry and mass s

  20. Warm intermediate inflationary Universe model in the presence of a generalized Chaplygin gas

    Energy Technology Data Exchange (ETDEWEB)

    Herrera, Ramon [Pontificia Universidad Catolica de Valparaiso, Instituto de Fisica, Valparaiso (Chile); Videla, Nelson [Universidad de Chile, Departamento de Fisica, FCFM, Santiago (Chile); Olivares, Marco [Universidad Diego Portales, Facultad de Ingenieria, Santiago (Chile)

    2016-01-15

    A warm intermediate inflationary model in the context of generalized Chaplygin gas is investigated. We study this model in the weak and strong dissipative regimes, considering a generalized form of the dissipative coefficient Γ = Γ(T,φ), and we describe the inflationary dynamics in the slow-roll approximation. We find constraints on the parameters in our model considering the Planck 2015 data, together with the condition for warm inflation T > H, and the conditions for the weak and strong dissipative regimes. (orig.)

  1. Herschel SPIRE-FTS Observations of Excited CO and [CI] in the Antennae (NGC 4038/39): Warm and Cold Molecular Gas

    CERN Document Server

    Schirm, Maximilien R P; Parkin, Tara J; Kamenetzky, Julia; Glenn, Jason; Rangwala, Naseem; Spinoglio, Luigi; Pereira-Santaella, Miguel; Baes, Maarten; Barlow, Michael J; Clements, Dave L; Cooray, Asantha; De Looze, Ilse; Karczewski, Oskar Ł; Madden, Suzanne C; Rémy-Ruyer, Aurélie; Wu, Ronin

    2013-01-01

    We present Herschel SPIRE-FTS observations of the Antennae (NGC 4038/39), a well studied, nearby ($22$ Mpc) ongoing merger between two gas rich spiral galaxies. We detect 5 CO transitions ($J=4-3$ to $J=8-7$), both [CI] transitions and the [NII]$205\\mu m$ transition across the entire system, which we supplement with ground based observations of the CO $J=1-0$, $J=2-1$ and $J=3-2$ transitions, and Herschel PACS observations of [CII] and [OI]$63\\mu m$. Using the CO and [CI] transitions, we perform both a LTE analysis of [CI], and a non-LTE radiative transfer analysis of CO and [CI] using the radiative transfer code RADEX along with a Bayesian likelihood analysis. We find that there are two components to the molecular gas: a cold ($T_{kin}\\sim 10-30$ K) and a warm ($T_{kin} \\gtrsim 100$ K) component. By comparing the warm gas mass to previously observed values, we determine a CO abundance in the warm gas of $x_{CO} \\sim 5\\times 10^{-5}$. If the CO abundance is the same in the warm and cold gas phases, this abund...

  2. Warm Gas in the Virgo Cluster: I. Distribution of Lya Absorbers

    CERN Document Server

    Yoon, Joo Heon; Thom, Christopher; Chen, Hsiao-Wen; Bryan, Greg

    2012-01-01

    The first systematic study of the warm gas (T=10^4-5 K) distribution across a galaxy cluster is presented using multiple background QSOs to the Virgo Cluster. We detect 25 Lya absorbers (N_HI = 10^13.1-15.4 cm^-2) in the Virgo velocity range toward 9 of 12 QSO sightlines observed with COS, with a cluster impact parameter range of 0.25-1.15 Mpc (0.23-1.05Rvir). Including 18 previously STIS or GHRS detected Lya absorbers toward 7 of 11 background QSOs in and around the Virgo Cluster, we establish a sample of 43 absorbers towards a total of 23 background probes for studying the incidence of Lya absorbers in and around the Virgo Cluster. With these absorbers, we find: 1) Warm gas is predominantly in the outskirts of the cluster and avoids the X-ray detected hot ICM. Also, Lya absorption strength increases with a cluster impact parameter. 2) Lya absorbing warm gas traces cold HI emitting gas in the substructures of the Virgo Cluster. 3) Including the absorbers associated with the surrounding substructures, the war...

  3. Spin-resolved correlations in the warm-dense homogeneous electron gas

    Science.gov (United States)

    Arora, Priya; Kumar, Krishan; Moudgil, R. K.

    2017-04-01

    We have studied spin-resolved correlations in the warm-dense homogeneous electron gas by determining the linear density and spin-density response functions, within the dynamical self-consistent mean-field theory of Singwi et al. The calculated spin-resolved pair-correlation function gσσ'(r) is compared with the recent restricted path-integral Monte Carlo (RPIMC) simulations due to Brown et al. [Phys. Rev. Lett. 110, 146405 (2013)], while interaction energy Eint and exchange-correlation free energy Fxc with the RPIMC and very recent ab initio quantum Monte Carlo (QMC) simulations by Dornheim et al. [Phys. Rev. Lett. 117, 156403 (2016)]. g↑↓(r) is found to be in good agreement with the RPIMC data, while a mismatch is seen in g↑↑(r) at small r where it becomes somewhat negative. As an interesting result, it is deduced that a non-monotonic T-dependence of g(0) is driven primarily by g↑↓(0). Our results of Eint and Fxc exhibit an excellent agreement with the QMC study due to Dornheim et al., which deals with the finite-size correction quite accurately. We observe, however, a visible deviation of Eint from the RPIMC data for high densities ( 8% at rs = 1). Further, we have extended our study to the fully spin-polarized phase. Again, with the exception of high density region, we find a good agreement of Eint with the RPIMC data. This points to the need of settling the problem of finite-size correction in the spin-polarized phase also. Interestingly, we also find that the thermal effects tend to oppose spatial localization as well as spin polarization of electrons. Supplementary material in the form of one zip file available from the Journal web page at http://https://doi.org/10.1140/epjb/e2017-70532-y

  4. Increasing insolation and greenhouse gas concentration trigger Bølling-Allerød warming

    Science.gov (United States)

    Obase, Takashi; Abe-Ouchi, Ayako

    2017-04-01

    During the last deglaciation, a major global warming was punctuated by several abrupt climate changes, likely related to Atlantic Meridional Overturning Curculation (AMOC) (Clark et al. 2012). Transient deglaciation experiments from the Last Glacial Maximum have been conducted by applying time-dependent insolation, greenhouse gas concentrations, and glacial meltwater forcing (Liu et al. 2009). They have showed that reduction in glacial meltwater discharge rate into North Atlantic induces abrupt recovery of AMOC, warming of Greenland and cooling of Antarctica (bipolar response) during the period of Bølling-Allerød (BA, 14.6 ka). We conduct a transient simulation from the Last Glacial Maximum to BA using an atmosphere-ocean coupled general circulation model (AOGCM) MIROC 4m (an IPCC-class Japanese community model). The model is initialized with the 21ka, and we change insolation, greenhouse gas concentrations and meltwater fluxes following the protocol of PMIP4 (Ivanovic et al. 2016). Glacial meltwater is derived from ice sheet reconstruction (ICE6g, Peltier et al. 2015). We assume the glacial meltwater due to ice sheet loss is uniformly applied to the area of 50-70N North Atlantic Ocean. We conduct additional experiments branched from 16 ka, where 50-80% of ICE6g meltwater fluxes are applied without reducing the meltwater fluxes before the BA. The model results show that abrupt resumption of AMOC and warming of Greenland occurred at around the period of BA even under hosing of 0.06 Sv. Transition from cold stadial mode to warm interstadial mode occurs in about 100 years, which is consistent with reconstructions (Buizert et al. 2014). The result implies that increasing summer insolation and greenhouse gas concentration trigger abrupt AMOC recovery and warming in the Northern Hemisphere, and large fluctuation of meltwater due to ice sheet melting may not be necessary.

  5. How do changes in warm-phase microphysics affect deep convective clouds?

    OpenAIRE

    Chen, Qian; Koren, Ilan; Altaratz, Orit; Heiblum, Reuven H.; Dagan, Guy; Pinto, Lital

    2016-01-01

    Understanding aerosol effects on deep convective clouds and the derived effects on the radiation budget and rain patterns can largely contribute to estimations of climate uncertainties. The challenge is difficult in part because key microphysical processes in the mixed and cold phases are still not well understood. For deep convective clouds with a warm base, understanding aerosol effects on the warm processes is extremely important as they set the initial and boundary conditions for the cold...

  6. Development and Evaluation of Nanoscale Sorbents for Mercury Capture from Warm Fuel Gas

    Energy Technology Data Exchange (ETDEWEB)

    Raja A. Jadhav

    2006-05-31

    Several different types of nanocrystalline metal oxide sorbents were synthesized and evaluated for capture of mercury (Hg) from coal-gasifier warm fuel gas. Detailed experimental studies were carried out to understand the fundamental mechanism of interaction between mercury and nanocrystalline sorbents over a range of fuel gas conditions. The metal oxide sorbents evaluated in this work included those prepared by GTI's subcontractor NanoScale Materials, Inc. (NanoScale) as well as those prepared in-house. These sorbents were evaluated for mercury capture in GTI's Mercury Sorbent Testing System. Initial experiments were focused on sorbent evaluation for mercury capture in N{sub 2} stream over the temperature range 423-533 K. These exploratory studies demonstrated that NanoActive Cr{sub 2}O{sub 3} along with its supported form was the most active of the sorbent evaluated. The capture of Hg decreased with temperature, which suggested that physical adsorption was the dominant mechanism of Hg capture. Desorption studies on spent sorbents indicated that a major portion of Hg was attached to the sorbent by strong bonds, which suggested that Hg was oxidized by the O atoms of the metal oxides, thus forming a strong Hg-O bond with the oxide. Initial screening studies also indicated that sulfided form of CuO/alumina was the most active for Hg capture, therefore was selected for detailed evaluation in simulated fuel gas (SFG). It was found that such supported CuO sorbents had high Hg-sorption capacity in the presence of H{sub 2}, provided the gas also contained H{sub 2}S. Exposure of supported CuO sorbent to H{sub 2}S results in the formation of CuS, which is an active sorbent for Hg capture. Sulfur atom in CuS forms a bond with Hg that results into its capture. Although thermodynamically CuS is predicted to form unreactive Cu{sub 2}S form when exposed to H{sub 2}, it is hypothesized that Cu atoms in such supported sorbents are in &apos

  7. Ab Initio Quantum Monte Carlo Simulation of the Warm Dense Electron Gas in the Thermodynamic Limit

    Science.gov (United States)

    Dornheim, Tobias; Groth, Simon; Sjostrom, Travis; Malone, Fionn D.; Foulkes, W. M. C.; Bonitz, Michael

    2016-10-01

    We perform ab initio quantum Monte Carlo (QMC) simulations of the warm dense uniform electron gas in the thermodynamic limit. By combining QMC data with the linear response theory, we are able to remove finite-size errors from the potential energy over the substantial parts of the warm dense regime, overcoming the deficiencies of the existing finite-size corrections by Brown et al. [Phys. Rev. Lett. 110, 146405 (2013)]. Extensive new QMC results for up to N =1000 electrons enable us to compute the potential energy V and the exchange-correlation free energy Fxc of the macroscopic electron gas with an unprecedented accuracy of |Δ V |/|V |,|Δ Fxc|/|F |xc˜10-3 . A comparison of our new data to the recent parametrization of Fxc by Karasiev et al. [Phys. Rev. Lett. 112, 076403 (2014)] reveals significant deviations to the latter.

  8. 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.

  9. Liquid gas phase transition in hypernuclei

    CERN Document Server

    Mallik, S

    2016-01-01

    The fragmentation of excited hypernuclear system formed in heavy ion collisions has been described by the canonical thermodynamical model extended to three component systems. The multiplicity distribution of the fragments has been analyzed in detail and it has been observed that the hyperons have the tendency to get attached to the heavier fragments. Another important observation is the phase coexistence of the hyperons, a phenomenon which is linked to liquid gas phase transition in strange matter.

  10. Flourescence from Gas-Phase Biomolecular Ions

    DEFF Research Database (Denmark)

    2013-01-01

    difficulties, of fluorescence spectroscopy compared to absorption spectroscopy are discussed. Extensive work has been done on the isolated dyes in characterising them with respect to their dispersed fluorescence spectra, excited-state lifetimes, and gas-phase Stokes shifts. After a brief introduction, results...

  11. Continuous-Flow Gas-Phase Bioreactors

    Science.gov (United States)

    Wise, Donald L.; Trantolo, Debra J.

    1994-01-01

    Continuous-flow gas-phase bioreactors proposed for biochemical, food-processing, and related industries. Reactor contains one or more selected enzymes dehydrated or otherwise immobilized on solid carrier. Selected reactant gases fed into reactor, wherein chemical reactions catalyzed by enzyme(s) yield product biochemicals. Concept based on discovery that enzymes not necessarily placed in traditional aqueous environments to function as biocatalysts.

  12. Thermal stability of gas phase magnesium nanoparticles

    NARCIS (Netherlands)

    Krishnan, Gopi; Kooi, Bart J.; Palasantzas, George; Pivak, Yevheniy; Dam, Bernard

    2010-01-01

    In this work we present a unique transmission electron microscopy study of the thermal stability of gas phase synthesized Mg nanoparticles, which have attracted strong interest as high capacity hydrogen storage materials. Indeed, Mg nanoparticles with a MgO shell (similar to 3 nm thick) annealed at

  13. Thermal stability of gas phase magnesium nanoparticles

    NARCIS (Netherlands)

    Krishnan, G.; Kooi, B.J.; Palasantzas, G.; Pivak, Y.; Dam, B.

    2010-01-01

    In this work we present a unique transmission electron microscopy study of the thermal stability of gas phase synthesized Mg nanoparticles, which have attracted strong interest as high capacity hydrogen storage materials. Indeed, Mg nanoparticles with a MgO shell ( ∼ 3 nm thick) annealed at 300 °C

  14. Thermal stability of gas phase magnesium nanoparticles

    NARCIS (Netherlands)

    Krishnan, G.; Kooi, B.J.; Palasantzas, G.; Pivak, Y.; Dam, B.

    2010-01-01

    In this work we present a unique transmission electron microscopy study of the thermal stability of gas phase synthesized Mg nanoparticles, which have attracted strong interest as high capacity hydrogen storage materials. Indeed, Mg nanoparticles with a MgO shell ( ∼ 3 nm thick) annealed at 300 °C s

  15. Gas-Phase Infrared; JCAMP Format

    Science.gov (United States)

    SRD 35 NIST/EPA Gas-Phase Infrared; JCAMP Format (PC database for purchase)   This data collection contains 5,228 infrared spectra in the JCAMP-DX (Joint Committee for Atomic and Molecular Physical Data "Data Exchange") format.

  16. The warming effect of the flare of natural gas on soil biological activity

    Science.gov (United States)

    Yevdokimov, Ilya; Yusupov, Irek; Shavnin, Sergey

    2017-04-01

    Simulation of global warming is one of the key issues of international efforts to study climatic changes. A number of manipulation experiments with soil warming have been established throughout the world in the last decades. We used warming with natural gas flare near the pine forest as a kind of manipulation experiment to assess the synergistic effect of drying and warming on plant-soil-microbial interactions. The experimental area is situated in a pine forest subzone of the forest zone of the Western Siberia near Pokachi, Yugra (61o73'N, 75o49'E). The experimental plots were established in a young Scotch pine forest on sandy podzolic soil at three distances of 70, 90 and 130 m from the flare of natural gas, with trees exposed to strong (S) moderate (M), and weak (W) impact, respectively. Increase of soil temperature in summer time were moderate: on average 0.7oC and 1.3oC for the plots M and S, respectively, compared to the plot W. The plot S demonstrated increase in CO2 efflux from the soil surface, mainly due to intensifying plant root respiration, by 18% compared to the plot W as well as increase in SOM content by 31%, with intensive accumulation of recalcitrant humus. By contrast, microbial biomass, labile SOM pool and basal respiration were higher in soil with weak flaring impact by 74%, 33% and 24%, respectively. Thus, three trends in plant-soil-microbe system exposed to warming and drying were revealed: i) SOM accumulation, ii) suppression of microbial activity, and iii) stimulation of root respiration. The research was supported by the Russian Science Foundation and Russian Foundation for Basic Researches.

  17. Greenhouse-gas emission targets for limiting global warming to 2 degrees C.

    Science.gov (United States)

    Meinshausen, Malte; Meinshausen, Nicolai; Hare, William; Raper, Sarah C B; Frieler, Katja; Knutti, Reto; Frame, David J; Allen, Myles R

    2009-04-30

    More than 100 countries have adopted a global warming limit of 2 degrees C or below (relative to pre-industrial levels) as a guiding principle for mitigation efforts to reduce climate change risks, impacts and damages. However, the greenhouse gas (GHG) emissions corresponding to a specified maximum warming are poorly known owing to uncertainties in the carbon cycle and the climate response. Here we provide a comprehensive probabilistic analysis aimed at quantifying GHG emission budgets for the 2000-50 period that would limit warming throughout the twenty-first century to below 2 degrees C, based on a combination of published distributions of climate system properties and observational constraints. We show that, for the chosen class of emission scenarios, both cumulative emissions up to 2050 and emission levels in 2050 are robust indicators of the probability that twenty-first century warming will not exceed 2 degrees C relative to pre-industrial temperatures. Limiting cumulative CO(2) emissions over 2000-50 to 1,000 Gt CO(2) yields a 25% probability of warming exceeding 2 degrees C-and a limit of 1,440 Gt CO(2) yields a 50% probability-given a representative estimate of the distribution of climate system properties. As known 2000-06 CO(2) emissions were approximately 234 Gt CO(2), less than half the proven economically recoverable oil, gas and coal reserves can still be emitted up to 2050 to achieve such a goal. Recent G8 Communiqués envisage halved global GHG emissions by 2050, for which we estimate a 12-45% probability of exceeding 2 degrees C-assuming 1990 as emission base year and a range of published climate sensitivity distributions. Emissions levels in 2020 are a less robust indicator, but for the scenarios considered, the probability of exceeding 2 degrees C rises to 53-87% if global GHG emissions are still more than 25% above 2000 levels in 2020.

  18. GAS ACCRETION IS DOMINATED BY WARM IONIZED GAS IN MILKY WAY MASS GALAXIES AT z {approx} 0

    Energy Technology Data Exchange (ETDEWEB)

    Joung, M. Ryan; Putman, Mary E.; Bryan, Greg L.; Fernandez, Ximena; Peek, J. E. G., E-mail: moo@astro.columbia.edu [Department of Astronomy, Columbia University, 550 West 120th Street, New York, NY 10027 (United States)

    2012-11-10

    We perform high-resolution hydrodynamic simulations of a Milky Way mass galaxy in a fully cosmological setting using the adaptive mesh refinement code, Enzo, and study the kinematics of gas in the simulated galactic halo. We find that the gas inflow occurs mostly along filamentary structures in the halo. The warm-hot (10{sup 5} K 10{sup 6} K) ionized gases are found to dominate the overall mass accretion in the system (with M-dot = 3-5 M {sub Sun} yr{sup -1}) over a large range of distances, extending from the virial radius to the vicinity of the disk. Most of the inflowing gas (by mass) does not cool, and the small fraction that manages to cool does so primarily close to the galaxy (R {approx}< 100 kpc, with more pronounced cooling at smaller R), perhaps comprising the neutral gas that may be detectable as, e.g., high-velocity clouds. The neutral clouds are embedded within larger, accreting filamentary flows, and represent only a small fraction of the total mass inflow rate. The inflowing gas has relatively low metallicity (Z/Z {sub Sun} < 0.2). The outer layers of the filamentary inflows are heated due to compression as they approach the disk. In addition to the inflow, we find high-velocity, metal-enriched outflows of hot gas driven by supernova feedback. Our results are consistent with observations of halo gas at low z.

  19. Comparing gas-phase and grain-catalyzed H2 formation

    CERN Document Server

    Glover, S C O

    2003-01-01

    Because H2 formation on dust grain surfaces completely dominates gas-phase H2 formation in local molecular clouds, it is often assumed that gas-phase formation is never important. In fact, it is the dominant mechanism in a number of cases. In this paper, I briefly summarize the chemistry of gas-phase H2 formation, and show that it dominates for dust-to-gas ratios less than a critical value D_cr. I also show that D_cr is simple to calculate for any given astrophysical situation, and illustrate this with a number of examples, ranging from H2 formation in warm atomic gas in the Milky Way to the formation of protogalaxies at high redshift.

  20. Uncertainties in the attribution of greenhouse gas warming and implications for climate prediction

    CERN Document Server

    Jones, Gareth S; Mitchell, John F B

    2016-01-01

    Using optimal detection techniques with climate model simulations, most of the observed increase of near surface temperatures over the second half of the twentieth century is attributed to anthropogenic influences. However, the partitioning of the anthropogenic influence to individual factors, such as greenhouse gases and aerosols, is much less robust. Differences in how forcing factors are applied, in their radiative influence and in models' climate sensitivities, substantially influence the response patterns. We find standard optimal detection methodologies cannot fully reconcile this response diversity. By selecting a set of experiments to enable the diagnosing of greenhouse gases and the combined influence of other anthropogenic and natural factors, we find robust detections of well mixed greenhouse gases across a large ensemble of models. Of the observed warming over the 20th century of 0.65K/century we find, using a multi model mean not incorporating pattern uncertainty, a well mixed greenhouse gas warm...

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

    Science.gov (United States)

    Qazi, H. I. A.; Nie, Qiu-Yue; Li, He-Ping; Zhang, Xiao-Fei; Bao, Cheng-Yu

    2015-12-01

    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.

  2. 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.

  3. Gas-Phase Reactivity of Microsolvated Anions

    DEFF Research Database (Denmark)

    Thomsen, Ditte Linde

    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...... intrinsic factors and solvent effects is the enhanced reactivity of α-nucleophiles – nucleophiles with a lone-pair adjacent to the attacking site – referred to as the α-effect. This thesis concerns the reactivity of microsolvated anions and in particular how the presence of a single solvent molecule affects...... 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...

  4. Receptors useful for gas phase chemical sensing

    Energy Technology Data Exchange (ETDEWEB)

    Jaworski, Justyn W; Lee, Seung-Wuk; Majumdar, Arunava; Raorane, Digvijay A

    2015-02-17

    The invention provides for a receptor, capable of binding to a target molecule, linked to a hygroscopic polymer or hydrogel; and the use of this receptor in a device for detecting the target molecule in a gaseous and/or liquid phase. The invention also provides for a method for detecting the presence of a target molecule in the gas phase using the device. In particular, the receptor can be a peptide capable of binding a 2,4,6-trinitrotoluene (TNT) or 2,4,-dinitrotoluene (DNT).

  5. Sorption Mechanisms for Mercury Capture in Warm Post-Gasification Gas Clean-Up Systems

    Energy Technology Data Exchange (ETDEWEB)

    Jost Wendt; Sung Jun Lee; Paul Blowers

    2008-09-30

    The research was directed towards a sorbent injection/particle removal process where a sorbent may be injected upstream of the warm gas cleanup system to scavenge Hg and other trace metals, and removed (with the metals) within the warm gas cleanup process. The specific objectives of this project were to understand and quantify, through fundamentally based models, mechanisms of interaction between mercury vapor compounds and novel paper waste derived (kaolinite + calcium based) sorbents (currently marketed under the trade name MinPlus). The portion of the research described first is the experimental portion, in which sorbent effectiveness to scavenge metallic mercury (Hg{sup 0}) at high temperatures (>600 C) is determined as a function of temperature, sorbent loading, gas composition, and other important parameters. Levels of Hg{sup 0} investigated were in an industrially relevant range ({approx} 25 {micro}g/m{sup 3}) although contaminants were contained in synthetic gases and not in actual flue gases. A later section of this report contains the results of the complementary computational results.

  6. Landslides as a Delayed Signal of Warm Phase of ENSO in the Aconcagua Park (32 Sl)

    Science.gov (United States)

    Moreiras, S.; Lisboa, M.

    2013-05-01

    The Aconcagua mount (6,929 m asl), the top of the Andes, is characterised by high elevations and abrupt topography that seem to have favoured the occurrence of landslides affecting 25% of the Aconcagua Park (Fig 1). Concerning to triggering mechanism, rainfall are mentioned as the main cause of landslides in historical sources; but this assertion could not be confirmed on the basis of available meteorological data beginning after 1940. The most reliable rainfall threshold value corresponds to a 19 mm (daily precipitation) representing 8.7% of the annual precipitation and 8% of the mean annual precipitation for this region. However, main cause of landslides is related to terrain saturation by snow melting and ice thawing of ice-core moraines or rock glaciers during the warm season (November - February). A delayed link between warm phases of ENSO and slope instability could be established by a relationship found between landslides and local river stream flow (Fig. 2). The typical warm phase of ENSO begins in November of one year, increasing during July—August, and ends in February of the following year. Greater snowfall and positive glacier balance has been linked to the ENSO-warm phase. Consequently, increased stream flows of Andean rivers will be measured the following summer. In fact, ENSO-related features in the tropical Pacific play a major role in regulating the hydrological variability in the region with increased (decreased) summer and annual river discharges following El Niño (La Niña) events.; ;

  7. Absorption signatures of warm-hot gas at low redshift: Broad Lyman-Alpha Absorbers

    CERN Document Server

    Tepper-García, Thorsten; Schaye, Joop; Booth, Craig M; Vecchia, Claudio Dalla; Theuns, Tom

    2012-01-01

    We investigate the physical state of HI absorbing gas at low redshift (z=0.25) using a subset of cosmological, hydrodynamic simulations from the OWLS project, focusing in particular on broad (b_HI > 40 km/s) Lyman-Alpha absorbers (BLAs), which are believed to originate in shock-heated gas in the Warm-Hot Intergalactic Medium (WHIM). Our fiducial model, which includes radiative cooling by heavy elements and feedback by supernovae and active galactic nuclei, predicts that by z=0.25 nearly 60 per cent of the gas mass ends up at densities and temperatures characteristic of the WHIM and we find that half of this fraction is due to outflows. The standard HI observables (distribution of HI column densities N_HI, distribution of Doppler parameters b_HI, b_HI - N_HI correlation) and the BLA line number density predicted by our simulations are in remarkably good agreement with observations. BLAs arise in gas that is hotter, more highly ionised and more enriched than the gas giving rise to typical Lyman-Alpha forest abs...

  8. Comparison of net global warming potential and greenhouse gas intensity affected by management practices in two dryland cropping sites

    Science.gov (United States)

    Little is known about the effect of management practices on net global warming potential (GWP) and greenhouse gas intensity (GHGI) that account for all sources and sinks of greenhouse gas (GHG) emissions in dryland cropping systems. The objective of this study was to compare the effect of a combinat...

  9. Stabilized enzymes in continuous gas phase reactions

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Fangxiao; LeJeune, K.; Yang, Zhen [Univ. of Pittsburgh, PA (United States)] [and others

    1995-12-01

    We are assessing the utility of enzymes to catalyze reactions in a continuous gas phase reactor. First, alcohol dehydrogenase has been used to oxidize an unsaturated alcohol, 3-methyl-2-buten-1-ol (UOL), to the corresponding unsaturated aldehyde, 3-methyl-2-butenal (UAL). Cofactor NAD{sup +} was regenerated by concomitant acetone reduction to isopropyl alcohol. Second, organophosphorus hydrolase (OPH) has been used to hydrolyze pesticide vapors. In order to control enzyme hydration level, enzyme water adsorption isotherms at different temperature have been studied. Huttig`s isotherm model has been found suitable to describe adsorption behavior. The influence of enzyme hydration level, enzyme loading on glass beads, reaction temperature and flow rate on enzymatic reaction rate and biocatalyst stability were investigated. Reaction kinetics were studied and a kinetic model was proposed. We will also report our attempts to further stabilize enzymes for use in gas reactions by incorporating them into polymer matrices.

  10. Gas phase grown silicon germanium nanocrystals

    Science.gov (United States)

    Mohan, A.; Tichelaar, F. D.; Kaiser, M.; Verheijen, M. A.; Schropp, R. E. I.; Rath, J. K.

    2016-09-01

    We report on the gas phase synthesis of highly crystalline and homogeneously alloyed Si1-xGex nanocrystals in continuous and pulsed plasmas. Agglomerated nanocrystals have been produced with remarkable control over their composition by altering the precursor GeH4 gas flow in a continuous plasma. We specially highlight that in the pulsed plasma mode, we obtain quantum-sized free standing alloy nanocrystals with a mean size of 7.3 nm. The presence of Si1-xGex alloy particles is confirmed with multiple techniques, i.e. Raman spectroscopy, XRD (Xray diffraction) and HRTEM (high resolution transmission electron microscopy) studies, with each of these methods consistently yielding the same composition. The nanocrystals synthesized here have potential applications in band-gap engineering for multijunction solar cells.

  11. 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.

  12. Gas phase thermochemistry of organogermanium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Engel, J.P.

    1993-12-07

    A variety of silyl- and alkyl-germylene precursors have been synthesized and subsequently pyrolyzed in the gas phase. Arrhenius parameters were obtained employing a pulsed-stirred flow reactor for these unimolecular decompositions. These precursors are divided into two major categories by mechanism of germylene extrusion: {alpha}-elimination precursors and germylacetylenes. The extrusion of germylenes from germylacetylene precursors is of primary interest. A mechanism is proposed employing a germacyclopropene intermediate. Evidence supporting this mechanism is presented. In the process of exploring germylacetylenes as germylene precursors, an apparent dyatropic rearrangement between germanium and silicon was observed. This rearrangement was subsequently explored.

  13. Amperometric sensing in the gas-phase

    Energy Technology Data Exchange (ETDEWEB)

    Knake, Rene [University of Basel, Department of Chemistry, Spitalstrasse 51, 4004 Basel (Switzerland); Jacquinot, Patrick [University of Basel, Department of Chemistry, Spitalstrasse 51, 4004 Basel (Switzerland); Hodgson, Alexia W.E. [University of Basel, Department of Chemistry, Spitalstrasse 51, 4004 Basel (Switzerland); Hauser, Peter C. [University of Basel, Department of Chemistry, Spitalstrasse 51, 4004 Basel (Switzerland)]. E-mail: peter.hauser@unibas.ch

    2005-09-06

    The design of amperometric sensors for gaseous species presents a challenge as the gas phase has to be brought into contact with a solid electrode as well as an electrolyte phase which usually is liquid. However, many species of analytical interest are electroactive, such as SO{sub 2}, NO {sub x}, O{sub 3}, CO, formaldehyde or ethanol, and electrochemical means are always attractive in designing sensors because the electronic signal is obtained directly. Therefore, different approaches have been implemented and some types of such sensors have been available commercially for quite some time. Nevertheless, many new developments with regard to an improvement of sensitivity, selectivity and in the construction of these devices have been reported over the last few years, as well as approaches to miniaturization. In this review it is attempted to give an overview of the state of the art of this field, highlighting recent developments.

  14. Loitering Phase in Brane Gas Cosmology

    CERN Document Server

    Brandenberger, R H; Kimberly, D M; Brandenberger, Robert; Easson, Damien A.; Kimberly, Dagny

    2002-01-01

    Brane Gas Cosmology (BGC) is an approach to M-theory cosmology in which the initial state of the Universe is taken to be small, dense and hot, with all fundamental degrees of freedom near thermal equilibrium. Such a starting point is in close analogy with the Standard Big Bang (SBB) model. The topology of the Universe is assumed to be toroidal in all nine spatial dimensions and is filled with a gas of p-branes. The dynamics of winding modes allow, at most, three spatial dimensions to become large, thus explaining the origin of our macroscopic 3+1-dimensional Universe. Here we conduct a detailed analysis of the loitering phase of BGC. We do so by including into the equations of motion that describe the dilaton gravity background some new equations which determine the annihilation of string winding modes into string loops. Specific solutions are found within the model that exhibit loitering, i.e. the Universe experiences a short phase of slow contraction during which the Hubble radius grows larger than the phys...

  15. The history and future trends of ocean warming-induced gas hydrate dissociation in the SW Barents Sea

    Science.gov (United States)

    Vadakkepuliyambatta, Sunil; Chand, Shyam; Bünz, Stefan

    2017-01-01

    The Barents Sea is a major part of the Arctic where the Gulf Stream mixes with the cold Arctic waters. Late Cenozoic uplift and glacial erosion have resulted in hydrocarbon leakage from reservoirs, evolution of fluid flow systems, shallow gas accumulations, and hydrate formation throughout the Barents Sea. Here we integrate seismic data observations of gas hydrate accumulations along with gas hydrate stability modeling to analyze the impact of warming ocean waters in the recent past and future (1960-2060). Seismic observations of bottom-simulating reflectors (BSRs) indicate significant thermogenic gas input into the hydrate stability zone throughout the SW Barents Sea. The distribution of BSR is controlled primarily by fluid flow focusing features, such as gas chimneys and faults. Warming ocean bottom temperatures over the recent past and in future (1960-2060) can result in hydrate dissociation over an area covering 0.03-38% of the SW Barents Sea.

  16. Complex Chemistry in Star-Forming Regions: An Expanded Gas-Grain Warm-up Chemical Model

    CERN Document Server

    Garrod, Robin T; Herbst, Eric

    2008-01-01

    Gas-phase processes were long thought to be the key formation mechanisms for complex organic molecules in star-forming regions. However, recent experimental and theoretical evidence has cast doubt on the efficiency of such processes. Grain-surface chemistry is frequently invoked as a solution, but until now there have been no quantitative models taking into account both the high degree of chemical complexity and the evolving physical conditions of star-forming regions. Here, we introduce a new gas-grain chemical network, wherein a wide array of complex species may be formed by reactions involving radicals. The radicals we consider (H, OH, CO, HCO, CH3, CH3O, CH2OH, NH and NH2) are produced primarily by cosmic ray-induced photodissociation of the granular ices formed during the colder, earlier stages of evolution. The gradual warm-up of the hot core is crucial to the formation of complex molecules, allowing the more strongly-bound radicals to become mobile on grain surfaces. This type of chemistry is capable o...

  17. Halpha and [S II] emission from warm ionized gas in the Scutum-Centaurus Arm

    CERN Document Server

    Hill, Alex S; Haffner, L Matthew; Gostisha, Martin; Barger, Kathleen A

    2014-01-01

    We present Wisconsin H-Alpha Mapper [S II] {\\lambda}6716 and H{\\alpha} spectroscopic maps of the warm ionized medium (WIM) in the Scutum-Centaurus Arm at Galactic longitudes 310{\\deg} = 100 R. The line ratio is better correlated with H{\\alpha} intensity than with height above the plane, indicating that the physical conditions within the WIM vary systematically with electron density. We argue that the variation of the line ratio with height is a consequence of the decrease of electron density with height. Our results reinforce the well-established picture in which the diffuse H{\\alpha} emission is due primarily to emission from in situ photoionized gas, with scattered light only a minor contributor.

  18. Gas-Phase Reactivity of Microsolvated Anions

    DEFF Research Database (Denmark)

    Thomsen, Ditte Linde

    intrinsic factors and solvent effects is the enhanced reactivity of α-nucleophiles – nucleophiles with a lone-pair adjacent to the attacking site – referred to as the α-effect. This thesis concerns the reactivity of microsolvated anions and in particular how the presence of a single solvent molecule affects...... 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...... 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...

  19. Phase transitions in a gas of anyons

    CERN Document Server

    MacKenzie, R; Paranjape, M B; Richer, J

    2010-01-01

    We continue our numerical Monte Carlo simulation of a gas of closed loops on a 3 dimensional lattice, however now in the presence of a topological term added to the action corresponding to the total linking number between the loops. We compute the linking number using certain notions from knot theory. Adding the topological term converts the particles into anyons. Using the correspondence that the model is an effective theory that describes the 2+1-dimensional Abelian Higgs model in the asymptotic strong coupling regime, the topological linking number simply corresponds to the addition to the action of the Chern-Simons term. We find the following new results. The system continues to exhibit a phase transition as a function of the anyon mass as it becomes small \\cite{mnp}, although the phases do not change the manifestation of the symmetry. The Chern-Simons term has no effect on the Wilson loop, but it does affect the {\\rm '}t Hooft loop. For a given configuration it adds the linking number of the 't Hooft loo...

  20. Fundamentals of gas phase plasmas for treatment of human tissue.

    Science.gov (United States)

    Kushner, Mark J; Babaeva, Natalia Yu

    2011-01-01

    The use of gas phase plasmas for treating human tissue is at the intersection of two disciplines - plasma physics and engineering, and medicine. In this paper, a primer will be provided for the medical practitioner on the fundamentals of generating gas phase plasmas at atmospheric pressure in air for the treatment of human tissue. The mechanisms for gas phase plasmas interacting with tissue and biological fluids will also be discussed using results from computer modeling.

  1. Extended warm gas in Orion KL as probed by methyl cyanide

    CERN Document Server

    Bell, T A; Viti, S; Marcelino, N; Palau, Aina; Esplugues, G B; Tercero, B

    2014-01-01

    In order to study the temperature distribution of the extended gas within the Orion Kleinmann-Low nebula, we have mapped the emission by methyl cyanide (CH3CN) in its J=6_K-5_K, J=12_K-11_K, J=13_K-12_K, and J=14_K-13_K transitions at an average angular resolution of ~10 arcsec (22 arcsec for the 6_K-5_K lines), as part of a new 2D line survey of this region using the IRAM 30m telescope. These fully sampled maps show extended emission from warm gas to the northeast of IRc2 and the distinct kinematic signatures of the hot core and compact ridge source components. We have constructed population diagrams for the four sets of K-ladder emission lines at each position in the maps and have derived rotational excitation temperatures and total beam-averaged column densities from the fitted slopes. In addition, we have fitted LVG model spectra to the observations to determine best-fit physical parameters at each map position, yielding the distribution of kinetic temperatures across the region. The resulting temperature...

  2. Gas: A Neglected Phase in Remediation of Metals and Radionuclides

    Energy Technology Data Exchange (ETDEWEB)

    Denham, Miles E.; Looney, Brian B

    2005-09-28

    The gas phase is generally ignored in remediation of metals and radionuclides because it is assumed that there is no efficient way to exploit it. In the literal sense, all remediations involve the gas phase because this phase is linked to the liquid and solid phases by vapor pressure and thermodynamic relationships. Remediation methods that specifically use the gas phase as a central feature have primarily targeted volatile organic contaminants, not metals and radionuclides. Unlike many organic contaminants, the vapor pressure and Henry's Law constants of metals and radionuclides are not generally conducive to direct air stripping of dissolved contaminants. Nevertheless, the gas phase can play an important role in remediation of inorganic contaminants and provide opportunities for efficient, cost effective remediation. The objective here is to explore ways in which manipulation of the gas phase can be used to facilitate remediation of metals and radionuclides.

  3. Net global warming potential and greenhouse gas intensity influenced by irrigation, tillage, crop rotation, and nitrogen fertilization

    Science.gov (United States)

    Little information exists about sources and sinks of greenhouse gases (GHGs) affected by management practices to account for net emissions from agroecosystems. We evaluated the effects of irrigation, tillage, crop rotation, and N fertilization on net global warming potential (GWP) and greenhouse gas...

  4. The injection of liquid cool CO2 in a warm depleted gas reservoir

    NARCIS (Netherlands)

    Hofstee, C.; Maas, J.H.; Loeve, D.

    2013-01-01

    The P18-4 compartment (operated by TAQA Energy B.V.) would be injected by CO2 at a minimum temperature of 12 degrees C. At these temperatures, the CO2 phase will either be a gas or a liquid. As the initial temperature of the reservoir is 120 oC, the CO2 will eventually be the gaseous or (at higher

  5. Tentative detection of warm intervening gas towards PKS 0548-322 with XMM-Newton

    Energy Technology Data Exchange (ETDEWEB)

    Barcons, X.

    2005-03-17

    We present the results of a long ({approx} 93 ksec) XMM-Newton observation of the bright BL-Lac object PKS 0548-322 (z = 0.069). Our Reflection Grating Spectrometer (RGS) spectrum shows a single absorption feature at an observed wavelength {lambda} = 23.33 {+-} 0.01 {angstrom} which we interpret as OVI K{alpha} absorption at z = 0.058, i.e., {approx} 3000 km s{sup -1} from the background object. The observed equivalent width of the absorption line {approx} 30m {angstrom}, coupled with the lack of the corresponding absorption edge in the EPIC pn data, implies a column density N{sub OVI} {approx} 2 x 10{sup 16} cm{sup -2} and turbulence with a Doppler velocity parameter b > 100 km s{sup -1}. Within the limitations of our RGS spectrum, no OVII or OV K{alpha} absorption are detected. Under the assumption of ionization equilibrium by both collisions and the extragalactic background, this is only marginally consistent if the gas temperature is {approx} 2.5 x 10{sup 5} K, with significantly lower or higher values being excluded by our limits on OV or OVII. If confirmed, this would be the first X-ray detection of a large amount of intervening warm absorbing gas through OVI absorption. The existence of such a high column density absorber, much stronger than any previously detected one in OVI, would place stringent constraints on the large-scale distribution of baryonic gas in the Universe.

  6. Uncertainties in the attribution of greenhouse gas warming and implications for climate prediction

    Science.gov (United States)

    Jones, Gareth S.; Stott, Peter A.; Mitchell, John F. B.

    2016-06-01

    Using optimal detection techniques with climate model simulations, most of the observed increase of near-surface temperatures over the second half of the twentieth century is attributed to anthropogenic influences. However, the partitioning of the anthropogenic influence to individual factors, such as greenhouse gases and aerosols, is much less robust. Differences in how forcing factors are applied, in their radiative influence and in models' climate sensitivities, substantially influence the response patterns. We find that standard optimal detection methodologies cannot fully reconcile this response diversity. By selecting a set of experiments to enable the diagnosing of greenhouse gases and the combined influence of other anthropogenic and natural factors, we find robust detections of well-mixed greenhouse gases across a large ensemble of models. Of the observed warming over the twentieth century of 0.65 K/century we find, using a multimodel mean not incorporating pattern uncertainty, a well-mixed greenhouse gas warming of 0.87 to 1.22 K/century. This is partially offset by cooling from other anthropogenic and natural influences of -0.54 to -0.22 K/century. Although better constrained than recent studies, the attributable trends across climate models are still wide, with implications for observational constrained estimates of transient climate response. Some of the uncertainties could be reduced in future by having more model data to better quantify the simulated estimates of the signals and natural variability, by designing model experiments more effectively and better quantification of the climate model radiative influences. Most importantly, how model pattern uncertainties are incorporated into the optimal detection methodology should be improved.

  7. Finite element analysis of non-isothermal warm deep drawing of dual phase steel

    Directory of Open Access Journals (Sweden)

    Pepelnjak T.

    2016-01-01

    Full Text Available Improving the formability of the material is an important issue in the deep drawing process. Heating the material above its recrystallization temperature drastically increases formability but in the case of dual phase (DP steels it results in the loss of their mechanical properties. To improve the drawing ratio, only the heating of the flange region in the warm temperature range up to 300°C was studied on DP600 sheet steel by numerical simulation. Thermo-elastic-plastic FEM analysis of deep drawing at several drawing ratios was performed and compared with experimental results.

  8. How do changes in warm-phase microphysics affect deep convective clouds?

    Science.gov (United States)

    Chen, Qian; Koren, Ilan; Altaratz, Orit; Heiblum, Reuven H.; Dagan, Guy; Pinto, Lital

    2017-08-01

    Understanding aerosol effects on deep convective clouds and the derived effects on the radiation budget and rain patterns can largely contribute to estimations of climate uncertainties. The challenge is difficult in part because key microphysical processes in the mixed and cold phases are still not well understood. For deep convective clouds with a warm base, understanding aerosol effects on the warm processes is extremely important as they set the initial and boundary conditions for the cold processes. Therefore, the focus of this study is the warm phase, which can be better resolved. The main question is: How do aerosol-derived changes in the warm phase affect the properties of deep convective cloud systems? To explore this question, we used a weather research and forecasting (WRF) model with spectral bin microphysics to simulate a deep convective cloud system over the Marshall Islands during the Kwajalein Experiment (KWAJEX). The model results were validated against observations, showing similarities in the vertical profile of radar reflectivity and the surface rain rate. Simulations with larger aerosol loading resulted in a larger total cloud mass, a larger cloud fraction in the upper levels, and a larger frequency of strong updrafts and rain rates. Enlarged mass both below and above the zero temperature level (ZTL) contributed to the increase in cloud total mass (water and ice) in the polluted runs. Increased condensation efficiency of cloud droplets governed the gain in mass below the ZTL, while both enhanced condensational and depositional growth led to increased mass above it. The enhanced mass loading above the ZTL acted to reduce the cloud buoyancy, while the thermal buoyancy (driven by the enhanced latent heat release) increased in the polluted runs. The overall effect showed an increased upward transport (across the ZTL) of liquid water driven by both larger updrafts and larger droplet mobility. These aerosol effects were reflected in the larger ratio

  9. How do changes in warm-phase microphysics affect deep convective clouds?

    Directory of Open Access Journals (Sweden)

    Q. Chen

    2017-08-01

    Full Text Available Understanding aerosol effects on deep convective clouds and the derived effects on the radiation budget and rain patterns can largely contribute to estimations of climate uncertainties. The challenge is difficult in part because key microphysical processes in the mixed and cold phases are still not well understood. For deep convective clouds with a warm base, understanding aerosol effects on the warm processes is extremely important as they set the initial and boundary conditions for the cold processes. Therefore, the focus of this study is the warm phase, which can be better resolved. The main question is: How do aerosol-derived changes in the warm phase affect the properties of deep convective cloud systems? To explore this question, we used a weather research and forecasting (WRF model with spectral bin microphysics to simulate a deep convective cloud system over the Marshall Islands during the Kwajalein Experiment (KWAJEX. The model results were validated against observations, showing similarities in the vertical profile of radar reflectivity and the surface rain rate. Simulations with larger aerosol loading resulted in a larger total cloud mass, a larger cloud fraction in the upper levels, and a larger frequency of strong updrafts and rain rates. Enlarged mass both below and above the zero temperature level (ZTL contributed to the increase in cloud total mass (water and ice in the polluted runs. Increased condensation efficiency of cloud droplets governed the gain in mass below the ZTL, while both enhanced condensational and depositional growth led to increased mass above it. The enhanced mass loading above the ZTL acted to reduce the cloud buoyancy, while the thermal buoyancy (driven by the enhanced latent heat release increased in the polluted runs. The overall effect showed an increased upward transport (across the ZTL of liquid water driven by both larger updrafts and larger droplet mobility. These aerosol effects were reflected in the

  10. Herschel-spire Fourier transform spectrometer observations of excited CO and [C I] in the antennae (NGC 4038/39): Warm and cold molecular gas

    Energy Technology Data Exchange (ETDEWEB)

    Schirm, Maximilien R. P.; Wilson, Christine D.; Parkin, Tara J. [Department of Physics and Astronomy, McMaster University, Hamilton, ON L8S 4M1 (Canada); Kamenetzky, Julia; Glenn, Jason; Rangwala, Naseem [Center for Astrophysics and Space Astronomy, 389-UCB, University of Colorado, Boulder, CO 80303 (United States); Spinoglio, Luigi; Pereira-Santaella, Miguel [Istituto di Astrofisica e Planetologia Spaziali, INAF-IAPS, Via Fosso del Cavaliere 100, I-00133 Roma (Italy); Baes, Maarten; De Looze, Ilse [Sterrenkundig Observatorium, Universiteit Gent, Krijgslaan 281 S9, B-9000 Gent (Belgium); Barlow, Michael J. [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom); Clements, Dave L. [Astrophysics Group, Imperial College, Blackett Laboratory, Prince Consort Road, London SW7 2AZ (United Kingdom); Cooray, Asantha [Department of Physics and Astronomy, University of California, Irvine, CA 92697 (United States); Karczewski, Oskar Ł. [Department of Physics and Astronomy, University of Sussex, Brighton BN1 9QH (United Kingdom); Madden, Suzanne C.; Rémy-Ruyer, Aurélie; Wu, Ronin, E-mail: schirmmr@mcmaster.ca, E-mail: wilson@physics.mcmaster.ca [CEA, Laboratoire AIM, Irfu/SAp, Orme des Merisiers, F-91191 Gif-sur-Yvette (France)

    2014-02-01

    We present Herschel Spectral and Photometric Imaging Receiver (SPIRE) Fourier Transform Spectrometer (FTS) observations of the Antennae (NGC 4038/39), a well-studied, nearby (22 Mpc), ongoing merger between two gas-rich spiral galaxies. The SPIRE-FTS is a low spatial ( FWHM ∼ 19''-43'') and spectral (∼1.2 GHz) resolution mapping spectrometer covering a large spectral range (194-671 μm, 450-1545 GHz). We detect five CO transitions (J = 4-3 to J = 8-7), both [C I] transitions, and the [N II] 205 μm transition across the entire system, which we supplement with ground-based observations of the CO J = 1-0, J = 2-1, and J = 3-2 transitions and Herschel Photodetecting Array Camera and Spectrometer (PACS) observations of [C II] and [O I] 63 μm. Using the CO and [C I] transitions, we perform both a local thermodynamic equilibrium (LTE) analysis of [C I] and a non-LTE radiative transfer analysis of CO and [C I] using the radiative transfer code RADEX along with a Bayesian likelihood analysis. We find that there are two components to the molecular gas: a cold (T {sub kin} ∼ 10-30 K) and a warm (T {sub kin} ≳ 100 K) component. By comparing the warm gas mass to previously observed values, we determine a CO abundance in the warm gas of x {sub CO} ∼ 5 × 10{sup –5}. If the CO abundance is the same in the warm and cold gas phases, this abundance corresponds to a CO J = 1-0 luminosity-to-mass conversion factor of α{sub CO} ∼ 7 M {sub ☉} pc{sup –2} (K km s{sup –1}){sup –1} in the cold component, similar to the value for normal spiral galaxies. We estimate the cooling from H{sub 2}, [C II], CO, and [O I] 63 μm to be ∼0.01 L {sub ☉}/M {sub ☉}. We compare photon-dominated region models to the ratio of the flux of various CO transitions, along with the ratio of the CO flux to the far-infrared flux in NGC 4038, NGC 4039, and the overlap region. We find that the densities recovered from our non-LTE analysis are consistent with a

  11. Hydrocarbon radical thermochemistry: Gas-phase ion chemistry techniques

    Energy Technology Data Exchange (ETDEWEB)

    Ervin, Kent M. [Univ. of Nevada, Reno, NV (United States)

    2014-03-21

    Final Scientific/Technical Report for the project "Hydrocarbon Radical Thermochemistry: Gas-Phase Ion Chemistry Techniques." The objective of this project is to exploit gas-phase ion chemistry techniques for determination of thermochemical values for neutral hydrocarbon radicals of importance in combustion kinetics.

  12. Gas-phase infrared photodissociation spectroscopy of cationic polyaromatic hydrocarbons

    NARCIS (Netherlands)

    Oomens, J.; van Roij, A. J. A.; Meijer, G.; von Helden, G.

    2000-01-01

    Infrared spectra of gas-phase cationic naphthalene, phenanthrene, anthracene, and pyrene are recorded in the 500-1600 cm(-1) range using multiphoton dissociation in an ion trap. Gas-phase polyaromatic hydrocarbons are photoionized by an excimer laser and stored in a quadrupole ion trap. Subsequent i

  13. 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.

  14. The Holocene warm-humid phases in the North China Plain as recorded by multi-proxy records

    Institute of Scientific and Technical Information of China (English)

    CUI Jianxin; ZHOU Shangzhe; CHANG Hong

    2009-01-01

    The grain size and palinology of sediment and the frequency of 14C dada provide an integrated reconstruction of the Holocene warm-humid phases of the North China Plain. Two clear intense and long-lasting warm-humid phases were identified by comprehensive research in this region. The first phase was dated back to the early Holocene (9 000-7 000 a BP), and the second was centered at 5 000-3 000 a BP. The warm-humid episode between 9 000 and 7 000 a BP was also recognized at other sites showing global climatic trends rather than local events. Compared with the concern to the warm-humid phase of the early Holocene, the second one was not paid enough attention in the last few decades. The compilation of the Holocene paleoclimate data suggests that perhaps the second warm-humid phase was pervasive in monsoon region of China. In perspective of environmental archaeology, much attention should be devoted to it, because the flourish and adaptation of the Neolithic cultures and the building up of the first state seem to corresponding to the general warm-humid climatic conditions of this period. In addition, a warm-humid interval at 7 200-6 500 a BP was recognized by the grain size data from three sites. However, this warm-humid event was not shown in pollen assemblage and temporal distribution of 14C data. Perhaps, the resolution for climatic reconstruction from pollen and temporal distribution of 14C data cited here is relatively low and small-amplitude and short-period climatic events cannot be well reflected by the data. Due to the difference in locality and elevation of sampling site, as well as in resolution of proxy records, it is difficult to make precise correlation. Further work is needed in the future.

  15. Greenhouse gas emissions from Swiss agriculture since 1990: implications for environmental policies to mitigate global warming

    Energy Technology Data Exchange (ETDEWEB)

    Leifeld, Jens [AGROSCOPE, Swiss Federal Research Station for Agroecology and Agriculture, Air Pollution/Climate Group, Reckenholzstrasse 191, 8046 Zurich (Switzerland)]. E-mail: jens.leifeld@fal.admin.ch; Fuhrer, Juerg [AGROSCOPE, Swiss Federal Research Station for Agroecology and Agriculture, Air Pollution/Climate Group, Reckenholzstrasse 191, 8046 Zurich (Switzerland)

    2005-08-01

    Agricultural greenhouse gas (GHG) emissions contribute significantly to global warming, and environmental protection strategies have thus to integrate emission reduction measures from this source. In Switzerland, legislation together with monetary incentives has forced primarily integrated, and to a lesser extend organic farming, both covering nowadays more than 95% of the agriculturally useful area. Though reducing greenhouse gas emissions was not a primary intention of this reorganisation, the measures were successful in reducing the overall emissions of nitrous oxide and methane by 10% relative to 1990. A reduction of the animal herd, namely of dairy cattle, non-dairy cattle and swine, and decreasing inputs of mineral N are the main contributors to the achieved emission reduction. Crop productivity was not negatively affected and milk productivity even increased, referring to the ecological potential of agricultural reorganisation that has been tapped. Total meat production declined proportional to the animal herd. Stabilised animal numbers and fertiliser use during the last 4 years refer to an exhaustion of future reduction potentials without further legislative action because this stabilisation is most likely due to the adaptation to the production guidelines. A comparison of emission trends and carbon sequestration potentials in the broader context of the EU15 reveals that nitrous oxide (N{sub 2}O) and methane (CH{sub 4}) have been reduced more efficiently most probably due to the measures taken, but that sequestration potentials are smaller than in the EU15 mainly because of differences in the agricultural structure. The change from an intensified towards a more environmental sound integrated production has a significant reduction potential, but in any case, agriculture will remain a net GHG source in spite of emission mitigation and carbon sequestration.

  16. Cold and warm atomic gas around the Perseus molecular cloud I: Basic Properties

    CERN Document Server

    Stanimirovic, Snezana; Lee, Min-Young; Heiles, Carl; Miller, Jesse

    2014-01-01

    (Abridged) Using the Arecibo Observatory we have obtained neutral hydrogen (HI) absorption and emission spectral pairs in the direction of 26 background radio continuum sources in the vicinity of the Perseus molecular cloud. Strong absorption lines were detected in all cases allowing us to estimate spin temperature (T_s) and optical depth for 107 individual Gaussian components along these lines of sight. Basic properties of individual HI clouds (spin temperature, optical depth, and the column density of the cold and warm neutral medium, CNM and WNM) in and around Perseus are very similar to those found for random interstellar lines of sight sampled by the Millennium HI survey. This suggests that the neutral gas found in and around molecular clouds is not atypical. However, lines of sight in the vicinity of Perseus have on average a higher total HI column density and the CNM fraction, suggesting an enhanced amount of cold HI relative to an average interstellar field. Our estimated optical depth and spin temper...

  17. Hα and [SII] Emission from Warm Ionized Gas in the Scutum-Centaurus Arm

    Science.gov (United States)

    Hill, Alex S.; Benjamin, Robert A.; Haffner, L. Matthew; Gostisha, Martin C.; Barger, Kathleen A.

    2014-06-01

    We present Wisconsin H-Alpha Mapper [SII] λ6716 and Hα spectroscopic maps of the warm ionized medium (WIM) in the Scutum-Centaurus Arm at Galactic longitudes 310° extinction-corrected Hα intensities (I_{{H} \\alpha }^c), we measure an exponential scale height of electron density squared in the arm of H_{n_e^2}= 0.30 \\, {kpc} (assuming a distance of 3.5 kpc), intermediate between that observed in the inner Galaxy and in the Perseus Arm. The [S II]/Hα line ratio is enhanced at large |z| and in sightlines with faint I_{{H} \\alpha }^c. We find that the [S II]/Hα line ratio has a power-law relationship with I_{{H} \\alpha }^c from a value of ≈1.0 at I_{{H} \\alpha }^creinforce the well-established picture in which the diffuse Hα emission is due primarily to emission from in situ photoionized gas, with scattered light only a minor contributor.

  18. Absorption signatures of warm-hot gas at low redshift: OVI

    CERN Document Server

    Tepper-Garcia, Thorsten; Schaye, Joop; Booth, C M; Vecchia, Claudio Dalla; Theuns, Tom; Wiersma, Robert P C

    2010-01-01

    [abridged] We investigate the origin and physical properties of OVI absorbers at low redshift (z = 0.25) using a subset of cosmological, hydrodynamical simulations from the OverWhelmingly Large Simulations (OWLS) project. Intervening OVI absorbers are believed to trace shock-heated gas in the Warm-Hot Intergalactic Medium (WHIM) and may thus play a key role in the search for the missing baryons in the present-day Universe. When compared to observations, the predicted distributions of the different OVI line parameters (column density, Doppler parameter, rest equivalent width) from our simulations exhibit a lack of strong OVI absorbers, a discrepancy that has also been found by Oppenheimer & Dave (2009b). This suggests that physical processes on sub-grid scales (e.g. turbulence) may strongly influence the observed properties of OVI systems. We find that the intervening OVI absorption arises in highly metal-enriched (10^{-1} < 10^2 and temperatures T =10^{5.3\\pm0.5} K. While the OVI resides in a similar ...

  19. Climate variability during warm and cold phases of the Atlantic Multidecadal Oscillation (AMO) 1871-2008

    Science.gov (United States)

    Alexander, Michael A.; Halimeda Kilbourne, K.; Nye, Janet A.

    2014-05-01

    An extended reanalysis, a combination of observations and model output, is used to examine the spatial patterns of physical variables associated with the Atlantic Multidecadal Oscillation (AMO) from 1871 to 2008. The results are presented as anomalies during positive and negative phases of the AMO. As in previous studies, during positive (negative) AMO phases the sea surface temperature (SST) is anomalously warm (cold) over most of the North Atlantic, with the exception of the east coast of the United States. The atmospheric patterns, associated with the positive phase of the AMO, include anomalous low pressure over the Atlantic between 20°S and 50°N, cyclonic surface winds around the low, reduced wind speeds over the tropical Atlantic and enhanced precipitation in the eastern tropical Atlantic, with roughly opposite conditions during negative AMO phases. There are, however, substantial differences in the SST and the atmospheric anomalies between periods of the same phase, especially in the extratropics. Correlations between the AMO and air temperature anomalies are positive over much of the globe between 40°S and 50°N, with correlations exceeding 0.6 (~ 95% significance level) over the Maritime Continent and northern rim of the Pacific Ocean. Most of the sea level pressure (SLP) anomalies beyond the Atlantic are not statistically significant.

  20. {\\em Ab initio} Quantum Monte Carlo simulation of the warm dense electron gas in the thermodynamic limit

    CERN Document Server

    Dornheim, Tobias; Sjostrom, Travis; Malone, Fionn D; Foulkes, W M C; Bonitz, Michael

    2016-01-01

    We perform \\emph{ab initio} quantum Monte Carlo (QMC) simulations of the warm dense uniform electron gas in the thermodynamic limit. By combining QMC data with linear response theory we are able to remove finite-size errors from the potential energy over the entire warm dense regime, overcoming the deficiencies of the existing finite-size corrections by Brown \\emph{et al.}~[PRL \\textbf{110}, 146405 (2013)]. Extensive new QMC results for up to $N=1000$ electrons enable us to compute the potential energy $V$ and the exchange-correlation free energy $F_{xc}$ of the macroscopic electron gas with an unprecedented accuracy of $|\\Delta V|/|V|, |\\Delta F_{xc}|/|F|_{xc} \\sim 10^{-3}$. A comparison of our new data to the recent parametrization of $F_{xc}$ by Karasiev {\\em et al.} [PRL {\\bf 112}, 076403 (2014)] reveals significant inaccuracies of the latter.

  1. Influence of Phase-Change Materials on Thermo-Physiological Comfort in Warm Environment

    Directory of Open Access Journals (Sweden)

    Damjana Celcar

    2013-01-01

    Full Text Available The purpose of this research work is to investigate the influence of phase-change materials (PCMs on thermo-physiological comfort of different male business clothing systems evaluated in warm environment. The impact of particular business clothing on the thermo-physiological comfort of the wearer during different physical activity and environmental conditions (between 25°C and 10°C with step of 5°C, artificially created in a climate chamber, was determined experimentally, as a change of three physiological parameters of a human being: mean skin temperature, heart rate, and the amount of evaporated and condensed sweat. A questionnaire and an assessment scale were also used before, during, and after each experiment in order to evaluate the wearer’s subjective feeling of comfort. The results of the performed research work show that male business clothing systems in combination with PCMs do not affect the thermal-physiological comfort of the wearer in warm environment significantly, except at an ambient temperature of 15°C, where clothing systems in combination with PCMs produce a small heating effect. Furthermore, it was concluded that clothing systems in combination with PCMs indicate a small temporary thermal effect that is reflected in a slight rising or lowering of mean skin temperature during activity changes.

  2. Gamma-ray spectra of hexane in gas phase and liquid phase

    CERN Document Server

    Ma, Xiaoguang

    2012-01-01

    Theoretical gamma-ray spectra of molecule hexane have been calculated and compared with the experimental results in both gas (Surko et al, 1997) and liquid (Kerr et al, 1965) phases. The present study reveals that in gas phase not all valence electrons of hexane exhibit the same probability to annihilate a positron. Only the positrophilic electrons in the valence space dominate the gamma-ray spectra, which are in good agreement with the gas phase measurement. When hexane is confined in liquid phase, however, the intermolecular interactions ultimately eliminate the free molecular orientation and selectivity for the positrophilic electrons in the gas phase. As a result, the gamma-ray spectra of hexane become an averaged contribution from all valence electrons, which is again in agreement with liquid phase measurement. The roles of the positrophilic electrons in annihilation process for gas and liquid phases of hexane have been recognized for the first time in the present study.

  3. High-global warming potential F-gas emissions in California: comparison of ambient-based versus inventory-based emission estimates, and implications of refined estimates.

    Science.gov (United States)

    Gallagher, Glenn; Zhan, Tao; Hsu, Ying-Kuang; Gupta, Pamela; Pederson, James; Croes, Bart; Blake, Donald R; Barletta, Barbara; Meinardi, Simone; Ashford, Paul; Vetter, Arnie; Saba, Sabine; Slim, Rayan; Palandre, Lionel; Clodic, Denis; Mathis, Pamela; Wagner, Mark; Forgie, Julia; Dwyer, Harry; Wolf, Katy

    2014-01-21

    To provide information for greenhouse gas reduction policies, the California Air Resources Board (CARB) inventories annual emissions of high-global-warming potential (GWP) fluorinated gases, the fastest growing sector of greenhouse gas (GHG) emissions globally. Baseline 2008 F-gas emissions estimates for selected chlorofluorocarbons (CFC-12), hydrochlorofluorocarbons (HCFC-22), and hydrofluorocarbons (HFC-134a) made with an inventory-based methodology were compared to emissions estimates made by ambient-based measurements. Significant discrepancies were found, with the inventory-based emissions methodology resulting in a systematic 42% under-estimation of CFC-12 emissions from older refrigeration equipment and older vehicles, and a systematic 114% overestimation of emissions for HFC-134a, a refrigerant substitute for phased-out CFCs. Initial, inventory-based estimates for all F-gas emissions had assumed that equipment is no longer in service once it reaches its average lifetime of use. Revised emission estimates using improved models for equipment age at end-of-life, inventories, and leak rates specific to California resulted in F-gas emissions estimates in closer agreement to ambient-based measurements. The discrepancies between inventory-based estimates and ambient-based measurements were reduced from -42% to -6% for CFC-12, and from +114% to +9% for HFC-134a.

  4. Liquid-Gas Phase Transition in Nuclear Equation of State

    CERN Document Server

    Lee, S J

    1997-01-01

    A canonical ensemble model is used to describe a caloric curve of nuclear liquid-gas phase transition. Allowing a discontinuity in the freeze out density from one spinodal density to another for a given initial temperature, the nuclear liquid-gas phase transition can be described as first order. Averaging over various freeze out densities of all the possible initial temperatures for a given total reaction energy, the first order characteristics of liquid-gas phase transition is smeared out to a smooth transition. Two experiments, one at low beam energy and one at high beam energy show different caloric behaviors and are discussed.

  5. Gas-Liquid Flows and Phase Separation

    Science.gov (United States)

    McQuillen, John

    2004-01-01

    Common issues for space system designers include:Ability to Verify Performance in Normal Gravity prior to Deployment; System Stability; Phase Accumulation & Shedding; Phase Separation; Flow Distribution through Tees & Manifolds Boiling Crisis; Heat Transfer Coefficient; and Pressure Drop.The report concludes:Guidance similar to "A design that operates in a single phase is less complex than a design that has two-phase flow" is not always true considering the amount of effort spent on pressurizing, subcooling and phase separators to ensure single phase operation. While there is still much to learn about two-phase flow in reduced gravity, we have a good start. Focus now needs to be directed more towards system level problems .

  6. The JCMT Nearby Galaxies Legacy Survey II: Warm Molecular Gas and Star Formation in Three Field Spiral Galaxies

    CERN Document Server

    Warren, B E; Israel, F P; Serjeant, S; Bendo, G J; Brinks, E; Clements, D L; Irwin, J A; Knapen, J H; Leech, J; Matthews, H E; Mühle, S; Mortimer, A M J; Petitpas, G; Sinukoff, E; Spekkens, K; Tan, B K; Tilanus, R P J; Usero, A; van der Werf, P P; Vlahakis, C; Wiegert, T; Zhu, M

    2010-01-01

    We present the results of large-area CO J=3-2 emission mapping of three nearby field galaxies, NGC 628, NGC 3521, and NGC 3627, completed at the James Clerk Maxwell Telescope as part of the Nearby Galaxies Legacy Survey. These galaxies all have moderate to strong CO J=3-2 detections over large areas of the fields observed by the survey, showing resolved structure and dynamics in their warm/dense molecular gas disks. All three galaxies were part of the Spitzer Infrared Nearby Galaxies Survey sample, and as such have excellent published multi-wavelength ancillary data. These data sets allow us to examine the star formation properties, gas content, and dynamics of these galaxies on sub-kiloparsec scales. We find that the global gas depletion times for dense/warm molecular gas in these galaxies is consistent with other results for nearby spiral galaxies, indicating this may be independent of galaxy properties such as structures, gas compositions, and environments. Similar to the results from the THINGS HI survey,...

  7. Study of phase separation using liquid-gas model of lattice-gas cellular automata

    Energy Technology Data Exchange (ETDEWEB)

    Ebihara, Kenichi; Watanabe, Tadashi; Kaburaki, Hideo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1997-07-01

    This report describes the study of phase separation by the liquid gas model of lattice gas cellular automata. The lattice gas cellular automaton is one model for simulating fluid phenomena which was proposed by Frisch, Hasslacher and Pomeau in 1986. In 1990, Appert and Zaleski added a new long-range interaction to lattice gas cellular automata to construct a model, the liquid-gas model, which could simulate phase separation using lattice-gas cellular automata. Gerits et al formulated the liquid-gas model mathematically using the theory of statistical dynamics in 1993 and explained the mechanism of phase separation in the liquid-gas model using the equation of state. At first this report explains the FHP model of lattice gas cellular automata and derives fluid dynamics equations such as the equation of continuity and the Navier-Stokes equation. Then the equation of state for the liquid-gas model which was derived by Gerits et al is modified by adding the interactions which were proposed by Appert but not considered by Gerits et al. The modified equation of state is verified by the computer simulation using the liquid gas model. The relation between phase separation and the equation of state is discussed. (author)

  8. Clean and highly ordered graphene synthesized in the gas phase.

    Science.gov (United States)

    Dato, Albert; Lee, Zonghoon; Jeon, Ki-Joon; Erni, Rolf; Radmilovic, Velimir; Richardson, Thomas J; Frenklach, Michael

    2009-10-28

    We report that the substrate-free gas-phase graphene synthesis method produces clean and highly ordered graphene sheets that are similar in quality to the graphene obtained through the mechanical exfoliation of highly oriented pyrolytic graphite.

  9. Mixed Stationary Liquid Phases for Gas-Liquid Chromatography.

    Science.gov (United States)

    Koury, Albert M.; Parcher, Jon F.

    1979-01-01

    Describes a laboratory technique for use in an undergraduate instrumental analysis course that, using the interpretation of window diagrams, prepares a mixed liquid phase column for gas-liquid chromatography. A detailed procedure is provided. (BT)

  10. Deepwater gas kick simulation with consideration of the gas hydrate phase tran-sition

    Institute of Scientific and Technical Information of China (English)

    王志远; 孙宝江

    2014-01-01

    The hydrate phase transition presents new problems and challenges for the deepwater well control in the drilling processes. A simulation model is built for deepwater gas kicks with consideration of the hydrate phase transition. The model is based on the multiphase flow governing equations and the hydrate phase transition calculation equations. The influence of the hydrate phase tran-sition on the gas kick hydraulics is investigated through numerical simulations. It is shown that the diameter of the gas bubbles can significantly influence the hydrate phase transition effect. The influence of the hydrate phase transition on the gas kick hydraulics in-creases with the decrease of the average gas bubble diameter. The hydrate phase transition adds a“hidden”nature for the well kick in deepwater and hinders the early detection of the gas kick. The influence of the hydrate phase transition on the gas kick hydraulics is also studied in the case when the hydrate inhibitor is added to the drilling fluid.

  11. Response of Global Lightning Activity Observed by the TRMM/LIS During Warm and Cold ENSO Phases

    Science.gov (United States)

    Chronis, Themis G.; Cecil, Dan; Goodman, Steven J.; Buechler, Dennis

    2007-01-01

    This paper investigates the response of global lightning activity to the transition from the warm (January February March-JFM 1998) to the cold (JFM 1999) ENSO phase. The nine-year global lightning climatology for these months from the Tropical Rainfall Measuring Mission (TRMM) Lightning Imaging Sensor (LIS) provides the observational baseline. Flash rate density is computed on a 5.0x5.0 degree lat/lon grid within the LIS coverage area (between approx.37.5 N and S) for each three month period. The flash rate density anomalies from this climatology are examined for these months in 1998 and 1999. The observed lightning anomalies spatially match the documented general circulation features that accompany the warm and cold ENSO events. During the warm ENSO phase the dominant positive lightning anomalies are located mostly over the Western Hemisphere and more specifically over Gulf of Mexico, Caribbean and Northern Mid-Atlantic. We further investigate specifically the Northern Mid-Atlantic related anomaly features since these show strong relation to the North Atlantic Oscillation (NAO). Furthermore these observed anomaly patterns show strong spatial agreement with anomalous upper level (200 mb) cold core cyclonic circulations. Positive sea surface temperature anomalies during the warm ENSO phase also affect the lightning activity, but this is mostly observed near coastal environments. Over the open tropical oceans, there is climatologically less lightning and the anomalies are less pronounced. Warm ENSO related anomalies over the Eastern Hemisphere are most prominent over the South China coast. The transition to the cold ENSO phase illustrates the detected lightning anomalies to be more pronounced over East and West Pacific. A comparison of total global lightning between warm and cold ENSO phase reveals no significant difference, although prominent regional anomalies are located over mostly oceanic environments. All three tropical "chimneys" (Maritime Continent, Central

  12. Optically-Based Diagnostics for Gas-Phase Laser Development

    Science.gov (United States)

    2010-08-01

    Phase Laser Development Acknowledgement of Support and Disclaimer This material is based upon work supported by Air Force Office of Scientific...00-2010 4. TITLE AND SUBTITLE Optically-Based Diagnostics for Gas-Phase Laser Development 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM...Sciences Inc. Role of Optical Diagnostics in High Energy Gas Laser Development  Chemically rich, energetic, reacting flow with competing phenomena

  13. Three-phase flow of submarine gas hydrate pipe transport

    Institute of Scientific and Technical Information of China (English)

    李立; 徐海良; 杨放琼

    2015-01-01

    In the hydraulic transporting process of cutter-suction mining natural gas hydrate, when the temperature−pressure equilibrium of gas hydrate is broken, gas hydrates dissociate into gas. As a result, solid−liquid two-phase flow (hydrate and water) transforms into gas−solid−liquid three-phase flow (methane, hydrate and water) inside the pipeline. The Euler model and CFD-PBM model were used to simulate gas−solid−liquid three-phase flow. Numerical simulation results show that the gas and solid phase gradually accumulate to the center of the pipe. Flow velocity decreases from center to boundary of the pipe along the radial direction. Comparison of numerical simulation results of two models reveals that the flow state simulated by CFD-PBM model is more uniform than that simulated by Euler model, and the main behavior of the bubble is small bubbles coalescence to large one. Comparison of numerical simulation and experimental investigation shows that the values of flow velocity and gas fraction in CFD-PBM model agree with experimental data better than those in Euler model. The proposed PBM model provides a more accurate and effective way to estimate three-phase flow state of transporting gas hydrate within the submarine pipeline.

  14. Electron spectrometer for gas-phase spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bozek, J.D.; Schlachter, A.S. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)

    1997-04-01

    An electron spectrometer for high-resolution spectroscopy of gaseous samples using synchrotron radiation has been designed and constructed. The spectrometer consists of a gas cell, cylindrical electrostatic lens, spherical-sector electron energy analyzer, position-sensitive detector and associated power supplies, electronics and vacuum pumps. Details of the spectrometer design are presented together with some representative spectra.

  15. The gas phase origin of complex organic molecules precursors in prestellar cores

    Science.gov (United States)

    Bacmann, A.; Faure, A.

    2016-05-01

    Complex organic molecules (COMs) have long been observed in the warm regions surrounding nascent protostars. The recent discovery of oxygen-bearing COMs like methyl formate or dimethyl ether in prestellar cores (Bacmann et al. [2]), where gas and dust temperatures rarely exceed 10-15 K, has challenged the previously accepted models according to which COM formation relied on the diffusion of heavy radicals on warm (˜30 K) grains. Following these detections, new questions have arisen: do non-thermal processes play a role in increasing radical mobility or should new gas-phase routes be explored? The radicals involved in the formation of the aforementioned COMs, HCO and CH3O represent intermediate species in the grain-surface synthesis of methanol which proceeds via successive hydrogenations of CO molecules in the ice. We present here observations of methanol and its grain-surface precursors HCO, H2CO, CH3O in a sample of prestellar cores and derive their relative abundances. We find that the relative abundances HCO:H2CO:CH3O:CH3OH are constant across the core sample, close to 10:100:1:100. Our results also show that the amounts of HCO and CH3O are consistent with a gas-phase synthesis of these species from H2CO and CH3OH via radical-neutral or ion-molecule reactions followed by dissociative recombinations. Thus, while grain chemistry is necessary to explain the abundances of the parent volatile CH3OH, and possibly H2CO, the reactive species HCO and CH3O might be daughter molecules directly produced in the gas-phase.

  16. Nuclear Liquid-Gas Phase Transition: Experimental Signals

    Science.gov (United States)

    D'Agostino, M.; Bruno, M.; Gulminelli, F.; Cannata, F.; Chomaz, Ph.; Casini, G.; Geraci, E.; Gramegna, F.; Moroni, A.; Vannini, G.

    2005-03-01

    The connection between the thermodynamics of charged finite nuclear systems and the asymptotically measured partitions in heavy ion collisions is discussed. Different independent signals compatible with a liquid-to-gas-like phase transition are reported. In particular abnormally large fluctuations in the measured observables are presented as a strong evidence of a first order phase transition with negative heat capacity.

  17. Nuclear liquid-gas phase transition: Experimental signals

    Energy Technology Data Exchange (ETDEWEB)

    D' Agostino, M. [Dipartimento di Fisica and INFN, Bologna (Italy); Bruno, M. [Dipartimento di Fisica and INFN, Bologna (Italy); Gulminelli, F. [LPC Caen (IN2P3-CNRS/ISMRA et Universite), F-14050 Caen Cedex (France); Cannata, F. [Dipartimento di Fisica and INFN, Bologna (Italy); Chomaz, Ph. [GANIL, DSM-CEA/IN2P3-CNRS (France); Casini, G. [INFN Sezione di Firenze (Italy); Geraci, E. [Dipartimento di Fisica and INFN, Bologna (Italy); Gramegna, F. [INFN Laboratorio Nazionale di Legnaro (Italy); Moroni, A. [Dipartimento di Fisica and INFN, Milano (Italy); Vannini, G. [Dipartimento di Fisica and INFN, Bologna (Italy)

    2005-03-07

    The connection between the thermodynamics of charged finite nuclear systems and the asymptotically measured partitions in heavy ion collisions is discussed. Different independent signals compatible with a liquid-to-gas-like phase transition are reported. In particular abnormally large fluctuations in the measured observables are presented as a strong evidence of a first order phase transition with negative heat capacity.

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

    Science.gov (United States)

    T'Ien, J. S.

    1972-01-01

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

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

    Science.gov (United States)

    T'Ien, J. S.

    1972-01-01

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

  20. WARM IONIZED-GAS IN THE EDGE-ON GALAXIES NGC-4565 AND NGC-4631

    NARCIS (Netherlands)

    RAND, RJ; KULKARNI, [No Value; HESTER, JJ

    1992-01-01

    We present H-alpha observations of two edge-on galaxies: NGC 4565 and NGC 4631. In contrast to NGC 891, which was studied in a previous paper, neither of these galaxies shows evidence for a smooth, vertically extended, diffuse, warm ionized medium. NGC 4565 is a weak H-alpha emitter, and shows no ev

  1. Gas phase metal cluster model systems for heterogeneous catalysis.

    Science.gov (United States)

    Lang, Sandra M; Bernhardt, Thorsten M

    2012-07-14

    Since the advent of intense cluster sources, physical and chemical properties of isolated metal clusters are an active field of research. In particular, gas phase metal clusters represent ideal model systems to gain molecular level insight into the energetics and kinetics of metal-mediated catalytic reactions. Here we summarize experimental reactivity studies as well as investigations of thermal catalytic reaction cycles on small gas phase metal clusters, mostly in relation to the surprising catalytic activity of nanoscale gold particles. A particular emphasis is put on the importance of conceptual insights gained through the study of gas phase model systems. Based on these concepts future perspectives are formulated in terms of variation and optimization of catalytic materials e.g. by utilization of bimetals and metal oxides. Furthermore, the future potential of bio-inspired catalytic material systems are highlighted and technical developments are discussed.

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

    DEFF Research Database (Denmark)

    Løj, Lusi Hindiyarti

    2007-01-01

    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......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...

  3. Effect of counter current gas phase on liquid film

    Institute of Scientific and Technical Information of China (English)

    Shujuan LUO; Huaizhi LI; Weiyang FEI; Yundong WANG

    2009-01-01

    Liquid film flow is very important in many industrial applications. However, there are few reports about its characteristics on structured packings. Therefore, in this paper, liquid film phenomena were investigated experimentally to exploit new approaches for intensifying the performance of the structured packings. All experiments were performed at room temperature. Water and air were the working fluids. The effect of counter current gas phase on the liquid film was taken into consideration. A high speed camera, a non-intrusive measurement technique, was used. It is shown that both liquid and gas phases have strong effects on film characteristics. In the present work, liquid film width increased by 57% because of increasing liquid flow rate, while it decreased by 25% resulting from the counter current gas phase.

  4. Post-flame gas-phase sulfation of potassium chloride

    DEFF Research Database (Denmark)

    Li, Bo; Sun, Zhiwei; Li, Zhongshan;

    2013-01-01

    homogeneous systems are required to characterize the gas-phase formation of alkali sulfates. We have measured the temperature and gas-phase concentrations of KCl and HCl, and detected the presence of aerosols in the post-flame region of a range of hydrocarbon flames seeded with KCl, with and without......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...... the addition of SO2. Dilution of the flame products with different amounts of N2 ensured post-flame temperatures in the range 950–1400K. In the absence of SO2, KCl levels were constant in the post-flame zone and no aerosols were formed, even at the lowest temperatures. In the presence of SO2, KCl was consumed...

  5. 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.)

  6. Gas phase chemical detection with an integrated chemical analysis system

    Energy Technology Data Exchange (ETDEWEB)

    CASALNUOVO,STEPHEN A.; FRYE-MASON,GREGORY CHARLES; KOTTENSTETTE,RICHARD; HELLER,EDWIN J.; MATZKE,CAROLYN M.; LEWIS,PATRICK R.; MANGINELL,RONALD P.; BACA,ALBERT G.; HIETALA,VINCENT M.

    2000-04-12

    Microfabrication technology has been applied to the development of a miniature, multi-channel gas phase chemical laboratory that provides fast response, small size, and enhanced versatility and chemical discrimination. Each analysis channel includes a sample preconcentrator followed by a gas chromatographic separator and a chemically selective surface acoustic wave detector array to achieve high sensitivity and selectivity. The performance of the components, individually and collectively, is described.

  7. A global meta-analysis on the impact of management practices on net global warming potential and greenhouse gas intensity from cropland soils

    Science.gov (United States)

    Agricultural practices contribute significant amount of greenhouse gas (GHG) emissions, but little is known about their effects on net global warming potential (GWP) and greenhouse gas intensity (GHGI) that account for all sources and sinks of carbon dioxide emissions per unit area or crop yield. Se...

  8. 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.

  9. Negative ion gas-phase chemistry of arenes.

    Science.gov (United States)

    Danikiewicz, Witold; Zimnicka, Magdalena

    2016-01-01

    Reactions of aromatic and heteroaromatic compounds involving anions are of great importance in organic synthesis. Some of these reactions have been studied in the gas phase and are occasionally mentioned in reviews devoted to gas-phase negative ion chemistry, but no reviews exist that collect all existing information about these reactions. This work is intended to fill this gap. In the first part of this review, methods for generating arene anions in the gas phase and studying their physicochemical properties and fragmentation reactions are presented. The main topics in this part are as follows: processes in which gas-phase arene anions are formed, measurements and calculations of the proton affinities of arene anions, proton exchange reactions, and fragmentation processes of substituted arene anions, especially phenide ions. The second part is devoted to gas-phase reactions of arene anions. The most important of these are reactions with electrophiles such as carbonyl compounds and α,β-unsaturated carbonyl and related compounds (Michael acceptors). Other reactions including oxidation of arene anions and halogenophilic reactions are also presented. In the last part of the review, reactions of electrophilic arenes with nucleophiles are discussed. The best known of these is the aromatic nucleophilic substitution (SN Ar) reaction; however, other processes that lead to the substitution of a hydrogen atom in the aromatic ring are also very important. Aromatic substrates in these reactions are usually but not always nitroarenes bearing other substituents in the ring. The first step in these reactions is the formation of an anionic σ-adduct, which, depending on the substituents in the aromatic ring and the structure of the attacking nucleophile, is either an intermediate or a transition state in the reaction path. In the present review, we attempted to collect the results of both experimental and computational studies of the aforementioned reactions conducted since the

  10. The interstellar medium in Andromeda's dwarf spheroidal galaxies: II. Multi-phase gas content and ISM conditions

    CERN Document Server

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

    2016-01-01

    We make an inventory of the interstellar medium material in three low-metallicity dwarf spheroidal galaxies of the Local Group (NGC147, NGC185 and NGC205). Ancillary HI, CO, Spitzer IRS spectra, H{\\alpha} and X-ray observations are combined to trace the atomic, cold and warm molecular, ionised and hot gas phases. We present new Nobeyama CO(1-0) observations and Herschel SPIRE FTS [CI] observations of NGC205 to revise its molecular gas content. We derive total gas masses of M_gas = 1.9-5.5x10^5 Msun for NGC185 and M_gas = 8.6-25.0x10^5 Msun for NGC205. Non-detections combine to an upper limit on the gas mass of M_gas =< 0.3-2.2x10^5 Msun for NGC147. The observed gas reservoirs are significantly lower compared to the expected gas masses based on a simple closed-box model that accounts for the gas mass returned by planetary nebulae and supernovae. The gas-to-dust mass ratios GDR~37-107 and GDR~48-139 are also considerably lower compared to the expected GDR~370 and GDR~520 for the low metal abundances in NGC 1...

  11. Enhancement of gas phase heat transfer by acoustic field application.

    Science.gov (United States)

    Komarov, Sergey; Hirasawa, Masahiro

    2003-06-01

    This study discusses a possibility for enhancement of heat transfer between solids and ambient gas by application of powerful acoustic fields. Experiments are carried out by using preheated Pt wires (length 0.1-0.15 m, diameter 50 and 100 micro m) positioned at the velocity antinode of a standing wave (frequency range 216-1031 Hz) or in the path of a travelling wave (frequency range 6.9-17.2 kHz). A number of experiments were conducted under conditions of gas flowing across the wire surface. Effects of sound frequency, sound strength, gas flow velocity and wire preheating temperature on the Nusselt number are examined with and without sound application. The gas phase heat transfer rate is enhanced with acoustic field strength. Higher temperatures result in a vigorous radiation from the wire surface and attenuate the effect of sound. The larger the gas flow velocity, the smaller is the effect of sound wave on heat transfer enhancement.

  12. Experimental Study on Vertical Dilute Phase Gas Conveying

    Institute of Scientific and Technical Information of China (English)

    景山; 王金福; 等

    2003-01-01

    An experimental study of vertical gas conveying Geldart-D powder as a dilute phase is performed in a pipe of length 22m and internal diameter 0.05m using a fluidized blow tank at gas velocity ranging from 5m ·s-1 to 13m·s-1 and loading ratio up to about 30.The characteristics of gas conveying,such as pressure drop,the choking velocity and the minimum primary velocity of the fluidized blow tank,are discussed in detail.

  13. Gas Phase Hydration of Methyl Glyoxal to Form the Gemdiol

    Science.gov (United States)

    Kroll, Jay A.; Axson, Jessica L.; Vaida, Veronica

    2016-06-01

    Methylglyoxal is a known oxidation product of volatile organic compounds (VOCs) in Earth's atmosphere. While the gas phase chemistry of methylglyoxal is fairly well understood, its modeled concentration and role in the formation of secondary organic aerosol (SOA) continues to be controversial. The gas phase hydration of methylglyoxal to form a gemdiol has not been widely considered for water-restricted environments such as the atmosphere. However, this process may have important consequences for the atmospheric processing of VOCs. We will report on spectroscopic work done in the Vaida laboratory studying the hydration of methylglyoxal and discuss the implications for understanding the atmospheric processing and fate of methylglyoxal and similar molecules.

  14. 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

  15. Morphology and Kinematics of Warm Molecular Gas in the Nuclear Region of Arp 220 as Revealed by ALMA

    CERN Document Server

    Rangwala, Naseem; Wilson, Christine; Glenn, Jason; Kamenetzky, Julia; Spinoglio, Luigi

    2015-01-01

    We present Atacama Large Millimeter Array (ALMA) Cycle-0 observations of the CO J = 6-5 line in the advanced galaxy merger Arp 220. This line traces warm molecular gas, which dominates the total CO luminosity. The CO emission from the two nuclei is well resolved by the 0.39" x 0.22" beam and the exceptional sensitivity and spatial/spectral resolution reveal new complex features in the morphology and kinematics of the warm gas. The line profiles are asymmetric between the red and blue sides of the nuclear disks and the peak of the line emission is offset from the peak of the continuum emission in both nuclei by about 100 pc in the same direction. CO self-absorption is detected at the centers of both nuclei but it is much deeper in the eastern nucleus. We also clearly detect strong, highly redshifted CO absorption located near the southwest side of each nucleus. For the eastern nucleus, we reproduce the major line profile features with a simple kinematic model of a highly turbulent, rotating disk with a substan...

  16. \\emph{Ab initio} Quantum Monte Carlo simulation of the warm dense electron gas

    CERN Document Server

    Dornheim, Tobias; Malone, Fionn; Schoof, Tim; Sjostrom, Travis; Foulkes, W M C; Bonitz, Michael

    2016-01-01

    Warm dense matter is one of the most active frontiers in plasma physics due to its relevance for dense astrophysical objects as well as for novel laboratory experiments in which matter is being strongly compressed e.g. by high-power lasers. Its description is theoretically very challenging as it contains correlated quantum electrons at finite temperature---a system that cannot be accurately modeled by standard analytical or ground state approaches. Recently several breakthroughs have been achieved in the field of fermionic quantum Monte Carlo simulations. First, it was shown that exact simulations of a finite model system ($30 \\dots 100$ electrons) is possible that avoid any simplifying approximations such as fixed nodes [Schoof {\\em et al.}, Phys. Rev. Lett. {\\bf 115}, 130402 (2015)]. Second, a novel way to accurately extrapolate these results to the thermodynamic limit was reported by Dornheim {\\em et al.} [Phys. Rev. Lett. {\\bf 117}, 156403 (2016)]. As a result, now thermodynamic results for the warm dense...

  17. Recent progress of nuclear liquid gas phase transition

    Institute of Scientific and Technical Information of China (English)

    MA Yu-Gang; SHEN Wen-Qing

    2004-01-01

    Recent progress on nuclear liquid gas phase transition (LGPT) has been reviewed, especially for the signals of LGPT in heavy ion collisions. These signals include the power-law charge distribution, cluster emission rate, nuclear Zipf law, bimodality, the largest fluctuation of the fragments, △ -scaling, caloric curve, phase coexistence diagram, critical temperature, critical exponent analysis, negative specific heat capacity and spinodal instability etc. The systematic works of the authors on experimental and theoretical LGPT are also introduced.

  18. Minimization of steam requirements and enhancement of water-gas shift reaction with warm gas temperature CO2 removal

    Science.gov (United States)

    Siriwardane, Ranjani V; Fisher, II, James C

    2013-12-31

    The disclosure utilizes a hydroxide sorbent for humidification and CO.sub.2 removal from a gaseous stream comprised of CO and CO.sub.2 prior to entry into a water-gas-shift reactor, in order to decrease CO.sub.2 concentration and increase H.sub.2O concentration and shift the water-gas shift reaction toward the forward reaction products CO.sub.2 and H.sub.2. The hydroxide sorbent may be utilized for absorbtion of CO.sub.2 exiting the water-gas shift reactor, producing an enriched H.sub.2 stream. The disclosure further provides for regeneration of the hydroxide sorbent at temperature approximating water-gas shift conditions, and for utilizing H.sub.2O product liberated as a result of the CO.sub.2 absorption.

  19. Improvement of warm formability of Al-Mg sheet alloys containing coarse second-phase particles

    Institute of Scientific and Technical Information of China (English)

    Arne; K; DAHLE; Amit; K; GHOSH

    2009-01-01

    Several alloying elements involving Zr, Cu, Zn and Sc were added to Al-Mg sheet alloys in order to obtain an excellent combination of high strength and good high-temperature formability. Microstruc-tural examination showed that coarse intermetallic particles were formed in the microstructure and their amounts changed with variations of the alloying elements. During warm rolling of thermome-chanical treatments prior to warm deformation, the coarse particles initiated cracks, decreasing the warm formability. For healing the crack damage and further improving the warm formability, a process of hot isothermal press was developed and optimized to the sheet alloys. With this process, the biaxial stretch formability at 350℃ was improved by 22% for an aluminum alloy containing a large amount of coarse particles.

  20. Improvement of warm formability of Al-Mg sheet alloys containing coarse second-phase particles

    Institute of Scientific and Technical Information of China (English)

    HanLiang ZHU; Arne K DAHLE; Amit K GHOSH

    2009-01-01

    Several alloying elements involving Zr, Cu, Zn and Sc were added to AI-Mg sheet alloys in order to obtain an excellent combination of high strength and good high-temperature formability. Microstruc-tural examination showed that coarse intermetallic particles were formed in the microstructure and their amounts changed with variations of the alloying elements. During warm rolling of thermome-chanical treatments prior to warm deformation, the coarse particles initiated cracks, decreasing the warm formability. For healing the crack damage and further improving the warm formability, a process of hot isothermal press was developed and optimized to the sheet alloys. With this process, the biaxial stretch formability at 350"(2 was improved by 22% for an aluminum alloy containing a large amount of coarse particles.

  1. Organic molecules in ices and their release into the gas phase

    Science.gov (United States)

    Fayolle, Edith; Oberg, Karin I.; Garrod, Robin; van Dishoeck, Ewine; Rajappan, Mahesh; Bertin, Mathieu; Romanzin, Claire; Michaut, Xavier; Fillion, Jean-Hugues

    2015-08-01

    Organic molecules in the early stages of star formation are mainly produced in icy mantles surrounding interstellar dust grains. Identifying these complex organics and quantifying their abundance during the evolution of young stellar objects is of importance to understand the emergence of life. Simple molecules in ices, up to methanol in size, have been identified in the interstellar medium through their mid-IR vibrations, but band confusion prevents detections of more complex and less abundant organic molecules in interstellar ices. The presence of complex organics on grains can instead be indirectly inferred from observations of their rotational lines in the gas phase following ice sublimation.Thermal sublimation of protostellar ices occurs when icy grains flow toward a central protostar, resulting in the formation of a hot-core or a hot-corinos. The high degree of chemical complexity observed in these dense and warm regions can be the results of i) direct synthesis on the grains followed by desorption, but also to ii) the desorption of precursors from the ice followed by gas-phase chemistry. I will show how spatially resolved millimetric observations of hot cores and cooler protostellar environments, coupled to ice observations can help us pinpoint the ice or gas-phase origin of these organic species.Organic molecules have also recently been observed in cold environments where thermal desorption can be neglected. The presence of these cold molecules in the gas phase is most likely due to non-thermal desorption processes induced by, for e.g., photon-, electron-, cosmic-ray-irradiation, shock, exothermic reactions... I will present laboratory and observational efforts that push our current understanding of these non-thermal desorption processes and how they could be use to quantify the amount of organics in ices.

  2. SUBTASK 3.12 – GASIFICATION, WARM-GAS CLEANUP, AND LIQUID FUELS PRODUCTION WITH ILLINOIS COAL

    Energy Technology Data Exchange (ETDEWEB)

    Stanislowski, Joshua; Curran, Tyler; Henderson, Ann

    2014-06-30

    The goal of this project was to evaluate the performance of Illinois No. 6 coal blended with biomass in a small-scale entrained-flow gasifier and demonstrate the production of liquid fuels under three scenarios. The first scenario used traditional techniques for cleaning the syngas prior to Fischer–Tropsch (FT) synthesis, including gas sweetening with a physical solvent. In the second scenario, the CO2 was not removed from the gas stream prior to FT synthesis. In the third scenario, only warm-gas cleanup techniques were used, such that the feed gas to the FT unit contained both moisture and CO2. The results of the testing showed that the liquid fuels production from the FT catalyst was significantly hindered by the presence of moisture and CO2 in the syngas. Further testing would be needed to determine if this thermally efficient process is feasible with other FT catalysts. This subtask was funded through the EERC–U.S. Department of Energy (DOE) Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FC26-08NT43291. Nonfederal funding was provided by the Illinois Clean Coal Institute.

  3. Studies in Three Phase Gas-Liquid Fluidised Systems

    Science.gov (United States)

    Awofisayo, Joyce Ololade

    1992-01-01

    Available from UMI in association with The British Library. The work is a logical continuation of research started at Aston some years ago when studies were conducted on fermentations in bubble columns. The present work highlights typical design and operating problems that could arise in such systems as waste water, chemical, biochemical and petroleum operations involving three-phase, gas-liquid -solid fluidisation; such systems are in increasing use. It is believed that this is one of few studies concerned with "true" three-phase, gas-liquid-solid fluidised systems, and that this work will contribute significantly to closing some of the gaps in knowledge in this area. The research work was experimentally based and involved studies of the hydrodynamic parameters, phase holdups (gas and solid), particle mixing and segregation, and phase flow dynamics (flow regime and circulation patterns). The studies have focused particularly on the solid behaviour and the influence of properties of solids present on the above parameters in three-phase, gas-liquid-solid fluidised systems containing single particle components and those containing binary and ternary mixtures of particles. All particles were near spherical in shape and two particle sizes and total concentration levels were used. Experiments were carried out in two- and three-dimensional bubble columns. Quantitative results are presented in graphical form and are supported by qualitative results from visual studies which are also shown as schematic diagrams and in photographic form. Gas and solid holdup results are compared for air-water containing single, binary and ternary component particle mixtures. It should be noted that the criteria for selection of the materials used are very important if true three-phase fluidisation is to be achieved: this is very evident when comparing the results with those in the literature. The fluid flow and circulation patterns observed were assessed for validation of the generally

  4. Gas-phase SO2 in absorption towards massive protostars

    NARCIS (Netherlands)

    Keane, JV; Boonman, AMS; Tielens, AGGM; van Dishoeck, EF; Dishoeck, E. F.; Lahuis, F. van; Wright, C. M.; Doty, S. D.

    2001-01-01

    We present the first detection of the v(3) ro-vibrational band of gas-phase SO2 in absorption in the mid-infrared spectral region around 7.3 mum of a sample of deeply embedded massive protostars. Comparison with model spectra shows that the derived excitation temperatures correlate with previous C2H

  5. Unimolecular Gas-Phase Thermolysis of Ethyl Acetate

    DEFF Research Database (Denmark)

    Egsgaard, Helge; Carlsen, Lars

    1983-01-01

    The unimolecular gas-phase thermolysis of ethyl acetate has been investigated by the Flash-Vacuum-Thermolysis/Field-Ionization Mass Spectrometry (FVT/FI-MS) method in combination with Collision Activation (CA) mass spectrometry at 1253K. Two predominant reactions are observed: elimination...

  6. Gas-Phase Thermolysis of a Thioketen-S-Oxide

    DEFF Research Database (Denmark)

    Carlsen, Lars; Egsgaard, Helge; Schaumann, Ernst

    1980-01-01

    The unimolecular gas-phase thermolytic decomposition of 1,1,3,3-tetramethyl-2-thiocarbonylcyclohexane S-oxide (3) has been studied as a function of temperature by a flash vacuum thermolysis (f.v.t.) technique. The products detected are the carbenes (4) and (5), the ketone (6), the keten (7), the ...

  7. 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...

  8. The Dipeptide Ala-Gly in the Gas Phase

    Science.gov (United States)

    Bermúdez, Celina; Varela, Marcelino; Cabezas, Carlos; Peña, Isabel; Alonso, José L.

    2014-06-01

    The dipeptide Ala-Gly has been examined in gas phase by laser ablation molecular beam Fourier transform microwave (LA-MB-FTMW) spectroscopy in the frequency region 3-12 GHz. Three rotamers have been detected in the supersonic expansion. The quadrupole hyperfine structure of two 14N (I=1) nuclei has been totally resolved allowing the conclusive identification of one conformer.

  9. Experimental observables on nuclear liquid gas phase transition

    CERN Document Server

    Ma, Y G

    2006-01-01

    Progress on nuclear liquid gas phase transition (LGPT) or critical behavior has been simply reviewed and some signals of LGPT in heavy ion collisions, especially in NIMROD data, are focused. These signals include the power-law charge distribution, the largest fluctuation of the fragment observables, the nuclear Zipf law, caloric curve and critical exponent analysis etc.

  10. Precursor-Less Coating of Nanoparticles in the Gas Phase

    NARCIS (Netherlands)

    Pfeiffer, T.V.; Kedia, P.; Messing, M.E.; Valvo, M.; Schmidt-Ott, A.

    2015-01-01

    This article introduces a continuous, gas-phase method for depositing thin metallic coatings onto (nano)particles using a type of physical vapor deposition (PVD) at ambient pressure and temperature. An aerosol of core particles is mixed with a metal vapor cloud formed by spark ablation by passing th

  11. 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),

  12. How cold was it for Neanderthals moving to Central Europe during warm phases of the last glaciation?

    Science.gov (United States)

    Skrzypek, Grzegorz; Wiśniewski, Andrzej; Grierson, Pauline F.

    2011-03-01

    Precise estimates of mean annual temperature (MAT) for when Neanderthals occupied Central Europe are critical for understanding the role that climatic and associated environmental factors played in Neanderthal migrations and in their ultimate extinction. Neanderthals were continuously present in the relatively warm regions of southern and Western Europe in the Pleistocene but only temporarily settled Central Europe (CE), presumably because of its colder and less hospitable climate. Here, we present a new approach for more spatially and temporally accurate estimation of palaeotemperatures based on the stable oxygen isotope composition of phosphates extracted from animal teeth found at sites linked directly to concurrent Neanderthal occupation. We provide evidence that Neanderthals migrated along the Odra Valley of CE during warmer periods throughout the Upper Pleistocene. The MATs during these migrations were about 6.8 °C for the warm phase of Oxygen Isotope Stage OIS 5a-d (prior to the OIS4 cold event) at ˜115-74,000 yr BP and about 6.3 °C during the early OIS 3 warm phase ˜59-41,000 yr BP. Our results show that temperatures during these phases peaked 2-4 °C above longer term estimates from ice cores and pollen records. We argue that our approach can provide valuable insights into evaluating the role of climate in human migration patterns in the Pleistocene.

  13. Weak intermolecular interactions in gas-phase NMR

    CERN Document Server

    Garbacz, Piotr; Jackowski, Karol; Moszynski, Robert; Jaszunski, Michal

    2011-01-01

    Gas-phase NMR spectra demonstrating the effect of weak intermolecular forces on the NMR shielding constants of the interacting species are reported. We analyse the interaction of the molecular hydrogen isotopomers with He, Ne, and Ar, and the interaction in the He-CO_2 dimer. The same effects are studied for all these systems in the ab initio calculations. The comparison of the experimental and computed shielding constants is shown to depend strongly on the treatment of the bulk susceptibility effects, which determine in practice the pressure dependence of the experimental values. Best agreement of the results is obtained when the bulk susceptibility correction in rare gas solvents is evaluated from the analysis of the He-rare gas interactions, and when the shielding of deuterium in D_2-rare gas systems is considered.

  14. Conformation of alkanes in the gas phase and pure liquids.

    Science.gov (United States)

    Thomas, Laura L; Christakis, Theodore J; Jorgensen, William L

    2006-10-26

    Monte Carlo (MC) statistical mechanics simulations have been carried out for the homologous alkane series of n-butane through n-dodecane in the gas phase and for the pure liquids at 298 K and 1 atm using the OPLS-AA force field. The study addresses potential cumulative deviations of computed properties and potential conformational differences between the gas phase and pure liquids, for example, from self-solvation in the gas phase. The average errors in comparison with experimental data for the computed densities and heats of vaporization are modest at 0.7% and 6.9%, respectively. Also, the invariant gas and liquid-phase results for average end-to-end distances and percentages of trans conformations for each nonterminal C-C bond assert that the conformer populations are not altered upon transfer from the gas phase to the pure liquid for the n-alkanes in this size range. Average end-to-end distances were also computed from the results of conformational searches and corroborated the MC findings. Quantitatively, the OPLS-AA result for the trans population of the C3-C4 bond in n-undecane is in close agreement with the findings from (13)C NMR experiments. Finally, previous work on determining the shortest n-alkane that does not have an all-trans global energy minimum has been extended. The smallest n-alkane with a hairpin geometry that is lower in energy than the all-trans conformer occurs for C(22)H(46) with OPLS-AA, though with a correction for GG sequences, the true turning point is likely in the C(16)-C(18) range.

  15. 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 liqu...

  16. 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...

  17. Phase transition with an isospin dependent lattice gas model

    Energy Technology Data Exchange (ETDEWEB)

    Gulminelli, F. [Caen Univ., 14 (France). Lab. de Physique Corpusculaire; Chomaz, Ph. [Grand Accelerateur National d`Ions Lourds (GANIL), 14 - Caen (France)

    1998-10-01

    The nuclear liquid-gas phase transition is studied within an isospin dependent Lattice Gas Model in the canonical ensemble. Finite size effects on thermodynamical variables are analyzed by a direct calculation of the partition function, and it is shown that phase coexistence and phase transition are relevant concepts even for systems of a few tens of particles. Critical exponents are extracted from the behaviour of the fragment production yield as a function of temperature by means of a finite size scaling. The result is that in a finite system well defined critical signals can be found at supercritical (Kertesz line) as well as subcritical densities. For isospin asymmetric systems it is shown that, besides the modification of the critical temperature, isotopic distributions can provide an extra observable to identify and characterize the transition. (author) 21 refs.

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

    Science.gov (United States)

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

    2015-01-01

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

  19. Dense gas in the Galactic central molecular zone is warm and heated by turbulence

    CERN Document Server

    Ginsburg, Adam; Ao, Yiping; Riquelme, Denise; Kauffmann, Jens; Pillai, Thushara; Mills, Elisabeth A C; Requena-Torres, Miguel A; Immer, Katharina; Testi, Leonardo; Ott, Juergen; Bally, John; Battersby, Cara; Darling, Jeremy; Aalto, Susanne; Stanke, Thomas; Kendrew, Sarah; Kruijssen, J M Diederik; Longmore, Steven; Dale, James; Guesten, Rolf; Menten, Karl M

    2016-01-01

    The Galactic center is the closest region in which we can study star formation under extreme physical conditions like those in high-redshift galaxies. We measure the temperature of the dense gas in the central molecular zone (CMZ) and examine what drives it. We mapped the inner 300 pc of the CMZ in the temperature-sensitive J = 3-2 para-formaldehyde (p-H$_2$CO) transitions. We used the $3_{2,1} - 2_{2,0} / 3_{0,3} - 2_{0,2}$ line ratio to determine the gas temperature in $n \\sim 10^4 - 10^5 $cm$^{-3}$ gas. We have produced temperature maps and cubes with 30" and 1 km/s resolution and published all data in FITS form. Dense gas temperatures in the Galactic center range from ~60 K to > 100 K in selected regions. The highest gas temperatures T_G > 100 K are observed around the Sgr B2 cores, in the extended Sgr B2 cloud, the 20 km/s and 50 km/s clouds, and in "The Brick" (G0.253+0.016). We infer an upper limit on the cosmic ray ionization rate ${\\zeta}_{CR} < 10^{-14}$ 1/s. The dense molecular gas temperature o...

  20. A jet-induced outflow of warm gas in 3C 293

    CERN Document Server

    Emonts, B H C; Tadhunter, C N; Oosterloo, T A; Holt, J; Van der Hulst, J M

    2005-01-01

    Using long slit emission-line spectra we detect a fast outflow of ionized gas, with velocities up to 1000 km/s, in the nearby powerful radio galaxy 3C 293 (z = 0.045). The fast outflow is located about 1 kpc east of the nucleus, in a region of enhanced radio emission due to the presence of a distorted radio jet. We present results that indicate that this fast outflow is caused by a jet-ISM interaction. The kinematics of the outflowing ionized gas are very similar to those of a fast outflow of neutral hydrogen gas in this galaxy, suggesting that both outflows are the result of the same driving mechanism. While the mass of the outflowing ionized gas is about 1 x 10e5 M_sun, the total HI mass involved in the neutral outflow is about 100 times higher (10e7 M_sun). This shows that, despite the high energies that must be involved in driving the outflow, most of the gas remains, or becomes again, neutral. Other outflows of ionized gas, although not as pronounced as in the region of the enhanced radio emission, are a...

  1. Unified first principles description from warm dense matter to ideal ionized gas plasma: electron-ion collisions induced friction.

    Science.gov (United States)

    Dai, Jiayu; Hou, Yong; Yuan, Jianmin

    2010-06-18

    Electron-ion interactions are central to numerous phenomena in the warm dense matter (WDM) regime and at higher temperature. The electron-ion collisions induced friction at high temperature is introduced in the procedure of ab initio molecular dynamics using the Langevin equation based on density functional theory. In this framework, as a test for Fe and H up to 1000 eV, the equation of state and the transition of electronic structures of the materials with very wide density and temperature can be described, which covers a full range of WDM up to high energy density physics. A unified first principles description from condensed matter to ideal ionized gas plasma is constructed.

  2. Characterizing the drivers of seedling leaf gas exchange responses to warming and altered precipitation: indirect and direct effects

    Science.gov (United States)

    Smith, Nicholas G.; Pold, Grace; Goranson, Carol; Dukes, Jeffrey S.

    2016-01-01

    Anthropogenic forces are projected to lead to warmer temperatures and altered precipitation patterns globally. The impact of these climatic changes on the uptake of carbon by the land surface will, in part, determine the rate and magnitude of these changes. However, there is a great deal of uncertainty in how terrestrial ecosystems will respond to climate in the future. Here, we used a fully factorial warming (four levels) by precipitation (three levels) manipulation experiment in an old-field ecosystem in the northeastern USA to examine the impact of climatic changes on leaf carbon exchange in five species of deciduous tree seedlings. We found that photosynthesis generally increased in response to increasing precipitation and decreased in response to warming. Respiration was less sensitive to the treatments. The net result was greater leaf carbon uptake in wetter and cooler conditions across all species. Structural equation modelling revealed the primary pathway through which climate impacted leaf carbon exchange. Net photosynthesis increased with increasing stomatal conductance and photosynthetic enzyme capacity (Vcmax), and decreased with increasing respiration of leaves. Soil moisture and leaf temperature at the time of measurement most heavily influenced these primary drivers of net photosynthesis. Leaf respiration increased with increasing soil moisture, leaf temperature, and photosynthetic supply of substrates. Counter to the soil moisture response, respiration decreased with increasing precipitation amount, indicating that the response to short- (i.e. soil moisture) versus long-term (i.e. precipitation amount) water stress differed, possibly as a result of changes in the relative amounts of growth and maintenance demand for respiration over time. These data (>500 paired measurements of light and dark leaf gas exchange), now publicly available, detail the pathways by which climate can impact leaf gas exchange and could be useful for testing assumptions in

  3. Characterizing the drivers of seedling leaf gas exchange responses to warming and altered precipitation: indirect and direct effects.

    Science.gov (United States)

    Smith, Nicholas G; Pold, Grace; Goranson, Carol; Dukes, Jeffrey S

    2016-01-01

    Anthropogenic forces are projected to lead to warmer temperatures and altered precipitation patterns globally. The impact of these climatic changes on the uptake of carbon by the land surface will, in part, determine the rate and magnitude of these changes. However, there is a great deal of uncertainty in how terrestrial ecosystems will respond to climate in the future. Here, we used a fully factorial warming (four levels) by precipitation (three levels) manipulation experiment in an old-field ecosystem in the northeastern USA to examine the impact of climatic changes on leaf carbon exchange in five species of deciduous tree seedlings. We found that photosynthesis generally increased in response to increasing precipitation and decreased in response to warming. Respiration was less sensitive to the treatments. The net result was greater leaf carbon uptake in wetter and cooler conditions across all species. Structural equation modelling revealed the primary pathway through which climate impacted leaf carbon exchange. Net photosynthesis increased with increasing stomatal conductance and photosynthetic enzyme capacity (Vcmax), and decreased with increasing respiration of leaves. Soil moisture and leaf temperature at the time of measurement most heavily influenced these primary drivers of net photosynthesis. Leaf respiration increased with increasing soil moisture, leaf temperature, and photosynthetic supply of substrates. Counter to the soil moisture response, respiration decreased with increasing precipitation amount, indicating that the response to short- (i.e. soil moisture) versus long-term (i.e. precipitation amount) water stress differed, possibly as a result of changes in the relative amounts of growth and maintenance demand for respiration over time. These data (>500 paired measurements of light and dark leaf gas exchange), now publicly available, detail the pathways by which climate can impact leaf gas exchange and could be useful for testing assumptions in

  4. Gas-Phase Covalent And Non-Covalent Ion/ion Chemistry Of Biological Macromolecules

    OpenAIRE

    Stutzman, John Robert

    2013-01-01

    Gas-phase ion/ion chemistry involves the interaction of oppositely charged ions inside of the mass spectrometer. During this gas-phase chemistry, particle transfer (i.e., proton and electron) or synthesis can occur at rapid reaction rates. Particle transfer represents a mature area of ion/ion chemistry, while selective covalent modification represents a fairly new area of gas-phase chemistry. Gas-phase covalent chemistry is based on traditional solution phase organic chemistry. The work de...

  5. HIFI observations of warm gas in DR21 : Shock versus radiative heating

    NARCIS (Netherlands)

    Ossenkopf, Volker; Roellig, M.; Simon, R.; Schneider, N.; Okada, Y.; Stutzki, J.; Gerin, M.; Akyilmaz, M.; Beintema, D; Benz, A. O.; Berne, O.; Boulanger, F.; Bumble, B.; Coeur-Joly, O.; Dedes, C.; Diez-Gonzalez, M. C.; France, K.; Fuente, A.; Gallego, J. D.; Goicoechea, J. R.; Guesten, R.; Harris, A.; Higgins, R.; Jackson, B.; Jarchow, C.; Joblin, C.; Klein, T.; Kramer, C.; Lord, S.; Martin, P.; Martin-Pintado, J.; Mookerjea, B.; Neufeld, D. A.; Phillips, T.; Rizzo, J. R.; van der Tak, F. F. S.; Teyssier, D.; Yorke, H.

    2010-01-01

    Context. The molecular gas in the DR21 massive star formation region is known to be affected by the strong UV field from the central star cluster and by a fast outflow creating a bright shock. The relative contribution of both heating mechanisms is the matter of a long debate. Aims. By better sampli

  6. Observations of warm molecular gas and kinematics in the disc around HD 100546

    NARCIS (Netherlands)

    Panic, O.; van Dishoeck, E. F.; Hogerheijde, M. R.; Belloche, A.; Guesten, R.; Boland, W.; Barychev, Andrei

    Context. The disc around the Herbig Ae/Be star HD 100546 is one of the most extensively studied discs in the southern sky. Although there is a wealth of information about its dust content and composition, not much is known about its gas and large-scale kinematics. Many recent results have stressed

  7. Efimov-driven phase transitions of the unitary Bose gas.

    Science.gov (United States)

    Piatecki, Swann; Krauth, Werner

    2014-03-20

    Initially predicted in nuclear physics, Efimov trimers are bound configurations of three quantum particles that fall apart when any one of them is removed. They open a window into a rich quantum world that has become the focus of intense experimental and theoretical research, as the region of 'unitary' interactions, where Efimov trimers form, is now accessible in cold-atom experiments. Here we use a path-integral Monte Carlo algorithm backed up by theoretical arguments to show that unitary bosons undergo a first-order phase transition from a normal gas to a superfluid Efimov liquid, bound by the same effects as Efimov trimers. A triple point separates these two phases and another superfluid phase, the conventional Bose-Einstein condensate, whose coexistence line with the Efimov liquid ends in a critical point. We discuss the prospects of observing the proposed phase transitions in cold-atom systems.

  8. Simulating confined swirling gas-solid two phase jet

    Institute of Scientific and Technical Information of China (English)

    金晗辉; 夏钧; 樊建人; 岑可法

    2002-01-01

    A k-ε-kp multi-fluid model was used to simulate confined swirling gas-solid two phase jet comprised of particle-laden flow from a center tube and a swirling air stream entering the test section from the coaxial annular. After considering the drag force between the two phases and gravity, a series of numerical simulations of the two-phase flow of 30μm, 45μm, 60μm diameter particles were performed on a x×r=50×50 mesh grid respectively. The results showed that the k-ε-kp multi-fluid model can be applied to predict moderate swirling multi-phase flow. When the particle diameter is large, the collision of the particles with the wall will influence the prediction accuracy. The bigger the diameter of the particles, the stronger the collision with the wall, and the more obvious the difference between measured and calculated results.

  9. Phase diagram of a bulk 1d lattice Coulomb gas

    Science.gov (United States)

    Démery, V.; Monsarrat, R.; Dean, D. S.; Podgornik, R.

    2016-01-01

    The exact solution, via transfer matrix, of the simple one-dimensional lattice Coulomb gas (1d LCG) model can reproduce peculiar features of ionic liquid capacitors, such as overscreening, layering, and camel- and bell-shaped capacitance curves. Using the same transfer matrix method, we now compute the bulk properties of the 1d LCG in the constant voltage ensemble. We unveil a phase diagram with rich structure exhibiting low-density disordered and high-density ordered phases, separated by a first-order phase transition at low temperature; the solid state at full packing can be ordered or not, depending on the temperature. This phase diagram, which is strikingly similar to its three-dimensional counterpart, also sheds light on the behaviour of the confined system.

  10. Spectroscopic studies of cold, gas-phase biomolecular ions

    Science.gov (United States)

    Rizzo, Thomas R.; Stearns, Jaime A.; Boyarkin, Oleg V.

    While the marriage of mass spectrometry and laser spectroscopy is not new, developments over the last few years in this relationship have opened up new horizons for the spectroscopic study of biological molecules. The combination of electrospray ionisation for producing large biological molecules in the gas phase together with cooled ion traps and multiple-resonance laser schemes are allowing spectroscopic investigation of individual conformations of peptides with more than a dozen amino acids. Highly resolved infrared spectra of single conformations of such species provide important benchmarks for testing the accuracy of theoretical calculations. This review presents a number of techniques employed in our laboratory and in others for measuring the spectroscopy of cold, gas-phase protonated peptides. We show examples that demonstrate the power of these techniques and evaluate their extension to still larger biological molecules.

  11. Preconcentration in gas or liquid phases using adsorbent thin films

    Directory of Open Access Journals (Sweden)

    Antonio Pereira Nascimento Filho

    2006-03-01

    Full Text Available The possibility of preconcentration on microchannels for organic compounds in gas or liquid phases was evaluated. Microstructures with different geometries were mechanically machined using poly(methyl methacrylate - PMMA as substrates and some cavities were covered with cellulose. The surfaces of the microchannels were modified by plasma deposition of hydrophilic or hydrophobic films using 2-propanol and hexamethyldisilazane (HMDS, respectively. Double layers of HMDS + 2-propanol were also used. Adsorption characterization was made by Quartz Crystal Measurements (QCM technique using reactants in a large polarity range that showed the adsorption ability of the structures depends more on the films used than on the capillary phenomena. Cellulose modified by double layer film showed a high retention capacity for all gaseous compounds tested. However, structures without plasma deposition showed low retention capacity. Microchannels modified with double layers or 2-propanol plasma films showed higher retention than non-modified ones on gas or liquid phase.

  12. 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......-sensitivity reactors. We demonstrate that the system exhibits great versatility in terms of photocatalyst, illumination source and target reaction.......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...

  13. Substrate-free gas-phase synthesis of graphene sheets.

    Science.gov (United States)

    Dato, Albert; Radmilovic, Velimir; Lee, Zonghoon; Phillips, Jonathan; Frenklach, Michael

    2008-07-01

    We present a novel method for synthesizing graphene sheets in the gas phase using a substrate-free, atmospheric-pressure microwave plasma reactor. Graphene sheets were synthesized by passing liquid ethanol droplets into an argon plasma. The graphene sheets were characterized by transmission electron microscopy, electron energy loss spectroscopy, Raman spectroscopy, and electron diffraction. We prove that graphene can be created without three-dimensional materials or substrates and demonstrate a possible avenue to the large-scale synthesis of graphene.

  14. The Nucleoside Uridine Isolated in the Gas Phase**

    Science.gov (United States)

    Peña, Isabel; Cabezas, Carlos; Alonso, José L.

    2016-01-01

    Herein we present the first experimental observation of the isolated nucleoside uridine, placed in the gas phase by laser ablation and characterized by Fourier transform microwave techniques. Free from the bulk effects of their native environments, anti/C2’-endo-g+ conformation has been revealed as the most stable form of uridine. Intramolecular hydrogen bonds involving uracil and ribose moieties have been found to play an important role in the stabilization of the nucleoside. PMID:25683559

  15. The Influence of Mixing in High Temperature Gas Phase Reactions

    DEFF Research Database (Denmark)

    Østberg, Martin

    1996-01-01

    of NH3 by formation of NH2 and NH radicals.Mixing in reacting gas phase systems is described by an empirical mixing model (the droplet diffusion model). The mixing process is separated into macro- and micromixing. The macromixing is assumed to be ideal while the micromixing is modelled by molecular......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...... 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...

  16. Gas-Phase Acidities of Phosphorylated Amino Acids.

    Science.gov (United States)

    Stover, Michele L; Plummer, Chelsea E; Miller, Sean R; Cassady, Carolyn J; Dixon, David A

    2015-11-19

    Gas-phase acidities and heats of formation have been predicted at the G3(MP2)/SCRF-COSMO level of theory for 10 phosphorylated amino acids and their corresponding amides, including phospho-serine (pSer), -threonine (pThr), and -tyrosine (pTyr), providing the first reliable set of these values. The gas-phase acidities (GAs) of the three named phosphorylated amino acids and their amides have been determined using proton transfer reactions in a Fourier transform ion cyclotron mass spectrometer. Excellent agreement was found between the experimental and predicted GAs. The phosphate group is the deprotonation site for pSer and pThr and deprotonation from the carboxylic acid generated the lowest energy anion for pTyr. The infrared spectra were calculated for six low energy anions of pSer, pThr, and pTyr. For deprotonated pSer and pThr, good agreement is found between the experimental IRMPD spectra and the calculated spectra for our lowest energy anion structure. For pTyr, the IR spectra for a higher energy phosphate deprotonated structure is in good agreement with experiment. Additional experiments tested electrospray ionization (ESI) conditions for pTyr and determined that variations in solvent, temperature, and voltage can result in a different experimental GA value, indicating that ESI conditions affect the conformation of the pTyr anion.

  17. Cold dust but warm gas in the unusual elliptical galaxy NGC 4125

    CERN Document Server

    Wilson, C D; Foyle, K; Parkin, T J; Cooper, E Mentuch; Roussel, H; Sauvage, M; Smith, M W L; Baes, M; Bendo, G; Boquien, M; Boselli, A; Ciesla, L; Clements, D L; Cooray, A; De Looze, I; Galametz, M; Gear, W; Lebouteiller, V; Madden, S; Pereira-Santaella, M; Remy-Ruyer, A

    2013-01-01

    Data from the Herschel Space Observatory have revealed an unusual elliptical galaxy, NGC 4125, which has strong and extended submillimeter emission from cold dust but only very strict upper limits to its CO and HI emission. Depending on the dust emissivity, the total dust mass is 2-5x10^6 Msun. While the neutral gas-to-dust mass ratio is extremely low (= 10^4 K faster than the dust is evaporated. If galaxies like NGC 4125, where the far-infrared emission does not trace neutral gas in the usual manner, are common at higher redshift, this could have significant implications for our understanding of high redshift galaxies and galaxy evolution.

  18. Homogeneous gas phase models of relaxation kinetics in neon afterglow

    Directory of Open Access Journals (Sweden)

    Marković Vidosav Lj.

    2007-01-01

    Full Text Available The homogeneous gas phase models of relaxation kinetics (application of the gas phase effective coefficients to represent surface losses are applied for the study of charged and neutral active particles decay in neon afterglow. The experimental data obtained by the breakdown time delay measurements as a function of the relaxation time td (τ (memory curve is modeled in early, as well as in late afterglow. The number density decay of metastable states can explain neither the early, nor the late afterglow kinetics (memory effect, because their effective lifetimes are of the order of milliseconds and are determined by numerous collision quenching processes. The afterglow kinetics up to hundreds of milliseconds is dominated by the decay of molecular neon Ne2 + and nitrogen ions N2 + (present as impurities and the approximate value of N2 + ambipolar diffusion coefficient is determined. After the charged particle decay, the secondary emitted electrons from the surface catalyzed excitation of nitrogen atoms on the cathode determine the breakdown time delay down to the cosmic rays and natural radioactivity level. Due to the neglecting of number density spatial profiles, the homogeneous gas phase models give only the approximate values of the corresponding coefficients, but reproduce correctly other characteristics of afterglow kinetics from simple fits to the experimental data.

  19. HIFI observations of warm gas in DR21: Shock versus radiative heating

    CERN Document Server

    Ossenkopf, V; Simon, R; Schneider, N; Okada, Y; Stutzki, J; Gerin, M; Akyilmaz, M; Beintema, D; Benz, A O; Berne, O; Boulanger, F; Bumble, B; Coeur-Joly, O; Dedes, C; Diez-Gonzalez, M C; France, K; Fuente, A; Gallego, J D; Goicoechea, J R; Güsten, R; Harris, A; Higgins, R; Jackson, B; Jarchow, C; Joblin, C; Klein, T; Kramer, C; Lord, S; Martin, P; Martin-Pintado, J; Mookerjea, B; Neufeld, D A; Phillips, T; Rizzo, J R; van der Tak, F F S; Teyssier, D; Yorke, H

    2010-01-01

    The molecular gas in the DR21 massive star formation region is known to be affected by the strong UV field from the central star cluster and by a fast outflow creating a bright shock. The relative contribution of both heating mechanisms is the matter of a long debate. By better sampling the excitation ladder of various tracers we provide a quantitative distinction between the different heating mechanisms. HIFI observations of mid-J transitions of CO and HCO+ isotopes allow us to bridge the gap in excitation energies between observations from the ground, characterizing the cooler gas, and existing ISO LWS spectra, constraining the properties of the hot gas. Comparing the detailed line profiles allows to identify the physical structure of the different components. In spite of the known shock-excitation of H2 and the clearly visible strong outflow, we find that the emission of all lines up to > 2 THz can be explained by purely radiative heating of the material. However, the new Herschel/HIFI observations reveal ...

  20. Extended Warm Gas in the ULIRG Mrk273: Galactic Outflows and Tidal Debris

    CERN Document Server

    Zaurin, Javier Rodriguez; Rupke, David S N; Veilleux, Sylvain; Spoon, Henrik W W; Chiaberge, Marco; Almeida, Cristina Ramos; Batcheldor, Dan; Sparks, William B

    2014-01-01

    We present new HST ACS medium- and narrow-band images and long-slit, optical (4000 - 7200A) spectra obtained using the Isaac Newton Telescope (INT) on La Palma, of the merging system Mrk273. The HST observations sample the [OIII]4959,5007 emission from the galaxy and the nearby continuum. The images show that the morphologies of the extended continuum and the ionised gas emission from the galaxy are decoupled, extending almost perpendicular to each other. In particular, we detect for the first time a spectacular structure of ionised gas in the form of filaments extending ~23 kpc to the east of the nuclear region. The quiescent ionised gas kinematics at these locations suggests that these filaments are tidal debris left over from a secondary merger event that are illuminated by an AGN in the nuclear regions. The images also reveal a complex morphology in the nuclear region of the galaxy for both the continuum and the [OIII] emission. Kinematic disturbance, in the form of broad (FWHM > 500 km s-1) and/or strong...

  1. FIR Spectroscopy of the Galactic Center: Hot and Warm Molecular Gas

    Science.gov (United States)

    Goicoechea, Javier R.; Etxaluze, Mireya; Cernicharo, José; Gerin, Maryvonne; Pety, Jerome

    2017-01-01

    The angular resolution (~10'') achieved by the Herschel Space Observatory ~3.5 m telescope at FIR wavelengths allowed us to roughly separate the emission toward the inner parsec of the galaxy (the central cavity) from that of the surrounding circumnuclear disk (the CND). The FIR spectrum toward Sgr A* is dominated by intense [O III], [O I], [C II], [N III], [N II], and [C I] fine-structure lines (in decreasing order of luminosity) arising in gas irradiated by the strong UV field from the central stellar cluster. The high-J CO rotational line intensities observed at the interface between the inner CND and the central cavity are consistent with a hot isothermal component at T k ~ 103.1 K and n(H2)~ 104 cm-3. They are also consistent with a distribution of lower temperatures at higher gas density, with most CO at T k~300 K. The hot CO component (either the bulk of the CO column density or just a small fraction depending on the above scenario) likely results from a combination of UV and shock-driven heating. If UV-irradiated and heated dense clumps do not exist, shocks likely dominate the heating of the hot molecular gas component. Although this component is beam diluted in our FIR observations, it may be resolved at much higher angular resolution. An ALMA project using different molecular tracers to characterize UV-irradiated shocks in the innermost layers of the CND is ongoing.

  2. Interstellar Cloud Formation through Aggregation of Cold Blobs in a Two-Phase Gas Mixture

    Science.gov (United States)

    Kamaya, Hideyuki

    1997-05-01

    We propose a new formation scenario for interstellar clouds through the aggregation of dense cold blobs (phase II [PII]), which drift in a diffuse warm medium (phase I [PI]). We examine how important it is that there exist numerous PII blobs when the properties of such a two-phase flow are studied. First, we solve a one-dimensional shock-tube problem and find that the shock wave in the mixture is considerably damped because of the drag force between the two phases. This is because the PII blobs are left behind the shock front, since their inertia is larger than that of PI, thus suppressing large spatial variations of PI gas via the drag force. The PII blobs thus play the role of anchors. Therefore, mass aggregation by shocks may be ineffective in a two-phase medium. However, the PII blobs can still aggregate through a kind of fluid dynamical instability. We next suppose that the PI gas is accelerated upward by shocks against downward gravity, while the PII blobs are at rest because of balance between the drag force due to PI and gravity. If we put a positive perturbation in the number density of PII blobs, the upward PI flow above the perturbation is decelerated by the enhanced drag force, and the velocity difference between PI and PII is thereby reduced. Then the PII blobs above the perturbation are accelerated downward, since the gravity on PII now dominates the reduced drag force. As a result, the blobs will fall onto this perturbed region, and this region becomes denser and denser. This is the mechanism of the instability. Therefore, we expect efficient cloud formation by this instability in spiral arms, even when galactic shocks are extremely damped.

  3. 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...... 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......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...

  4. Fighting global warming by greenhouse gas removal: destroying atmospheric nitrous oxide thanks to synergies between two breakthrough technologies.

    Science.gov (United States)

    Ming, Tingzhen; de Richter, Renaud; Shen, Sheng; Caillol, Sylvain

    2016-04-01

    Even if humans stop discharging CO2 into the atmosphere, the average global temperature will still increase during this century. A lot of research has been devoted to prevent and reduce the amount of carbon dioxide (CO2) emissions in the atmosphere, in order to mitigate the effects of climate change. Carbon capture and sequestration (CCS) is one of the technologies that might help to limit emissions. In complement, direct CO2 removal from the atmosphere has been proposed after the emissions have occurred. But, the removal of all the excess anthropogenic atmospheric CO2 will not be enough, due to the fact that CO2 outgases from the ocean as its solubility is dependent of its atmospheric partial pressure. Bringing back the Earth average surface temperature to pre-industrial levels would require the removal of all previously emitted CO2. Thus, the atmospheric removal of other greenhouse gases is necessary. This article proposes a combination of disrupting techniques to transform nitrous oxide (N2O), the third most important greenhouse gas (GHG) in terms of current radiative forcing, which is harmful for the ozone layer and possesses quite high global warming potential. Although several scientific publications cite "greenhouse gas removal," to our knowledge, it is the first time innovative solutions are proposed to effectively remove N2O or other GHGs from the atmosphere other than CO2.

  5. Accurate exchange-correlation energies for the warm dense electron gas

    OpenAIRE

    Malone, FD; Blunt, NS; Brown, EW; Lee, DKK; Spencer, JS; Foulkes, WMC; Shepherd, JJ

    2016-01-01

    Density matrix quantum Monte Carlo (DMQMC) is used to sample exact-on-average $N$-body density matrices for uniform electron gas systems of up to 10$^{124}$ matrix elements via a stochastic solution of the Bloch equation. The results of these calculations resolve a current debate over the accuracy of the data used to parametrize finite-temperature density functionals. Exchange-correlation energies calculated using the real-space restricted path-integral formalism and the $k$-space configurati...

  6. Effects of viscous pressure on warm inflationary generalized cosmic Chaplygin gas model

    Energy Technology Data Exchange (ETDEWEB)

    Sharif, M.; Saleem, Rabia, E-mail: msharif.math@pu.edu.pk, E-mail: rabiasaleem1988@yahoo.com [Department of Mathematics, University of the Punjab, Quaid-e-Azam Campus, Lahore-54590 (Pakistan)

    2014-12-01

    This paper is devoted to study the effects of bulk viscous pressure on an inflationary generalized cosmic Chaplygin gas model using FRW background. The matter contents of the universe are assumed to be inflaton and imperfect fluid. We evaluate inflaton fields, potentials and entropy density for variable as well as constant dissipation and bulk viscous coefficients in weak as well as high dissipative regimes during intermediate era. In order to discuss inflationary perturbations, we evaluate entropy density, scalar (tensor) power spectra, their corresponding spectral indices, tensor-scalar ratio and running of spectral index in terms of inflaton which are constrained using recent Planck, WMAP7 and Bicep2 probes.

  7. The MASSIVE Survey. VI. The Spatial Distribution and Kinematics of Warm Ionized Gas in the Most Massive Local Early-type Galaxies

    Science.gov (United States)

    Pandya, Viraj; Greene, Jenny E.; Ma, Chung-Pei; Veale, Melanie; Ene, Irina; Davis, Timothy A.; Blakeslee, John P.; Goulding, Andy D.; McConnell, Nicholas J.; Nyland, Kristina; Thomas, Jens

    2017-03-01

    We present the first systematic investigation of the existence, spatial distribution, and kinematics of warm ionized gas as traced by the [O ii] 3727 Å emission line in 74 of the most massive galaxies in the local universe. All of our galaxies have deep integral-field spectroscopy from the volume- and magnitude-limited MASSIVE survey of early-type galaxies with stellar mass {log}({M}* /{M}ȯ )> 11.5 (M K sample, we detect warm ionized gas in 28, which yields a global detection fraction of 38 ± 6% down to a typical [O ii] equivalent width limit of 2 Å. MASSIVE fast rotators are more likely to have gas than MASSIVE slow rotators with detection fractions of 80 ± 10% and 28 ± 6%, respectively. The spatial extents span a wide range of radii (0.6–18.2 kpc; 0.1–4R e ), and the gas morphologies are diverse, with 17/28 ≈ 61 ± 9% being centrally concentrated, 8/28 ≈ 29 ± 9% exhibiting clear rotation out to several kiloparsecs, and 3/28 ≈ 11 ± 6% being extended but patchy. Three out of four fast rotators show kinematic alignment between the stars and gas, whereas the two slow rotators with robust kinematic measurements available exhibit kinematic misalignment. Our inferred warm ionized gas masses are roughly ∼105 M ⊙. The emission line ratios and radial equivalent width profiles are generally consistent with excitation of the gas by the old underlying stellar population. We explore different gas origin scenarios for MASSIVE galaxies and find that a variety of physical processes are likely at play, including internal gas recycling, cooling out of the hot gaseous halo, and gas acquired via mergers.

  8. Screening phase transitions in two-dimensional Coulomb gas

    Energy Technology Data Exchange (ETDEWEB)

    Gallavotti, G.; Nicolo, F.

    1984-07-01

    Infrared properties of a Coulomb gas in two dimensions and with fixed ultraviolet cutoff are studied. The existence of infinitely many thresholds Tu = 1/Ke 1/8 pi (1-1/zu)sup-1 in the interval of temperatures 1/Ke1/8 pi, 1/4 pi, where K is the Boltzmann constant and e = /e/ is the charge of the positive particle, is proved. Such thresholds are conjectured to reflect a sequence of transitions from a pure multipole phase (the Koesterlitz-Thouless region) to the plasma phase via an infinite number of intermediate phases. Mathematically the free energy becomes more and more differentiable as a function of the activity lambda, near lambda = 0, as the temperature decreases.

  9. FIR Spectroscopy of the Galactic Center: Hot and Warm Molecular Gas

    CERN Document Server

    Goicoechea, J R; Cernicharo, J; Gerin, M; Pety, J

    2016-01-01

    The angular resolution (~10") achieved by the Herschel Space Observatory ~3.5m telescope at FIR wavelengths allowed us to roughly separate the emission toward the inner parsec of the galaxy (the central cavity) from that of the surrounding circumnuclear disk (the CND). The FIR spectrum toward SgrA* is dominated by intense [Oiii], [Oi], [Cii], [Niii], [Nii], and [Ci] fine-structure lines (in decreasing order of luminosity) arising in gas irradiated by the strong UV field from the central stellar cluster. The high-J CO rotational line intensities observed at the interface between the inner CND and the central cavity are consistent with a hot isothermal component at T~10^{3.1} K and n(H_2)~10^4 cm^{-3}. They are also consistent with a distribution of lower temperatures at higher gas density, with most CO at T~300 K. The hot CO component (either the bulk of the CO column density or just a small fraction depending on the above scenario) likely results from a combination of UV and shock-driven heating. Although thi...

  10. NGC 604, the Scaled OB Association (SOBA) Prototype. I: Spatial Distribution of the Different Gas Phases and Attenuation by Dust

    CERN Document Server

    Maíz-Appelániz, J; Mas-Hesse, J M

    2004-01-01

    We have analyzed HST and ground-based data to characterize the different gas phases and their interaction with the MYC in NGC 604, a GHR in M33. The warm ionized gas is made out of two components: a high-excitation, high-surface brightness H II surface located at the faces of the molecular clouds directly exposed to the ionizing radiation of the central SOBA; and a low-excitation, low-surface brightness halo that extends to much larger distances from the ionizing stars. The cavities created by the winds and SN explosions are filled with X-ray-emitting coronal gas. The nebular lines emitted by the warm gas experience a variable attenuation as a consequence of the dust distribution, which is patchy in the plane of the sky and with clouds interspersed among emission-line sources in the same line of sight. The optical depth at H alpha as measured from the ratio of the thermal radio continuum to H alpha shows a very good correlation with the total CO (1-0) column, indicating that most of the dust resides in the co...

  11. Star formation and gas phase history of the cosmic web

    Science.gov (United States)

    Snedden, Ali; Coughlin, Jared; Phillips, Lara Arielle; Mathews, Grant; Suh, In-Saeng

    2016-01-01

    We present a new method of tracking and characterizing the environment in which galaxies and their associated circumgalactic medium evolve. We have developed a structure finding algorithm that uses the rate of change of the density gradient to self-consistently parse and follow the evolution of groups/clusters, filaments and voids in large-scale structure simulations. We use this to trace the complete evolution of the baryons in the gas phase and the star formation history within each structure in our simulated volume. We vary the structure measure threshold to probe the complex inner structure of star-forming regions in poor clusters, filaments and voids. We find that the majority of star formation occurs in cold, condensed gas in filaments at intermediate redshifts (z ˜ 3). We also show that much of the star formation above a redshift z = 3 occurs in low-contrast regions of filaments, but as the density contrast increases at lower redshift, star formation switches to the high-contrast regions, or inner parts, of filaments. Since filaments bridge the void and cluster regions, it suggests that the majority of star formation occurs in galaxies in intermediate density regions prior to the accretion on to groups/clusters. We find that both filaments and poor clusters are multiphase environments distinguishing themselves by different distributions of gas phases.

  12. Diffusion in the gas phase: the effects of ambient pressure and gas composition.

    Science.gov (United States)

    Paganelli, C V; Rahn, A A; Wangensteen, O D

    1975-12-01

    Gas transport across the pores of a hen's egg shell occurs by a process of diffusion in the gas phase and for any particular gas depends upon its diffusion coefficient and the pore geometry. The egg shell is thus a convenient model for measuring the diffusive permeability of the shell to a given gas species when its diffusion coefficient is altered by either a change in ambient pressure or by changing the second gas in the diffusion pathway. In this study the permeability of the shell to water vapor and O2 was inversely proportional to ambient pressures over the range of .06 to 8 atmospheres' absolute (ata). The permeability of the shell to water vapor in a He environment (KH20, He) was 2.4 times KH20, air. If KO2, N2 is taken as unity, the permeabilities of the shell to O2 in He, Ar, CO2 and SF6 are 3.38, 0.95, 0.88, and 0.52, respectively. The results are interpreted in terms of the Chapman-Enskog equation, from which binary diffusion coefficients can be predicted for given gas pairs and ambient pressures. These results also provide explantations for the structural modification of egg shells in altitude-adapted chickens, and for the reduced insensible water loss in man at high ambient pressure.

  13. The partitioning of Nitric Acid between the gas phase and condensed phase of aqueous sulfate aerosols.

    Science.gov (United States)

    Mentel, T. F.; Folkers, M.; Sebald, H.; Wahner, A.

    2001-12-01

    The heterogeneous hydrolysis of N2O_5 on aqueous aerosol surfaces is an important source of atmospheric HNO3. We generated HNO3 by heterogeneous hydrolysis of N2O_5 on aqueous ammonium and sodium sulfate aerosols and studied its partitioning between the gas phase and the aerosol phase. The experiments were performed in the large aerosol chamber at the FZ-Jülich at several relative humidities. Gas phase processes and the composition of the aerosols were monitored on-line simultaneously by FTIR spectroscopy and by Steam Jet Aerosol Collection/Ion Chromatography. The aerosol size distributions in the range of 20 nm to 5 μ m were measured by differential electromobility classification and by aerodynamic particle sizing. In the presence of aqueous bisulfate and sulfate aerosols a fast heterogeneous formation HNO3 is observed. (The reaction probability of N2O_5 is about 0.02.) In the case of the acidic bisulfate aerosols the major fraction of heterogeneously formed HNO3 resides in the gas phase. For neutral sulfate aerosols a significant fraction of HNO3 is taken up by the condensed phase of the aerosols. This leads to a distinctive growth of the aerosol population during the heterogeneous hydrolysis of N2O_5, which is observable in the number size distribution as well as in IR extinction measurements. The observed partitioning of HNO3 between gas phase and aqueous aerosol phase can be quantitatively understood by a Pitzer based thermodynamic model for salt solutions of high ionic strength. The model calculations and low resolution FTIR spectroscopy demonstrate that protonation of sulfate to bisulfate is the driving force for the uptake of HNO3 in neutral sulfate aerosols.

  14. Semiphenomenological model for gas-liquid phase transitions.

    Science.gov (United States)

    Benilov, E S; Benilov, M S

    2016-03-01

    We examine a rarefied gas with inter-molecular attraction. It is argued that the attraction force amplifies random density fluctuations by pulling molecules from lower-density regions into high-density regions and thus may give rise to an instability. To describe this effect, we use a kinetic equation where the attraction force is taken into account in a way similar to how electromagnetic forces in plasma are treated in the Vlasov model. It is demonstrated that the instability occurs when the temperature T is lower than a certain threshold value T(s) depending on the gas density. It is further shown that, even if T is only marginally lower than T(s), the instability generates clusters with density much higher than that of the gas. These results suggest that the instability should be interpreted as a gas-liquid phase transition, with T(s) being the temperature of saturated vapor and the high-density clusters representing liquid droplets.

  15. Phase distribution in horizontal gas-liquid two-phase bubbly flow

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    An investigation on phase distribution in air-water two-phaseflow in horizontal circular channel was conducted by using the double-sensor resistivity probe. The variations of phase distribution with variations ofgas and liquid volumetric fluxes were analyzed and the present data werecompared with some of other researcher's data and existing models. It wasfound there exists more complicated phase distribution pattern in horizontalflow system than in vertical flow. The radial local void fraction profilesare similar at the same measurement angle with various gas and liquid flowrates. However, an asymmetric profile can be observed at a given slice ofthe pipe cross-section.

  16. Computational phase diagrams of noble gas hydrates under pressure.

    Science.gov (United States)

    Teeratchanan, Pattanasak; Hermann, Andreas

    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-Ih, ice-Ic, ice-II, and C0 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 C0 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-C0 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.

  17. 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......-outlet. The swirling flow was concentric dueto the design of the double inlet for the cyclonic separator, which greatly improvedthe separating efficiency. The separating efficiency was greater than 90% with theparticle diameter of more than 100 μm....

  18. Warm gas in the rotating disk of the Red Rectangle: accurate models of molecular line emission

    CERN Document Server

    Bujarrabal, V

    2013-01-01

    We aim to study the excitation conditions of the molecular gas in the rotating disk of the Red Rectangle, the only post-Asymptotic-Giant-Branch object in which the existence of an equatorial rotating disk has been demonstrated. For this purpose, we developed a complex numerical code that accurately treats radiative transfer in 2-D, adapted to the study of molecular lines from rotating disks. We present far-infrared Herschel/HIFI observations of the 12CO and 13CO J=6-5, J=10-9, and J=16-15 transitions in the Red Rectangle. We also present our code in detail and discuss the accuracy of its predictions, from comparison with well-tested codes. Theoretical line profiles are compared with the empirical data to deduce the physical conditions in the disk by means of model fitting. We conclude that our code is very efficient and produces reliable results. The comparison of the theoretical predictions with our observations reveals that the temperature of the Red Rectangle disk is typically ~ 100-150 K, about twice as h...

  19. Accurate Exchange-Correlation Energies for the Warm Dense Electron Gas.

    Science.gov (United States)

    Malone, Fionn D; Blunt, N S; Brown, Ethan W; Lee, D K K; Spencer, J S; Foulkes, W M C; Shepherd, James J

    2016-09-09

    The density matrix quantum Monte Carlo (DMQMC) method is used to sample exact-on-average N-body density matrices for uniform electron gas systems of up to 10^{124} matrix elements via a stochastic solution of the Bloch equation. The results of these calculations resolve a current debate over the accuracy of the data used to parametrize finite-temperature density functionals. Exchange-correlation energies calculated using the real-space restricted path-integral formalism and the k-space configuration path-integral formalism disagree by up to ∼10% at certain reduced temperatures T/T_{F}≤0.5 and densities r_{s}≤1. Our calculations confirm the accuracy of the configuration path-integral Monte Carlo results available at high density and bridge the gap to lower densities, providing trustworthy data in the regime typical of planetary interiors and solids subject to laser irradiation. We demonstrate that the DMQMC method can calculate free energies directly and present exact free energies for T/T_{F}≥1 and r_{s}≤2.

  20. The Use of Biofilter to Reduce Atmospheric Global Warming Gas (CH4) Eemissions from Landfills

    Science.gov (United States)

    Park, S.; Thomas, J. C.; Brown, K. W.; Sung, K.

    2001-12-01

    The emission of greenhouse gasses resulting from anthropogenic activities is increasing the atmospheric concentration of these gases, which can influence the climatic system by changing the temperature, precipitation, wind and other climate factors. Methane (CH4) is a very potent greenhouse gas and CH4 emission from landfills in US has been reported as 37% of total anthropogenic source of CH4 emission. Properly designed soil biofilters may reduce atmospheric CH4 emissions from landfills and help reduce the accumulation of greenhouse gasses in the atmosphere. Biofilter performance was tested under a variety of environmental and design conditions. The results showed that biofilters have the potential to reduce CH4 emissions from landfills by as much as 83%. A quadratic equation was developed to describe the dependence of methane oxidation rate in a sandy loam textured soil as a function of soil temperature, soil moisture and ammonium nitrogen concentration. Using this equation and the averaged soil temperature and moisture contents, and census data for the largest cities of each of the 48 contiguous states, oxidation rates was calculated. A methane emission model was also developed to estimate the methane emission from municipal waste landfills with different covers. Older landfills with soil covers emitted an average of 83% of the generated CH4. Landfills with RCRA covers emitted 90% of the generated CH4 without biofilters and only 10% with biofilters. Thus, the installation of properly sized biofilters should significantly reduce atmospheric CH4 emissions from landfills.

  1. EUV and X-ray observation of Abell 2199 a three-phase intracluster medium with a massive warm component

    CERN Document Server

    Lieu, R; Mittaz, J P D; Lieu, Richard; Bonamente, Massimiliano; Mittaz, Jonathan P.D.

    2000-01-01

    Various independent ways of constraining the Hubble constant and the baryonic content of the universe finally converged at a consensus range of values which indicates that at the present epoch the bulk of the universe's baryons is in the form of a warm $\\sim$ 10$^6$ K gas - a temperature regime which renders them difficult to detect. The discovery of EUV and soft X-ray excess emission from clusters of galaxies was originally interpreted as the first direct evidence for the large scale presence of such a warm component. We present results from an EUVE Deep Survey (DS) observation of the rich cluster Abell 2199 in the Lex/B (69 - 190 eV) filter passband. The soft excess radial trend (SERT), shown by a plot against cluster radius $r$ of the percentage EUV emission $\\eta$ observed above the level expected from the hot intracluster medium (ICM), reveals that $\\eta$ is a simple function of $r$ which decreases monotonically towards $r = 0$; it smoothly turns negative at $r \\sim$ 6 arcmin, inwards of this radius the ...

  2. The nearby interstellar medium toward α Leo. UV observations and modeling of a warm cloud within hot gas

    Science.gov (United States)

    Gry, Cecile; Jenkins, Edward B.

    2017-02-01

    Aims: Our aim is to characterize the conditions in the nearest interstellar cloud. Methods: We analyze interstellar absorption features in the full UV spectrum of the nearby (d = 24 pc) B8 IVn star α Leo (Regulus). Observations were obtained with STIS at high resolution and high signal-to-noise ratio by the HST ASTRAL Treasury program. We derive column densities for many key atomic species and interpret their partial ionizations. Results: The gas in front of α Leo exhibits two absorption components. The main one is kinematically identified as the local interstellar cloud (LIC) that surrounds the Sun. The second component is shifted by +5.6 km s-1 relative to the main component, in agreement with results for other lines of sight in this region of the sky, and shares its ionization and physical conditions. The excitation of the C II fine-structure levels and the ratio of Mg I to Mg II reveal a temperature T = 6500 (+750, -600) K and electron density n(e) = 0.11 (+0.025, -0.03) cm-3. Our investigation of the ionization balance yields the ion fractions for 10 different atoms and indicates that about 1/3 of the hydrogen atoms are ionized. Metals are significantly depleted onto grains, with sulfur showing [S/H] -0.27. N(H I) = 1.9 (+0.9, -0.6) × 1018 cm-3, which indicates that this partly neutral gas occupies only 2 to 8 parsecs (about 13%) of the space toward the star, with the remaining volume being filled with a hot gas that emits soft X-rays. We do not detect any absorption features from the highly ionized species that could be produced in an interface between the warm medium and the surrounding hot gas, possibly because of non-equilibrium conditions or a particular magnetic field orientation that reduces thermal conduction. Finally, the radial velocity of the LIC agrees with that of the Local Leo Cold Cloud, indicating that they may be physically related.

  3. Neurotransmitters in the Gas Phase: La-Mb Studies

    Science.gov (United States)

    Cabezas, C.; Mata, S.; López, J. C.; Alonso, J. L.

    2011-06-01

    LA-MB-FTMW spectroscopy combines laser ablation with Fourier transform microwave spectroscopy in supersonic jets overcoming the problems of thermal decomposition associated with conventional heating methods. We present here the results on LA-MB-FTMW studies of some neurotransmitters. Six conformers of dopamine, four of adrenaline, five of noradrenaline and three conformers of serotonin have been characterized in the gas phase. The rotational and nuclear quadrupole coupling constants extracted from the analysis of the rotational spectrum are directly compared with those predicted by ab initio methods to achieve the conclusive identification of different conformers and the experimental characterization of the intramolecular forces at play which control conformational preferences.

  4. Seven Conformers of Pipecolic Acid Identified in the Gas Phase

    Science.gov (United States)

    Cabezas, Carlos; Simao, Alcides; Alonso, José L.

    2016-06-01

    The multiconformational landscape of the non-proteinogenic cyclic amino acid pipecolic acid has been explored in the gas phase. Solid pipecolic acid (m.p. 280°C) was vaporized by laser ablation (LA) and expanded in a supersonic jet where the rotational spectra of seven conformers were obtained by broadband microwave spectroscopy (CP-FTMW). All conformers were conclusively identified by comparison of the experimental spectroscopic constants with those predicted theoretically. The relative stability of the conformers rests on a delicate balance of the different intramolecular hydrogen bonds established between the carboxylic and the amino groups.

  5. Gas-phase energetics of thorium fluorides and their ions.

    Science.gov (United States)

    Irikura, Karl K

    2013-02-14

    Gas-phase thermochemistry for neutral ThF(n) and cations ThF(n)(+) (n = 1-4) is obtained from large-basis CCSD(T) calculations, with a small-core pseudopotential on thorium. Electronic partition functions are computed with the help of relativistic MRCI calculations. Geometries, vibrational spectra, electronic fine structure, and ion appearance energies are tabulated. These results support the experimental results by Lau, Brittain, and Hildenbrand for the neutral species, except for ThF. The ion thermochemistry is presented here for the first time.

  6. Visible and Ultraviolet Spectroscopy of Gas Phase Rhodamine 575 Cations

    OpenAIRE

    Daly, Steven; Kulesza, Alexander; Knight, Geoffrey; Macaleese, Luke; Antoine, Rodolphe; Dugourd, Philippe

    2015-01-01

    International audience; The visible and ultraviolet spectroscopy of gas phase rhodamine 575 cations has been studied experimentally by action-spectroscopy in a modified linear ion trap between 220 and 590 nm and by time-dependent density functional theory (TDDFT) calculations. Three bands are observed that can be assigned to the electronic transitions S0 → S1, S0 → S3, and S0 → (S8,S9) according to the theoretical prediction. While the agreement between theory and experiment is excellent for ...

  7. Integrated Warm Gas Multicontaminant Cleanup Technologies for Coal-Derived Syngas

    Energy Technology Data Exchange (ETDEWEB)

    Turk, Brian; Gupta, Raghubir; Sharma, Pradeepkumar; Albritton, Johnny; Jamal, Aqil

    2010-09-30

    One of the key obstacles for the introduction of commercial gasification technology for the production of power with Integrated Gasification Combined Cycle (IGCC) plants or the production of value added chemicals, transportation fuels, and hydrogen has been the cost of these systems. This situation is particularly challenging because the United States has ample coal resources available as raw materials and effective use of these raw materials could help us meet our energy and transportation fuel needs while significantly reducing our need to import oil. One component of the cost of these systems that faces strong challenges for continuous improvement is removing the undesirable components present in the syngas. The need to limit the increase in cost of electricity to < 35% for new coal-based power plants which include CO{sub 2} capture and sequestration addresses both the growing social concern for global climate change resulting from the emission of greenhouse gas and in particular CO{sub 2} and the need to control cost increases to power production necessary to meet this social objective. Similar improvements to technologies for trace contaminants are getting similar pressure to reduce environmental emissions and reduce production costs for the syngas to enable production of chemicals from coal that is cost competitive with oil and natural gas. RTI, with DOE/NETL support, has been developing sorbent technologies that enable capture of trace contaminants and CO{sub 2} at temperatures above 400 °F that achieve better capture performance, lower costs and higher thermal efficiency. This report describes the specific work of sorbent development for mercury (Hg), arsenic (As), selenium (Se), cadmium (Cd), and phosphorous (P) and CO{sub 2} removal. Because the typical concentrations of Hg, As, Se, Cd, and P are less than 10 ppmv, the focus has been on single-use sorbents with sufficient capacity to ensure replacement costs are cost effective. The research in this

  8. Integrated Warm Gas Multicontaminant Cleanup Technologies for Coal-Derived Syngas

    Energy Technology Data Exchange (ETDEWEB)

    Turk, Brian; Gupta, Raghubir; Sharma, Pradeepkumar; Albritton, Johnny; Jamal, Aqil

    2010-09-30

    One of the key obstacles for the introduction of commercial gasification technology for the production of power with Integrated Gasification Combined Cycle (IGCC) plants or the production of value added chemicals, transportation fuels, and hydrogen has been the cost of these systems. This situation is particularly challenging because the United States has ample coal resources available as raw materials and effective use of these raw materials could help us meet our energy and transportation fuel needs while significantly reducing our need to import oil. One component of the cost of these systems that faces strong challenges for continuous improvement is removing the undesirable components present in the syngas. The need to limit the increase in cost of electricity to < 35% for new coal-based power plants which include CO{sub 2} capture and sequestration addresses both the growing social concern for global climate change resulting from the emission of greenhouse gas and in particular CO{sub 2} and the need to control cost increases to power production necessary to meet this social objective. Similar improvements to technologies for trace contaminants are getting similar pressure to reduce environmental emissions and reduce production costs for the syngas to enable production of chemicals from coal that is cost competitive with oil and natural gas. RTI, with DOE/NETL support, has been developing sorbent technologies that enable capture of trace contaminants and CO{sub 2} at temperatures above 400 °F that achieve better capture performance, lower costs and higher thermal efficiency. This report describes the specific work of sorbent development for mercury (Hg), arsenic (As), selenium (Se), cadmium (Cd), and phosphorous (P) and CO{sub 2} removal. Because the typical concentrations of Hg, As, Se, Cd, and P are less than 10 ppmv, the focus has been on single-use sorbents with sufficient capacity to ensure replacement costs are cost effective. The research in this

  9. Eutrophication effects on greenhouse gas fluxes from shallow-lake mesocosms override those of climate warming.

    Science.gov (United States)

    Davidson, Thomas A; Audet, Joachim; Svenning, Jens-Christian; Lauridsen, Torben L; Søndergaard, Martin; Landkildehus, Frank; Larsen, Søren E; Jeppesen, Erik

    2015-12-01

    Fresh waters make a disproportionately large contribution to greenhouse gas (GHG) emissions, with shallow lakes being particular hot spots. Given their global prevalence, how GHG fluxes from shallow lakes are altered by climate change may have profound implications for the global carbon cycle. Empirical evidence for the temperature dependence of the processes controlling GHG production in natural systems is largely based on the correlation between seasonal temperature variation and seasonal change in GHG fluxes. However, ecosystem-level GHG fluxes could be influenced by factors, which while varying seasonally with temperature are actually either indirectly related (e.g. primary producer biomass) or largely unrelated to temperature, for instance nutrient loading. Here, we present results from the longest running shallow-lake mesocosm experiment which demonstrate that nutrient concentrations override temperature as a control of both the total and individual GHG flux. Furthermore, testing for temperature treatment effects at low and high nutrient levels separately showed only one, rather weak, positive effect of temperature (CH4 flux at high nutrients). In contrast, at low nutrients, the CO2 efflux was lower in the elevated temperature treatments, with no significant effect on CH4 or N2 O fluxes. Further analysis identified possible indirect effects of temperature treatment. For example, at low nutrient levels, increased macrophyte abundance was associated with significantly reduced fluxes of both CH4 and CO2 for both total annual flux and monthly observation data. As macrophyte abundance was positively related to temperature treatment, this suggests the possibility of indirect temperature effects, via macrophyte abundance, on CH4 and CO2 flux. These findings indicate that fluxes of GHGs from shallow lakes may be controlled more by factors indirectly related to temperature, in this case nutrient concentration and the abundance of primary producers. Thus, at ecosystem

  10. Net global warming potential and greenhouse gas intensity influenced by irrigation, tillage, crop rotation, and nitrogen fertilization.

    Science.gov (United States)

    Sainju, Upendra M; Stevens, William B; Caesar-TonThat, Thecan; Liebig, Mark A; Wang, Jun

    2014-05-01

    Little information exists about how global warming potential (GWP) is affected by management practices in agroecosystems. We evaluated the effects of irrigation, tillage, crop rotation, and N fertilization on net GWP and greenhouse gas intensity (GHGI or GWP per unit crop yield) calculated by soil respiration (GWP and GHGI) and organic C (SOC) (GWP and GHGI) methods after accounting for CO emissions from all sources (irrigation, farm operations, N fertilization, and greenhouse gas [GHG] fluxes) and sinks (crop residue and SOC) in a Lihen sandy loam from 2008 to 2011 in western North Dakota. Treatments were two irrigation practices (irrigated vs. nonirrigated) and five cropping systems (conventional-till malt barley [ L.] with N fertilizer [CTBN], conventional-till malt barley with no N fertilizer [CTBO], no-till malt barley-pea [ L.] with N fertilizer [NTB-P], no-till malt barley with N fertilizer, and no-till malt barley with no N fertilizer [NTBO]). While CO equivalents were greater with irrigation, tillage, and N fertilization than without, NO and CH fluxes were 2 to 218 kg CO eq. ha greater in nonirrigated NTBN and irrigated CTBN than in other treatments. Previous year's crop residue and C sequestration rate were 202 to 9316 kg CO eq. ha greater in irrigated NTB-P than in other treatments. Compared with other treatments, GWP and GWP were 160 to 9052 kg CO eq. ha lower in irrigated and nonirrigated NTB-P. Similarly, GHGI and GHGI were lower in nonirrigated NTB-P than in other treatments. Regardless of irrigation practices, NTB-P may lower net GHG emissions more than other treatments in the northern Great Plains. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  11. Thermally induced evolution of phase transformations in gas hydrate sediment

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Thermally induced evolution of phase transformations is a basic physical-chemical process in the dissociation of gas hydrate in sediment (GHS). Heat transfer leads to the weakening of the bed soil and the simultaneous establishment of a time varying stress field accompanied by seepage of fluids and deformation of the soil. As a consequence, ground failure could occur causing engineering damage or/and environmental disaster. This paper presents a simplified analysis of the thermal process by assuming that thermal conduction can be decoupled from the flow and deformation process. It is further assumed that phase transformations take place instantaneously. Analytical and numerical results are given for several examples of simplified geometry. Experiments using Tetra-hydro-furan hydrate sediments were carried out in our laboratory to check the theory. By comparison, the theoretical, numerical and experimental results on the evolution of dissociation fronts and temperature in the sediment are found to be in good agreement.

  12. Integrated evaluation of energy use, greenhouse gas emissions and global warming potential for sugar beet (Beta vulgaris) agroecosystems in Iran

    Science.gov (United States)

    Yousefi, Mohammad; Khoramivafa, Mahmud; Mondani, Farzad

    2014-08-01

    The main aim of this study was to determine and discuss the aggregate of energy use and greenhouse gas emission (CO2, N2O, and CH4) for sugar beet agroecosystems in western of Iran. For this propose data was collected by using questionnaires and face to face interview with 50 farmers. Results showed that total inputs and output energy were 49517.2 and 1095360.0 MJ ha-1, respectively. Energy use efficiency was 22.12. Total CO2, N2O and CH4 emissions due to chemical inputs were 2668.35, 22.92 and 3.49 kg, respectively. In sugar beet farms total global warming potential (GWPs) was 9847.77 kg CO2eq ha-1. In terms of CO2 equivalents, 27% of the GWPs come from CO2, 72% from N2O, and 1% from CH4. In this research input and output carbon were 29340.0 and 2678.6 kg C ha-1, respectively. Hence, carbon efficiency ratio was 10.95.

  13. Warm gas towards young stellar objects in Corona Australis - Herschel/PACS observations from the DIGIT key programme

    CERN Document Server

    Lindberg, Johan E; Green, Joel D; Herczeg, Gregory J; Dionatos, Odysseas; Evans, Neal J; Karska, Agata; Wampfler, Susanne F

    2013-01-01

    The effects of external irradiation on the chemistry and physics in the protostellar envelope around low-mass young stellar objects are poorly understood. The Corona Australis star-forming region contains the R CrA dark cloud, comprising several low-mass protostellar cores irradiated by an intermediate-mass young star. We study the effects on the warm gas and dust in a group of low-mass young stellar objects from the irradiation by the young luminous Herbig Be star R CrA. Herschel/PACS far-infrared datacubes of two low-mass star-forming regions in the R CrA dark cloud are presented. The distribution of CO, OH, H2O, [C II], [O I], and continuum emission is investigated. We have developed a deconvolution algorithm which we use to deconvolve the maps, separating the point-source emission from the extended emission. We also construct rotational diagrams of the molecular species. By deconvolution of the Herschel data, we find large-scale (several thousand AU) dust continuum and spectral line emission not associate...

  14. Differences in net global warming potential and greenhouse gas intensity between major rice-based cropping systems in China.

    Science.gov (United States)

    Xiong, Zhengqin; Liu, Yinglie; Wu, Zhen; Zhang, Xiaolin; Liu, Pingli; Huang, Taiqing

    2015-12-02

    Double rice (DR) and upland crop-single rice (UR) systems are the major rice-based cropping systems in China, yet differences in net global warming potential (NGWP) and greenhouse gas intensity (GHGI) between the two systems are poorly documented. Accordingly, a 3-year field experiment was conducted to simultaneously measure methane (CH4) and nitrous oxide (N2O) emissions and changes in soil organic carbon (SOC) in oil rape-rice-rice and wheat-rice (representing DR and UR, respectively) systems with straw incorporation (0, 3 and 6 t/ha) during the rice-growing seasons. Compared with the UR system, the annual CH4, N2O, grain yield and NGWP were significantly increased in the DR system, though little effect on SOC sequestration or GHGI was observed without straw incorporation. Straw incorporation increased CH4 emission and SOC sequestration but had no significant effect on N2O emission in both systems. Averaged over the three study years, straw incorporation had no significant effect on NGWP and GHGI in the UR system, whereas these parameters were greatly increased in the DR system, i.e., by 108% (3 t/ha) and 180% (6 t/ha) for NGWP and 103% (3 t/ha) and 168% (6 t/ha) for GHGI.

  15. Carbon and Noble Gas Isotope Banks in Two-Phase Flow: Changes in Gas Composition During Migration

    Science.gov (United States)

    Sathaye, K.; Larson, T.; Hesse, M. A.

    2015-12-01

    In conjunction with the rise of unconventional oil and gas production, there has been a recent rise in interest in noble gas and carbon isotope changes that can occur during the migration of natural gas. Natural gas geochemistry studies use bulk hydrocarbon composition, carbon isotopes, and noble gas isotopes to determine the migration history of gases from source to reservoir, and to trace fugitive gas leaks from reservoirs to shallow groundwater. We present theoretical and experimental work, which helps to explain trends observed in gas composition in various migration scenarios. Noble gases are used as tracers for subsurface fluid flow due to distinct initial compositions in air-saturated water and natural gases. Numerous field studies have observed enrichments and depletions of noble gases after gas-water interaction. A theoretical two-phase gas displacement model shows that differences in noble gas solubility will cause volatile gas components will become enriched at the front of gas plumes, leaving the surrounding residual water stripped of dissolved gases. Changes in hydrocarbon gas composition are controlled by gas solubility in both formation water and residual oil. In addition to model results, we present results from a series of two-phase flow experiments. These results demonstrate the formation of a noble gas isotope banks ahead of a main CO2 gas plume. Additionally, we show that migrating hydrocarbon gas plumes can sweep biogenic methane from groundwater, significantly altering the isotope ratio of the gas itself. Results from multicomponent, two-phase flow experiments qualitatively agree with the theoretical model, and previous field studies. These experimentally verified models for gas composition changes can be used to aid source identification of subsurface gases.

  16. Greenhouse gas emissions and global warming potential of traditional and diversified tropical rice rotation systems.

    Science.gov (United States)

    Weller, Sebastian; Janz, Baldur; Jörg, Lena; Kraus, David; Racela, Heathcliff S U; Wassmann, Reiner; Butterbach-Bahl, Klaus; Kiese, Ralf

    2016-01-01

    Global rice agriculture will be increasingly challenged by water scarcity, while at the same time changes in demand (e.g. changes in diets or increasing demand for biofuels) will feed back on agricultural practices. These factors are changing traditional cropping patterns from double-rice cropping to the introduction of upland crops in the dry season. For a comprehensive assessment of greenhouse gas (GHG) balances, we measured methane (CH4 )/nitrous oxide (N2 O) emissions and agronomic parameters over 2.5 years in double-rice cropping (R-R) and paddy rice rotations diversified with either maize (R-M) or aerobic rice (R-A) in upland cultivation. Introduction of upland crops in the dry season reduced irrigation water use and CH4 emissions by 66-81% and 95-99%, respectively. Moreover, for practices including upland crops, CH4 emissions in the subsequent wet season with paddy rice were reduced by 54-60%. Although annual N2 O emissions increased two- to threefold in the diversified systems, the strong reduction in CH4 led to a significantly lower (P < 0.05) annual GWP (CH4  + N2 O) as compared to the traditional double-rice cropping system. Measurements of soil organic carbon (SOC) contents before and 3 years after the introduction of upland crop rotations indicated a SOC loss for the R-M system, while for the other systems SOC stocks were unaffected. This trend for R-M systems needs to be followed as it has significant consequences not only for the GWP balance but also with regard to soil fertility. Economic assessment showed a similar gross profit span for R-M and R-R, while gross profits for R-A were reduced as a consequence of lower productivity. Nevertheless, regarding a future increase in water scarcity, it can be expected that mixed lowland-upland systems will expand in SE Asia as water requirements were cut by more than half in both rotation systems with upland crops.

  17. Synthesis of refractory organic matter in the ionized gas phase of the solar nebula.

    Science.gov (United States)

    Kuga, Maïa; Marty, Bernard; Marrocchi, Yves; Tissandier, Laurent

    2015-06-01

    In the nascent solar system, primitive organic matter was a major contributor of volatile elements to planetary bodies, and could have played a key role in the development of the biosphere. However, the origin of primitive organics is poorly understood. Most scenarios advocate cold synthesis in the interstellar medium or in the outer solar system. Here, we report the synthesis of solid organics under ionizing conditions in a plasma setup from gas mixtures (H2(O)-CO-N2-noble gases) reminiscent of the protosolar nebula composition. Ionization of the gas phase was achieved at temperatures up to 1,000 K. Synthesized solid compounds share chemical and structural features with chondritic organics, and noble gases trapped during the experiments reproduce the elemental and isotopic fractionations observed in primitive organics. These results strongly suggest that both the formation of chondritic refractory organics and the trapping of noble gases took place simultaneously in the ionized areas of the protoplanetary disk, via photon- and/or electron-driven reactions and processing. Thus, synthesis of primitive organics might not have required a cold environment and could have occurred anywhere the disk is ionized, including in its warm regions. This scenario also supports N2 photodissociation as the cause of the large nitrogen isotopic range in the solar system.

  18. The impact of the warm phase of ENSO (El Niño Southern Oscillation events on water resource availability of tropical catchments in Central Sulawesi, Indonesia

    Directory of Open Access Journals (Sweden)

    C. Leemhuis

    2006-01-01

    Full Text Available Precipitation anomalies caused by the warm phase (El Niño of the ENSO cycle lead to a strong decrease of water resources in South-East Asia. The aim of this work is to study the impact of warm phase ENSO caused precipitation anomalies on the water balance of a mesoscale tropical catchment in Central Sulawesi, Indonesia using a scenario analysis. We applied statistically generated precipitation anomalies caused by warm phase ENSO events on a validated hydrological model of the Palu River catchment (2694 km2 to investigate the implications of the generated ENSO scenarios on the total annual water balance, the annual discharge regime and the discharge variability. Moreover we analysed the influence of various catchment characteristics during warm phase ENSO conditions on the discharge variability through a comparison of different sub-catchment types. The results of the scenario analysis proved a severe decline of the annual discharge rate during warm phase ENSO conditions and an increase of the overall discharge variability.

  19. Condensation of Cu nanoparticles from the gas phase

    Science.gov (United States)

    Chepkasov, I. V.; Gafner, Yu. Ya.; Gafner, S. L.; Bardahanov, S. P.

    2016-10-01

    In order to determine the most efficient modes of copper-nanoparticle synthesis, a number of experiments on evaporation with the subsequent condensation of the initial material in the argon atmosphere have been carried out. In the course of the experiments, it has been discovered that intensified evaporation significantly increases the average size of the synthesized particles. However, the investigation of the change in the dimensional characteristics of the produced clusters depending on the intensity of the buffer-gas flow faced serious difficulties. The obtained results differ significantly from the earlier experiments on the synthesis of the transition-metal oxides. In order to solve this contradiction, the computer simulation of the condensation of copper atoms from the gas phase with three different cooling rates and two final temperatures T = 373 K and T = 77 K has been performed. It has been discovered that the cooling rate of the gas mixture and the final temperature directly influence the quantity and size of the produced particles. Thus, at a tenfold lower cooling rate, the average number of particles increases 2.7 times at a final temperature of 77 K and by 3.1 times at T = 373 K.

  20. Nahoon: Time-dependent gas-phase chemical model

    Science.gov (United States)

    Wakelam, V.

    2014-09-01

    Nahoon is a gas-phase chemical model that computes the chemical evolution in a 1D temperature and density structure. It uses chemical networks downloaded from the KInetic Database for Astrochemistry (KIDA) but the model can be adapted to any network. The program is written in Fortran 90 and uses the DLSODES (double precision) solver from the ODEPACK package to solve the coupled stiff differential equations. The solver computes the chemical evolution of gas-phase species at a fixed temperature and density and can be used in one dimension (1D) if a grid of temperature, density, and visual extinction is provided. Grains, both neutral and negatively charged, and electrons are considered as chemical species and their concentrations are computed at the same time as those of the other species. Nahoon contains a test to check the temperature range of the validity of the rate coefficients and avoid extrapolations outside this range. A test is also included to check for duplication of chemical reactions, defined over complementary ranges of temperature.

  1. The state of the warm and cold gas in the extreme starburst at the core of the Phoenix galaxy cluster (SPT-CLJ2344-4243)

    Energy Technology Data Exchange (ETDEWEB)

    McDonald, Michael; Bautz, Marshall W. [Kavli Institute for Astrophysics and Space Research, MIT, Cambridge, MA 02139 (United States); Swinbank, Mark; Edge, Alastair C.; Hogan, Michael T. [Institute for Computational Cosmology, Department of Physics, Durham University, South Road, Durham DH1 3LE (United Kingdom); Wilner, David J.; Bayliss, Matthew B. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Veilleux, Sylvain [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States); Benson, Bradford A. [Kavli Institute for Cosmological Physics, University of Chicago, 5640 South Ellis Avenue, Chicago, IL 60637 (United States); Marrone, Daniel P. [Steward Observatory, University of Arizona, 933 North Cherry Avenue, Tucson, AZ 85721 (United States); McNamara, Brian R. [Department of Physics and Astronomy, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1 (Canada); Wei, Lisa H., E-mail: mcdonald@space.mit.edu [Atmospheric and Environmental Research, 131 Hartwell Avenue, Lexington, MA 02421 (United States)

    2014-03-20

    We present new optical integral field spectroscopy (Gemini South) and submillimeter spectroscopy (Submillimeter Array) of the central galaxy in the Phoenix cluster (SPT-CLJ2344-4243). This cluster was previously reported to have a massive starburst (∼800 M {sub ☉} yr{sup –1}) in the central, brightest cluster galaxy, most likely fueled by the rapidly cooling intracluster medium. These new data reveal a complex emission-line nebula, extending for >30 kpc from the central galaxy, detected at [O II]λλ3726, 3729, [O III]λλ4959, 5007, Hβ, Hγ, Hδ, [Ne III]λ3869, and He II λ4686. The total Hα luminosity, assuming Hα/Hβ = 2.85, is L {sub Hα} = 7.6 ± 0.4 ×10{sup 43} erg s{sup –1}, making this the most luminous emission-line nebula detected in the center of a cool core cluster. Overall, the relative fluxes of the low-ionization lines (e.g., [O II], Hβ) to the UV continuum are consistent with photoionization by young stars. In both the center of the galaxy and in a newly discovered highly ionized plume to the north of the galaxy, the ionization ratios are consistent with both shocks and active galactic nucleus (AGN) photoionization. We speculate that this extended plume may be a galactic wind, driven and partially photoionized by both the starburst and central AGN. Throughout the cluster we measure elevated high-ionization line ratios (e.g., He II/Hβ, [O III]/Hβ), coupled with an overall high-velocity width (FWHM ≳ 500 km s{sup –1}), suggesting that shocks are likely important throughout the interstellar medium of the central galaxy. These shocks are most likely driven by a combination of stellar winds from massive young stars, core-collapse supernovae, and the central AGN. In addition to the warm, ionized gas, we detect a substantial amount of cold, molecular gas via the CO(3-2) transition, coincident in position with the galaxy center. We infer a molecular gas mass of M{sub H{sub 2}} = 2.2 ± 0.6 × 10{sup 10} M {sub ☉}, which implies that

  2. The effect of aerosol-derived changes in the warm phase on the properties of deep convective clouds

    Science.gov (United States)

    Chen, Qian; Koren, Ilan; Altaratz, Orit; Heiblum, Reuven; Dagan, Guy

    2017-04-01

    The aerosol impact on deep convective clouds starts in an increased number of cloud droplets in higher aerosol loading environment. This change drives many others, like enhanced condensational growth, delay in collision-coalescence and others. Since the warm processes serve as the initial and boundary conditions for the mixed and cold-phase processes in deep clouds, it is highly important to understand the aerosol effect on them. The weather research and forecasting model (WRF) with spectral bin microphysics was used to study a deep convective system over the Marshall Islands, during the Kwajalein Experiment (KWAJEX). Three simulations were conducted with aerosol concentrations of 100, 500 and 2000 cm-3, to reflect clean, semipolluted, and polluted conditions. The results of the clean run agreed well with the radar profiles and rain rate observations. The more polluted simulations resulted in larger total cloud mass, larger upper level cloud fraction and rain rates. There was an increased mass both below and above the zero temperature level. It indicates of more efficient growth processes both below and above the zero level. In addition the polluted runs showed an increased upward transport (across the zero level) of liquid water due to both stronger updrafts and larger droplet mobility. In this work we discuss the transport of cloud mass crossing the zero temperature level (in both directions) in order to gain a process level understanding of how aerosol effects on the warm processes affect the macro- and micro-properties of deep convective clouds.

  3. For Noble Gases, Energy is Positive for the Gas Phase, Negative for the Liquid Phase

    CERN Document Server

    Asanuma, Nobu-Hiko

    2016-01-01

    We found from experimental data that for noble gases and H$_2$, the energy is positive for the gas phase, and negative for the liquid, possibly except the small vicinity of the critical point, about $(1- T/T_c) \\le 0.005$. The line $E=E_c$, in the supercritical region is found to lie close to the Widom line, where $E_c$ is the critical energy.

  4. Effect of Gas Phase Transport in Molten Carbonate Fuel Cell (I)

    Energy Technology Data Exchange (ETDEWEB)

    Lee, C.G.; Lim, H.C. [Korea Electric Power Research Institute, Taejon (Korea)

    1999-07-01

    The mass transfer effect in gas phase of molten carbonate fuel cell (MCFC) has not been profoundly studied. We have tried to investigate it with disturbance of reactant gas flow. An inert gas was added into anode and cathode reactant gas streams, and the resulting voltage shifts were analyzed. The disturbance of reactant gas was carried out at different reactant and inert gas flow rates, and current density. The results express that the anode performance is profoundly influenced by mass transfer in gas phase while the cathode is not. Moreover, the quantitative analysis of mass transfer effect in gas phase was available by means of the inert gas disturbance. The method led to the separate analyses of mass transfer effect in cell. The effects of mass transfer in gas channel and porous electrode regions were measured by changing gas channel depth and electrode thickness. It was found that mass transfer resistance in anode takes place mainly in porous electrode. Meanwhile the voltage shifts in cathode represented both gas and liquid phase mass transfer effect separately. It was also found that the mass transfer resistance in gas phase is insignificant in cathode compared with that in anode. The voltage shift values, which mean mass transfer resistance in liquid phase, depended on oxidant gas composition. It implies that the cathode reaction in MCFC would be an O{sub 2} and CO{sub 2} mixed diffusion control process. (author). 11 refs., 5 figs.

  5. Theory of complex fluids in the warm-dense-matter regime, and application to phase-transitions in liquid carbon

    CERN Document Server

    Dharma-wardana, M W C

    2016-01-01

    Using data from recent laser-shock experiments and related density-functional molecular-dynamics simulations on carbon, we demonstrate that the ionic structures predicted within the neutral-pseudo-atom approach for a complex liquid in the warm-dense matter regime are in good agreement with available data, even where transient covalent bonding dominates ionic correlations. Evidence for an unusual phase transition of a liquid $\\to$ vapor with an abrupt decrease in ionization occurring simultaneously is presented. Here a covalently-bonded metallic-liquid, i.e., carbon of density 1.0 g/cm$^3$, transits to a disordered mono-atomic fluid at 7 eV. Other transitions where the mean ionization $Z$ drops abruptly are also uncovered

  6. The Diamagnetic Phase Transition of Dense Electron Gas: Astrophysical Applications

    Science.gov (United States)

    Wang, Zhaojun; Lü, Guoliang; Zhu, Chunhua; Wu, Baoshan

    2016-10-01

    Neutron stars are ideal astrophysical laboratories for testing theories of the de Haas-van Alphen effect and diamagnetic phase transition which is associated with magnetic domain formation. The “magnetic interaction” between delocalized magnetic moments of electrons (the Shoenberg effect), can result in an effect of the diamagnetic phase transition into domains of alternating magnetization (Condon's domains). Associated with the domain formation are prominent magnetic field oscillation and anisotropic magnetic stress which may be large enough to fracture the crust of magnetar with a super-strong field. Even if the fracture is impossible as in “low-field” magnetar, the depinning phase transition of domain wall (DW) motion driven by low field rate (mainly due to the Hall effect) in the randomly perturbed crust can result in a catastrophically variation of magnetic field. This intermittent motion, similar to the avalanche process, makes the Hall effect be dissipative. These qualitative consequences about magnetized electron gas are consistent with observations of magnetar emission, and especially the threshold critical dynamics of driven DW can partially overcome the difficulties of “low-field” magnetar bursts and the heating mechanism of transient, or “outbursting” magnetar.

  7. Visible and ultraviolet spectroscopy of gas phase protein ions.

    Science.gov (United States)

    Antoine, Rodolphe; Dugourd, Philippe

    2011-10-06

    Optical spectroscopy has contributed enormously to our knowledge of the structure and dynamics of atoms and molecules and is now emerging as a cornerstone of the gas phase methods available for investigating biomolecular ions. This article focuses on the UV and visible spectroscopy of peptide and protein ions stored in ion traps, with emphasis placed on recent results obtained on protein polyanions, by electron photodetachment experiments. We show that among a large number of possible de-excitation pathways, the relaxation of biomolecular polyanions is mainly achieved by electron emission following photo-excitation in electronically excited states. Electron photodetachment is a fast process that occurs prior to relaxation on vibrational degrees of freedom. Electron photodetachment yield can then be used to record gas phase action spectra for systems as large as entire proteins, without the limitation of system size that would arise from energy redistribution on numerous modes and prevent fragmentation after the absorption of a photon. The optical activity of proteins in the near UV is directly related to the electronic structure and optical absorption of aromatic amino acids (Trp, Phe and Tyr). UV spectra for peptides and proteins containing neutral, deprotonated and radical aromatic amino acids were recorded. They displayed strong bathochromic shifts. In particular, the results outline the privileged role played by open shell ions in molecular spectroscopy which, in the case of biomolecules, is directly related to their reactivity and biological functions. The optical shifts observed are sufficient to provide unambiguous fingerprints of the electronic structure of chromophores without the requirement of theoretical calculations. They constitute benchmarks for calculating the absorption spectra of chromophores embedded in entire proteins and could be used in the future to study biochemical processes in the gas phase involving charge transfer in aromatic amino acids

  8. Modified lattice-gas model for the gas-liquid-solid phase diagram

    Science.gov (United States)

    Imry, Yoseph; Schwartz, Moshe

    1980-04-01

    Crystalline order parameters related to the localization of the particles within the cells are introduced into the usual lattice-gas model. The coupling of these order parameters to the usual liquid-gas transition is shown to produce, in the simplest approximation, phase diagrams of qualitatively correct shapes. The Goldstone modes of the solid are retained in this picture. The Landau theory of melting is reviewed and shown to always lead to a first-order solid-fluid transition. The question of the possibility of the transition becoming second order due to fluctuations is discussed qualitatively. This possibility is shown to depend on the relative sizes of the first-order transition and the critical region of the fluctuations.

  9. Global warming potential and greenhouse gas intensity in rice agriculture driven by high yields and nitrogen use efficiency

    Science.gov (United States)

    Zhang, Xiaoxu; Xu, Xin; Liu, Yinglie; Wang, Jinyang; Xiong, Zhengqin

    2016-05-01

    Our understanding of how global warming potential (GWP) and greenhouse gas intensity (GHGI) is affected by management practices aimed at food security with respect to rice agriculture remains limited. In the present study, a field experiment was conducted in China to evaluate the effects of integrated soil-crop system management (ISSM) on GWP and GHGI after accounting for carbon dioxide (CO2) equivalent emissions from all sources, including methane (CH4) and nitrous oxide (N2O) emissions, agrochemical inputs and farm operations and sinks (i.e., soil organic carbon sequestration). The ISSM mainly consisted of different nitrogen (N) fertilization rates and split, manure, Zn and Na2SiO3 fertilization and planting density for the improvement of rice yield and agronomic nitrogen use efficiency (NUE). Four ISSM scenarios consisting of different chemical N rates relative to the local farmers' practice (FP) rate were carried out, namely, ISSM-N1 (25 % reduction), ISSM-N2 (10 % reduction), ISSM-N3 (FP rate) and ISSM-N4 (25 % increase). The results showed that compared with the FP, the four ISSM scenarios significantly increased the rice yields by 10, 16, 28 and 41 % and the agronomic NUE by 75, 67, 35 and 40 %, respectively. In addition, compared with the FP, the ISSM-N1 and ISSM-N2 scenarios significantly reduced the GHGI by 14 and 18 %, respectively, despite similar GWPs. The ISSM-N3 and ISSM-N4 scenarios remarkably increased the GWP and GHGI by an average of 69 and 39 %, respectively. In conclusion, the ISSM strategies are promising for both food security and environmental protection, and the ISSM scenario of ISSM-N2 is the optimal strategy to realize high yields and high NUE together with low environmental impacts for this agricultural rice field.

  10. Global Warming Potential from early phase decomposition of soil organic matter amendments

    Science.gov (United States)

    Mayer, A.; Silver, W. L.

    2015-12-01

    Organic matter amendments to soil are widely used as a method of enhancing nutrient availability for crops or grassland. Amendments such as composted manure or greenwaste also have the co-benefits of potentially increasing soil carbon (C) stocks (DeLonge et al., 2013) and diverting organic waste from landfills or manure lagoons. However, application of organic matter amendments can also stimulate emissions of greenhouse gases (GHGs). In this study we determined how the chemical quality of organic matter amendments affected soil C and N content and GHG emissions during early stage decomposition. California grassland soils were amended with six different amendments of varying C and N content including three composts and three feedstocks (goat and horse bedding and cattle manure). Amendments and soils were incubated in the laboratory for 7 weeks; GHG fluxes were measured weekly. The three feedstocks emitted significantly more GHGs than the composted materials. With the exception of cow manure, N content of the amendment was linearly correlated with global warming potential emitted (R2= 0.66, P mineral soil, as expected. However, greenwaste compost also surprisingly resulted in net C losses, while goat bedding, horse bedding, and the other compost were either C neutral or a slight net C sink at the end of the incubation. Ongoing analyses are examining the fate of the C incorporated from the amendment to the soil as occluded or free light fraction, as well as N mineralization rates. Our data suggest that N content of organic matter amendments is a good predictor of initial GHG emissions. The study also indicates that composting greenwaste with N-rich bedding and manure can result in lower GHG emissions and C sequestration compared to the individual uncomposted components.

  11. 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.

  12. Silicon Nanowire‐Based Devices for Gas-Phase Sensing

    Directory of Open Access Journals (Sweden)

    Anping Cao

    2013-12-01

    Full Text Available Since their introduction in 2001, SiNW-based sensor devices have attracted considerable interest as a general platform for ultra-sensitive, electrical detection of biological and chemical species. Most studies focus on detecting, sensing and monitoring analytes in aqueous solution, but the number of studies on sensing gases and vapors using SiNW-based devices is increasing. This review gives an overview of selected research papers related to the application of electrical SiNW-based devices in the gas phase that have been reported over the past 10 years. Special attention is given to surface modification strategies and the sensing principles involved. In addition, future steps and technological challenges in this field are addressed.

  13. Theory of Gas Phase Scattering and Reactivity for Astrochemistry

    CERN Document Server

    Wiesenfeld, Laurent; Caselli, Paola; Faure, Alexandre; Bizzocchi, Luca; Brandão, João; Duflot, Denis; Herbst, Eric; Klippenstein, Stephen J; Komatsuzaki, Tamiki; Puzzarini, Cristina; Roncero, Octavio; Teramoto, Hiroshi; Toda, Mikito; van der Avoird, Ad; Waalkens, Holger

    2016-01-01

    Because of the very peculiar conditions of chemistry in many astrophysical gases (low densities, mostly low temperatures, kinetics-dominated chemical evolution), great efforts have been devoted to study molecular signatures and chemical evolution. While experiments are being performed in many laboratories, it appears that the efforts directed towards theoretical works are not as strong. This report deals with the present status of chemical physics/physical chemistry theory, for the qualitative and quantitative understanding of kinetics of molecular scattering, being it reactive or inelastic. By gathering several types of expertise, from applied mathematics to physical chemistry, dialog is made possible, as a step towards new and more adapted theoretical frameworks, capable of meeting the theoretical, methodological and numerical challenges of kinetics-dominated gas phase chemistry in astrophysical environments. A state of the art panorama is presented, alongside present-day strengths and shortcomings. However...

  14. Gas phase toluene isopropylation over high silica mordenite

    Indian Academy of Sciences (India)

    Sreedevi Upadhyayula

    2010-07-01

    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 like temperature, time-on-stream, weight hourly space velocity (WHSV), reactant mole ratio on this catalyst activity are discussed. The cymene selectivity was found to increase with reaction temperature and passed through a maximum at 473 K. The deactivation with time-onstream is almost negligible. Lower isopropyl alcohol concentration in the feed improved cymene selectivity. The conversion and selectivity to cymenes were compared with those of the large pore beta catalyst. The rate constant and activation energy were found to be 7.34 m3/kg h and 41.84 kJ/mol, respectively using homogeneous kinetic model.

  15. Synthesis and Gas Phase Thermochemistry of Germanium-Containing Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Classen, Nathan Robert [Iowa State Univ., Ames, IA (United States)

    2002-01-01

    The driving force behind much of the work in this dissertation was to gain further understanding of the unique olefin to carbene isomerization observed in the thermolysis of 1,1-dimethyl-2-methylenesilacyclobutane by finding new examples of it in other silicon and germanium compounds. This lead to the examination of a novel phenylmethylenesilacyclobut-2-ene, which did not undergo olefin to carbene rearrangement. A synthetic route to methylenegermacyclobutanes was developed, but the methylenegermacyclobutane system exhibited kinetic instability, making the study of the system difficult. In any case the germanium system decomposed through a complex mechanism which may not include olefin to carbene isomerization. However, this work lead to the study of the gas phase thermochemistry of a series of dialkylgermylene precursors in order to better understand the mechanism of the thermal decomposition of dialkylgermylenes. The resulting dialkylgermylenes were found to undergo a reversible intramolecular β C-H insertion mechanism.

  16. Statistical Physics of Nanoparticles in the Gas Phase

    CERN Document Server

    Hansen, Klavs

    2013-01-01

    Thermal processes are ubiquitous and an understanding of thermal phenomena is essential for a complete description of the physics of nanoparticles, both for the purpose of modeling the dynamics of the particles and for the correct interpretation of experimental data. This book has the twofold aim to present coherently the relevant results coming from the recent scientific literature and to guide the readers through the process of deriving results, enabling them to explore the limits of the mathematical approximations and test the power of the method. The book is focused on the fundamental properties of nanosystems in the gas phase. For this reason there is a strong emphasis on microcanonical physics. Each chapter is enriched with exercises and 3 Appendices provide additional useful materials.

  17. Synthesis and Gas Phase Thermochemistry of Germanium-Containing Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nathan Robert Classen

    2002-12-31

    The driving force behind much of the work in this dissertation was to gain further understanding of the unique olefin to carbene isomerization observed in the thermolysis of 1,1-dimethyl-2-methylenesilacyclobutane by finding new examples of it in other silicon and germanium compounds. This lead to the examination of a novel phenylmethylenesilacyclobut-2-ene, which did not undergo olefin to carbene rearrangement. A synthetic route to methylenegermacyclobutanes was developed, but the methylenegermacyclobutane system exhibited kinetic instability, making the study of the system difficult. In any case the germanium system decomposed through a complex mechanism which may not include olefin to carbene isomerization. However, this work lead to the study of the gas phase thermochemistry of a series of dialkylgermylene precursors in order to better understand the mechanism of the thermal decomposition of dialkylgermylenes. The resulting dialkylgermylenes were found to undergo a reversible intramolecular {beta} C-H insertion mechanism.

  18. Ceramic microreactors for heterogeneously catalysed gas-phase reactions.

    Science.gov (United States)

    Knitter, Regina; Liauw, Marcel A

    2004-08-01

    The high surface to volume ratio of microchannel components offers many advantages in micro chemical engineering. It is obvious, however, that the reactor material and corrosion phenomena play an important role when applying these components. For chemical reactions at very high temperatures or/and with corrosive reactants involved, microchannel components made of metals or polymers are not suited. Hence, a modular microreactor system made of alumina was developed and fabricated using a rapid prototyping process chain. With exchangeable inserts the system can be adapted to the requirements of various reactions. Two heterogeneously catalysed gas-phase reactions (oxidative coupling of methane, isoprene selective oxidation to citraconic anhydride) were investigated to check the suitability of the system at temperatures of up to 1000 degrees C. Apart from the high thermal and chemical resistance, the lack of any blind activity was found to be another advantage of ceramic components.

  19. Molecular ions of ionic liquids in the gas phase.

    Science.gov (United States)

    Gross, Jürgen H

    2008-09-01

    Ionic liquids form neutral ion pairs (CA) upon evaporation. The softness of the gas-phase ionization of field ionization has been used to generate "molecular ions," CA(+*), of ionic liquids, most probably by neutralization of the anion. In detail, 1-ethyl-3-methylimidazolium-thiocyanate, [C(6)H(11)N(2)](+) [SCN](-), 1-butyl-3-methylimidazolium-tricyanomethide, [C(8)H(15)N(2)](+) [C(4)N(3)](-), N-butyl-3-methylpyridinium-dicyanamide, [C(10)H(16)N](+) [C(2)N(3)](-), and 1-butyl-1-methylpyrrolidinium-bis[(trifluormethyl)sulfonyl]amide, [C(9)H(20)N](+) [C(2)F(6)NO(4)S(2)](-) were used. The assignment as CA(+*) ions, which has been confirmed by accurate mass measurements and misassignments due to thermal decomposition of the ionic liquids, has been ruled out by field desorption and electrospray ionization mass spectrometry of the residues.

  20. Gas-phase synthesis of magnetic metal/polymer nanocomposites.

    Science.gov (United States)

    Starsich, Fabian H L; Hirt, Ann M; Stark, Wendelin J; Grass, Robert N

    2014-12-19

    Highly magnetic metal Co nanoparticles were produced via reducing flame spray pyrolysis, and directly coated with an epoxy polymer in flight. The polymer content in the samples varied between 14 and 56 wt% of nominal content. A homogenous dispersion of Co nanoparticles in the resulting nanocomposites was visualized by electron microscopy. The size and crystallinity of the metallic fillers was not affected by the polymer, as shown by XRD and magnetic hysteresis measurements. The good control of the polymer content in the product nanocomposite was shown by elemental analysis. Further, the successful polymerization in the gas phase was demonstrated by electron microscopy and size measurements. The presented effective, dry and scalable one-step synthesis method for highly magnetic metal nanoparticle/polymer composites presented here may drastically decrease production costs and increase industrial yields.

  1. Gas-phase synthesis of magnetic metal/polymer nanocomposites

    Science.gov (United States)

    Starsich, Fabian H. L.; Hirt, Ann M.; Stark, Wendelin J.; Grass, Robert N.

    2014-12-01

    Highly magnetic metal Co nanoparticles were produced via reducing flame spray pyrolysis, and directly coated with an epoxy polymer in flight. The polymer content in the samples varied between 14 and 56 wt% of nominal content. A homogenous dispersion of Co nanoparticles in the resulting nanocomposites was visualized by electron microscopy. The size and crystallinity of the metallic fillers was not affected by the polymer, as shown by XRD and magnetic hysteresis measurements. The good control of the polymer content in the product nanocomposite was shown by elemental analysis. Further, the successful polymerization in the gas phase was demonstrated by electron microscopy and size measurements. The presented effective, dry and scalable one-step synthesis method for highly magnetic metal nanoparticle/polymer composites presented here may drastically decrease production costs and increase industrial yields.

  2. Gas-phase spectroscopy of ferric heme-NO complexes

    DEFF Research Database (Denmark)

    Wyer, J.A.; Jørgensen, Anders; Pedersen, Bjarke

    2013-01-01

    Weakly bound complexes between ferric heme cations and NO were synthesised in the gas phase from ion-molecule reactions, and their absorption measured based on photodissociation yields. The Soret band, which serves as an important marker band for heme-protein spectroscopy, is maximal at 357±5 nm...... and significantly blue-shifted compared to ferric heme nitrosyl proteins (maxima between 408 and 422 nm). This is in stark contrast to the Q-band absorption where the protein microenvironment is nearly innocent in perturbing the electronic structure of the porphyrin macrocycle. Photodissociation is primarily...... in vacuo and to ferric heme proteins, demonstrating the perturbing effect of the protein environment or the axial amino acid ligand, in contrast to Q-band absorption, where the environment is nearly innocent....

  3. Precursor-Less Coating of Nanoparticles in the Gas Phase

    Directory of Open Access Journals (Sweden)

    Tobias V. Pfeiffer

    2015-03-01

    Full Text Available This article introduces a continuous, gas-phase method for depositing thin metallic coatings onto (nanoparticles using a type of physical vapor deposition (PVD at ambient pressure and temperature. An aerosol of core particles is mixed with a metal vapor cloud formed by spark ablation by passing the aerosol through the spark zone using a hollow electrode configuration. The mixing process rapidly quenches the vapor, which condenses onto the core particles at a timescale of several tens of milliseconds in a manner that can be modeled as bimodal coagulation. Gold was deposited onto core nanoparticles consisting of silver or polystyrene latex, and silver was deposited onto gold nanoparticles. The coating morphology depends on the relative surface energies of the core and coating materials, similar to the growth mechanisms known for thin films: a coating made of a substance having a high surface energy typically results in a patchy coverage, while a coating material with a low surface energy will normally “wet” the surface of a core particle. The coated particles remain gas-borne, allowing further processing.

  4. Gas phase plasma impact on phenolic compounds in pomegranate juice.

    Science.gov (United States)

    Herceg, Zoran; Kovačević, Danijela Bursać; Kljusurić, Jasenka Gajdoš; Jambrak, Anet Režek; Zorić, Zoran; Dragović-Uzelac, Verica

    2016-01-01

    The aim of the study was to evaluate the effect of gas phase plasma on phenolic compounds in pomegranate juice. The potential of near infrared reflectance spectroscopy combined with partial least squares for monitoring the stability of phenolic compounds during plasma treatment was explored, too. Experiments are designed to investigate the effect of plasma operating conditions (treatment time 3, 5, 7 min; sample volume 3, 4, 5 cm(3); gas flow 0.75, 1, 1.25 dm(3) min(-1)) on phenolic compounds and compared to pasteurized and untreated pomegranate juice. Pasteurization and plasma treatment resulted in total phenolic content increasing by 29.55% and 33.03%, respectively. Principal component analysis and sensitivity analysis outputted the optimal treatment design with plasma that could match the pasteurized sample concerning the phenolic stability (5 min/4 cm(3)/0.75 dm(3) min(-1)). Obtained results demonstrate the potential of near infrared reflectance spectroscopy that can be successfully used to evaluate the quality of pomegranate juice upon plasma treatment considering the phenolic compounds.

  5. Gas phase ion chemistry of coumarins: ab initio calculations used to ...

    African Journals Online (AJOL)

    Gas phase ion chemistry of coumarins: ab initio calculations used to justify ... and quadrupole mass spectrometer (qMS) coupled to a gas chromatograph is ... Ab Initio calculations, Electron ionization, Positive chemical ionization, Negative ...

  6. Atomic and molecular physics in the gas phase

    Energy Technology Data Exchange (ETDEWEB)

    Toburen, L.H.

    1990-09-01

    The spatial and temporal distributions of energy deposition by high-linear-energy-transfer radiation play an important role in the subsequent chemical and biological processes leading to radiation damage. Because the spatial structures of energy deposition events are of the same dimensions as molecular structures in the mammalian cell, direct measurements of energy deposition distributions appropriate to radiation biology are infeasible. This has led to the development of models of energy transport based on a knowledge of atomic and molecular interactions process that enable one to simulate energy transfer on an atomic scale. Such models require a detailed understanding of the interactions of ions and electrons with biologically relevant material. During the past 20 years there has been a great deal of progress in our understanding of these interactions; much of it coming from studies in the gas phase. These studies provide information on the systematics of interaction cross sections leading to a knowledge of the regions of energy deposition where molecular and phase effects are important and that guide developments in appropriate theory. In this report studies of the doubly differential cross sections, crucial to the development of stochastic energy deposition calculations and track structure simulation, will be reviewed. Areas of understanding are discussed and directions for future work addressed. Particular attention is given to experimental and theoretical findings that have changed the traditional view of secondary electron production for charged particle interactions with atomic and molecular targets.

  7. Synthesis of carbon nanotubes by plasma-enhanced CVD process: gas phase study of synthesis conditions

    OpenAIRE

    Guláš, Michal; Cojocaru, Costel Sorin; Fleaca, Claudiu; Farhat, Samir; Veis, Pavel; Le Normand, Francois

    2008-01-01

    International audience; To support experimental investigations, a model based on ChemkinTM software was used to simulate gas phase and surface chemistry during plasma-enhanced catalytic CVD of carbon nanotubes. According to these calculations, gas phase composition, etching process and growth rates are calculated. The role of several carbon species, hydrocarbon molecules and ions in the growth mechanism of carbon nanotubes is presented in this study. Study of different conditions of gas phase ...

  8. Synthesis of carbon nanbotubes by plasma-enhanced CVD process: gas phase study of synthesis conditions

    Science.gov (United States)

    Guláš, M.; Cojocaru, C. S.; Fleaca, C. T.; Farhat, S.; Veis, P.; Le Normand, F.

    2008-09-01

    To support experimental investigations, a model based on Chemkin^TM software was used to simulate gas phase and surface chemistry during plasma-enhanced catalytic CVD of carbon nanotubes. According to these calculations, gas phase composition, etching process and growth rates are calculated. The role of several carbon species, hydrocarbon molecules and ions in the growth mechanism of carbon nanotubes is presented in this study. Study of different conditions of gas phase activation sources and pressure is performed.

  9. Global warming

    Science.gov (United States)

    Houghton, John

    2005-06-01

    'Global warming' is a phrase that refers to the effect on the climate of human activities, in particular the burning of fossil fuels (coal, oil and gas) and large-scale deforestation, which cause emissions to the atmosphere of large amounts of 'greenhouse gases', of which the most important is carbon dioxide. Such gases absorb infrared radiation emitted by the Earth's surface and act as blankets over the surface keeping it warmer than it would otherwise be. Associated with this warming are changes of climate. The basic science of the 'greenhouse effect' that leads to the warming is well understood. More detailed understanding relies on numerical models of the climate that integrate the basic dynamical and physical equations describing the complete climate system. Many of the likely characteristics of the resulting changes in climate (such as more frequent heat waves, increases in rainfall, increase in frequency and intensity of many extreme climate events) can be identified. Substantial uncertainties remain in knowledge of some of the feedbacks within the climate system (that affect the overall magnitude of change) and in much of the detail of likely regional change. Because of its negative impacts on human communities (including for instance substantial sea-level rise) and on ecosystems, global warming is the most important environmental problem the world faces. Adaptation to the inevitable impacts and mitigation to reduce their magnitude are both necessary. International action is being taken by the world's scientific and political communities. Because of the need for urgent action, the greatest challenge is to move rapidly to much increased energy efficiency and to non-fossil-fuel energy sources.

  10. The gas-phase ozonolysis of α-humulene.

    Science.gov (United States)

    Beck, M; Winterhalter, R; Herrmann, F; Moortgat, G K

    2011-06-21

    α-Humulene contains three double bonds (DB), and after ozonolysis of the first DB the first-generation products are still reactive towards O(3) and produce second- and third-generation products. The primary aim of this study consisted of identifying the products of the three generations, focusing on the carboxylic acids, which are known to have a high aerosol formation potential. The experiments were performed in a 570 litre spherical glass reactor at 295 K and 730 Torr. Initial mixing ratios were 260-2090 ppb for O(3) and 250-600 ppb for α-humulene in synthetic air. Reactants and gas-phase products were measured by in situ FTIR spectroscopy. Particulate products were sampled on Teflon filters, extracted with methanol and analyzed by LC-MS/MS-TOF. Using cyclohexane (10-100 ppm) as an OH-radical scavenger and by monitoring the yield of cyclohexanone by PTR-MS, an OH-yield of (10.5 ± 0.7)% was determined for the ozonolysis of the first DB, and (12.9 ± 0.7)% of the first-generation products. The rate constant of the reaction of O(3) with α-humulene is known as k(0) = 1.17 × 10(-14) cm(3) molecule(-1) s(-1) [Y. Shu and R. Atkinson, Int. J. Chem. Kinet., 1994, 26, 1193-1205]. The reaction rate constants of O(3) with the first-generation products and the second-generation products were, respectively, determined as k(1) = (3.6 ± 0.9) × 10(-16) and k(2) = (3.0 ± 0.7) × 10(-17) cm(3) molecule(-1) s(-1) by Facsimile-simulation of the observed ozone decay by FTIR. A total of 37 compounds in the aerosol phase and 5 products in the gas phase were tentatively identified: 25 compounds of the first-generation products contained C13-C15 species, 9 compounds of the second-generation products contained C8-C11 species, whereas 8 compounds of the third-generation products contained C4-C6 species. The products of all three generations consisted of a variety of dicarboxylic-, hydroxy-oxocarboxylic- and oxo-carboxylic acids. The formation mechanisms of some of the products are

  11. 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......, there is significant difference in the structures, with a substantial increase in hydrogen bonds and exposure of hydrophobic parts in the gas phase. The structure of the salt bridge in the gas phase is also much more stable than in the (experimental) solution structure....

  12. Warm Molecular Gas Traced with CO J=7->6 in the Galaxy's Central 2 Parsecs: Dynamical Heating of the Circumnuclear Disk

    CERN Document Server

    Bradford, C M; Nikola, T; Bolatto, A D; Jackson, J M; Savage, M L; Davidson, J A

    2005-01-01

    We present an 11 arcsec resolution map of the central two parsecs of the Galaxy in the CO J =7->6 rotational transition. The CO emission shows rotation about Sgr A*, but also evidence for non-circular turbulent motion and a clumpy morphology. We combine our dataset with available CO measurements to model the physical conditions in the disk. We find that the molecular gas in the region is both warm and dense, with T~200-300 K, n_H2~50,000-70,000 cm^-3. The mass of warm molecular gas we measure in the central two parsecs is at least 2000 M_solar, about 20 times the UV-excited atomic gas mass, ruling out an UV heating scenario for the molecular material. We compare the available spectral tracers with theoretical models and conclude that molecular gas is heated with magneto-hydrodynamic shocks with v~10-20 kms and B~0.3-0.5 mG. Using the conditions derived with the CO analysis, we include the other important coolants--neutral oxygen and molecular hydrogen--to estimate the total cooling budget of the molecular mat...

  13. Contribution to the study of the efficiencies of a low emissions gas turbine during the start up phase; Contribution a l'etude des performances d'une turbine a gaz basses emissions en phase de demarrage

    Energy Technology Data Exchange (ETDEWEB)

    Pichouron, J.F.

    2004-03-15

    The use of a low emissions turbogenerator guarantees the range of a hybrid electrical vehicle in respect of the gas components maximum values set by the legislation, without any exhaust gas post-treatment. That is why the combustion chamber is designed for a lean premixed pre-vaporized combustion to ensure low emissions at steady operating. Nevertheless, during the cold starting phase, a gas-oil spray combustion is used to warm up the gas turbine and then smoke is observed in the exhaust gas. Spray ignition and combustion phenomena are greatly determined by the two phase properties (equivalence ratio, velocity, turbulence level) and spray characteristics, as we show with bench tests. The droplet history and the liquid-gas interaction is studied in both non-reacting and reacting situation with the computational fluid dynamic software Fluent. A series of stationary states represents the transient starting phase. The major role played by the droplet size and the injection timing is then clearly showed. For the multiphase turbulent combustion model, we develop a semi-detailed chemical mechanism. It is used to specify the spray characteristics which reduce the unburnt hydrocarbons and helps to determine the turbo-alternator cartography during the starting phase. (author)

  14. Gas-phase synthesis of semiconductor nanocrystals and its applications

    Science.gov (United States)

    Mandal, Rajib

    Luminescent nanomaterials is a newly emerging field that provides challenges not only to fundamental research but also to innovative technology in several areas such as electronics, photonics, nanotechnology, display, lighting, biomedical engineering and environmental control. These nanomaterials come in various forms, shapes and comprises of semiconductors, metals, oxides, and inorganic and organic polymers. Most importantly, these luminescent nanomaterials can have different properties owing to their size as compared to their bulk counterparts. Here we describe the use of plasmas in synthesis, modification, and deposition of semiconductor nanomaterials for luminescence applications. Nanocrystalline silicon is widely known as an efficient and tunable optical emitter and is attracting great interest for applications in several areas. To date, however, luminescent silicon nanocrystals (NCs) have been used exclusively in traditional rigid devices. For the field to advance towards new and versatile applications for nanocrystal-based devices, there is a need to investigate whether these NCs can be used in flexible and stretchable devices. We show how the optical and structural/morphological properties of plasma-synthesized silicon nanocrystals (Si NCs) change when they are deposited on stretchable substrates made of polydimethylsiloxane (PDMS). Synthesis of these NCs was performed in a nonthermal, low-pressure gas phase plasma reactor. To our knowledge, this is the first demonstration of direct deposition of NCs onto stretchable substrates. Additionally, in order to prevent oxidation and enhance the luminescence properties, a silicon nitride shell was grown around Si NCs. We have demonstrated surface nitridation of Si NCs in a single step process using non?thermal plasma in several schemes including a novel dual-plasma synthesis/shell growth process. These coated NCs exhibit SiNx shells with composition depending on process parameters. While measurements including

  15. Measurement of Gas-phase Acids in Diesel Exhaust

    Science.gov (United States)

    Wentzell, J. J.; Liggio, J.; Li, S.; Vlasenko, A. L.; Staebler, R. M.; Brook, J.; Lu, G.; Poitras, M.; Chan, T.

    2012-12-01

    Gas-phase acids were measured using chemical ionization mass spectrometry (CIMS) as part of the Diesel Engine Emission Research Experiment (DEERE). The CIMS technique, utilizing acetate ion (CH3COO-) as a reagent ion, proved to be a rapid (measurements on the order of seconds) and sensitive (several counts/pptv) method of quantifying the acid emissions. Diluted diesel exhaust measurements were made from a Constant Volume Sampling dilution tunnel using a light duty (1.9L turbocharged Volkswagen Jetta TDI) diesel engine equipped with an OEM diesel oxidation catalyst and exhaust gas recirculation, mounted on an engine dynamometer. Acids measured included isocyanic, nitrous, nitric, propionic and sum of lactic and oxalic, as well as other unidentified compounds. Complimentary measurements of CO, CO2, Total Hydrocarbon (THC), and NOx, were also performed. Several engine modes (different engine rpm and torque outputs) at steady state were examined to determine their effect on acid emissions. Emission rates with respect to NOx and fuel based emission factors were determined. Measurements of HONO fuel emission factors agree well with real-world measurements within a traffic tunnel.1 The first estimate of isocyanic acid emission factors from a diesel engine is reported, and suggests that the emission of this highly toxic compound in diesel exhaust should not be ignored. 1. Kurtenbach, R., Becker, K. H., Gomes, J. A. G., Kleffmann, J.,Lorzer, J. C., Spittler, M., Wiesen, P., Ackermann, R., Geyer, A.,and Platt, U.: Investigations of emissions and heterogeneous formation of HONO in a road traffic tunnel, Atmos. Environ., 35, 3385-3394, doi:10.1016/S1352-2310(01)00138-8, 2001.

  16. Direct gas-phase synthesis of single-phase {beta}-FeSi{sub 2} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Bywalez, Robert, E-mail: robert.bywalez@uni-due.de; Orthner, Hans; Mehmedovic, Ervin [University of Duisburg-Essen, IVG, Institute for Combustion and Gas Dynamics - Reactive Fluids (Germany); Imlau, Robert; Kovacs, Andras; Luysberg, Martina [Forschungszentrum Juelich, Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Gruenberg Institute 5 (Germany); Wiggers, Hartmut [University of Duisburg-Essen, IVG, Institute for Combustion and Gas Dynamics - Reactive Fluids (Germany)

    2013-09-15

    For the first time, phase-pure {beta}-FeSi{sub 2} nanoparticles were successfully produced by gas-phase synthesis. We present a method to fabricate larger quantities of semiconducting {beta}-FeSi{sub 2} nanoparticles, with crystallite sizes between 10 and 30 nm, for solar and thermoelectric applications utilizing a hot-wall reactor. A general outline for the production of those particles by thermal decomposition of silane and iron pentacarbonyl is provided based on kinetic data. The synthesized particles are investigated by X-ray diffraction and transmission electron microscopy, providing evidence that the as-prepared materials are indeed {beta}-FeSi{sub 2}, while revealing morphological characteristics inherent to the nanoparticles created.

  17. Concurrence of aqueous and gas phase contamination of groundwater in the Wattenberg oil and gas field of northern Colorado.

    Science.gov (United States)

    Li, Huishu; Son, Ji-Hee; Carlson, Kenneth H

    2016-01-01

    The potential impact of rapid development of unconventional oil and natural gas resources using hydraulic fracturing and horizontal drilling on regional groundwater quality has received significant attention. Major concerns are methane or oil/gas related hydrocarbon (such as TPHs, BTEX including benzene, toluene, ethybenzene and xylene) leaks into the aquifer due to the failure of casing and/or stray gas migration. Previously, we investigated the relationship between oil and gas activity and dissolved methane concentration in a drinking water aquifer with the major finding being the presence of thermogenic methane contamination, but did not find detectable concentrations of TPHs or BTEX. To understand if aqueous and gas phases from the producing formation were transported concurrently to drinking water aquifers without the presence of oil/gas related hydrocarbons, the ionic composition of three water groups was studied: (1) uncontaminated deep confined aquifer, (2) suspected contaminated groundwater - deep confined aquifer containing thermogenic methane, and (3) produced water from nearby oil and gas wells that would represent aqueous phase contaminants. On the basis of quantitative and spatial analysis, we identified that the "thermogenic methane contaminated" groundwater did not have similarities to produced water in terms of ionic character (e.g. Cl/TDS ratio), but rather to the "uncontaminated" groundwater. The analysis indicates that aquifer wells with demonstrated gas phase contamination have not been contacted by an aqueous phase from oil and gas operations according to the methodology we use in this study and the current groundwater quality data from COGCC. However, the research does not prove conclusively that this the case. The results may provide insight on contamination mechanisms since improperly sealed well casing may result in stray gas but not aqueous phase transport.

  18. Uridine Nucleoside Thiation: Gas-Phase Structures and Energetics

    Science.gov (United States)

    Hamlow, Lucas; Lee, Justin; Rodgers, M. T.; Berden, Giel; Oomens, Jos

    2016-06-01

    The naturally occurring thiated uridine nucleosides, 4-thiouridine (s4Urd) and 2-thiouridine (s2Urd), play important roles in the function and analysis of a variety of RNAs. 2-Thiouridine and its C5 modified analogues are commonly found in tRNAs and are believed to play an important role in codon recognition possibly due to their different structure, which has been shown by NMR to be predominantly C3'-endo. 2-Thiouridine may also play an important role in facilitating nonenzymatic RNA replication and transcription. 4-Thiouridine is a commonly used photoactivatable crosslinker that is often used to study RNA-RNA and RNA-protein cross-linking behavior. Differences in the base pairing between uracil and 4-thiouracil with adenine and guanine are an important factor in their role as a cross linker. The photoactivity of s4Urd may also aid in preventing near-UV lethality in cells. An understanding of their intrinsic structure in the gas-phase may help further elucidate the roles these modified nucleosides play in the regulation of RNAs. In this work, infrared multiple photon dissociation (IRMPD) action spectra of the protonated forms of s2Urd and s4Urd were collected in the IR fingerprint region. Structural information is determined by comparison with theoretical linear IR spectra generated from density functional theory calculations using molecular modeling to generate low-energy candidate structures. Present results are compared with analogous results for the protonated forms of uridine and 2'-deoxyuridine as well as solution phase NMR data and crystal structures.

  19. CHAOS II: Gas-Phase Abundances in NGC 5194

    CERN Document Server

    Croxall, Kevin V; Berg, Danielle; Skillman, Evan D; Moustakas, John

    2015-01-01

    We have observed NGC5194 (M51a) as part of the CHemical Abundances of Spirals (CHAOS) project. Using the Multi Object Double Spectrographs (MODS) on the Large Binocular Telescope (LBT) we are able to measure one or more of the temperature-sensitive auroral lines ([O III] 4363, [N II] 5755, [S III] 6312) and thus measure "direct" gas-phase abundances in 29 individual HII regions. [O III] 4363 is only detected in two HII regions both of which show indications of excitation by shocks. We compare our data to previous direct abundances measured in NGC5194 and find excellent agreement for all but one region (Delta[log(O/H)] ~ 0.04). We find no evidence of trends in Ar/O, Ne/O, or S/O within NGC5194 or compared to other galaxies. We find modest negative gradients in both O/H and N/O with very little scatter (sigma = -0.62) suggests secondary nitrogen production is responsible for a significantly larger fraction of nitrogen (e.g., factor of 8-10) relative to primary production mechanisms than predicted by theoretica...

  20. Gas Phase Conformations of Tetrapeptide Glycine-Phenylalanine-Glycine-Glycine

    Institute of Scientific and Technical Information of China (English)

    Hui-bin Chen; Yao Wang; Xin Chen; Zi-jing Lin

    2012-01-01

    Systematic search of the potential energy surface of tetrapeptide glycine-phenylalanineglycine-glycine (GFGG) in gas phase is conducted by a combination of PM3,HF and BHandHLYP methods.The conformational search method is described in detail.The relative electronic energies,zero point vibrational energies,dipole moments,rotational constants,vertical ionization energies and the temperature.dependent conformational distributions for a number of important conformers are obtained.The structural characteristics of these conformers are analyzed and it is found that the entropic effect is a dominating factor in determining the relative stabilities of the conformers.The measurements of dipole moments and some characteristic IR mode are shown to be effective approaches to verify the theoretical prediction.The structures of the low energy GFGG conformers are also analyzed in their connection with the secondary structures of proteins.Similarity between the local structures of low energy GFGG conformers and the α-helix is discussed and manyβ- and γ-turn local structures in GFGG conformers are found.

  1. Reactions of molecular dications in the gas phase

    CERN Document Server

    Tafadar, N N

    2001-01-01

    This thesis presents the results from a series of experiments investigating the reactivity of gas phase molecular dications with neutral collision partners, at collision energies between 3 and 13 eV in the laboratory frame using a crossed-beam apparatus. The experiments involve measurement of product ion intensities, which are determined by means of time of flight mass spectrometry. The experimental methodology, together with relevant theory is described in the thesis. The relative intensities of product ions formed are a powerful probe of the reaction mechanism. Where appropriate, the reactions are examined for isotope effects by using the isotopic analogue of the neutral collision partner. Our investigation of the CF sub 3 sup 2 sup + /Ar collision system shows neutral loss and electron transfer dominating the product ion yield. The variation of the neutral loss ion yield with collision energy provides a first estimate of the bond energy of the weak CF sub 2 sup 2 sup + -F bond. Ab initio calculations indic...

  2. Visible and ultraviolet spectroscopy of gas phase rhodamine 575 cations.

    Science.gov (United States)

    Daly, Steven; Kulesza, Alexander; Knight, Geoffrey; MacAleese, Luke; Antoine, Rodolphe; Dugourd, Philippe

    2015-06-04

    The visible and ultraviolet spectroscopy of gas phase rhodamine 575 cations has been studied experimentally by action-spectroscopy in a modified linear ion trap between 220 and 590 nm and by time-dependent density functional theory (TDDFT) calculations. Three bands are observed that can be assigned to the electronic transitions S0 → S1, S0 → S3, and S0 → (S8,S9) according to the theoretical prediction. While the agreement between theory and experiment is excellent for the S3 and S8/S9 transitions, a large shift in the value of the calculated S1 transition energy is observed. A theoretical analysis of thermochromism, potential vibronic effects, and-qualitatively-electron correlation revealed it is mainly the latter that is responsible for the failure of TDDFT to accurately reproduce the S1 transition energy, and that a significant thermochromic shift is also present. Finally, we investigated the nature of the excited states by analyzing the excitations and discussed their different fragmentation behavior. We hypothesize that different contributions of local versus charge transfer excitations are responsible for 1-photon versus 2-photon fragmentation observed experimentally.

  3. Surface plasmon sensing of gas phase contaminants using optical fiber.

    Energy Technology Data Exchange (ETDEWEB)

    Thornberg, Steven Michael; White, Michael I.; Rumpf, Arthur Norman; Pfeifer, Kent Bryant

    2009-10-01

    Fiber-optic gas phase surface plasmon resonance (SPR) detection of several contaminant gases of interest to state-of-health monitoring in high-consequence sealed systems has been demonstrated. These contaminant gases include H{sub 2}, H{sub 2}S, and moisture using a single-ended optical fiber mode. Data demonstrate that results can be obtained and sensitivity is adequate in a dosimetric mode that allows periodic monitoring of system atmospheres. Modeling studies were performed to direct the design of the sensor probe for optimized dimensions and to allow simultaneous monitoring of several constituents with a single sensor fiber. Testing of the system demonstrates the ability to detect 70mTorr partial pressures of H{sub 2} using this technique and <280 {micro}Torr partial pressures of H{sub 2}S. In addition, a multiple sensor fiber has been demonstrated that allows a single fiber to measure H{sub 2}, H{sub 2}S, and H{sub 2}O without changing the fiber or the analytical system.

  4. Direct Numerical Simulation of biomass pyrolysis and combustion with gas phase reactions

    NARCIS (Netherlands)

    Aswasthi, A.; Kuerten, J.G.M.; Geurts, B.J.

    2016-01-01

    We present Direct Numerical Simulation of biomass pyrolysis and combustion in a turbulent channel flow. The model includes simplified models for biomass pyrolysis and char combustion along with a model for particle tracking. The gas phase is modelled as a mixture of reacting gas species. The gas-pa

  5. Using Pre-melted Phase Change Material to Keep Payload Warm without Power for Hours in Space

    Science.gov (United States)

    Choi, Michael K.

    2012-01-01

    During a payload transition from the transport vehicle to its worksite on the International Space Station (ISS), the payload is unpowered for up to 6 hours. Its radiator(s) will continue to radiate heat to space. It is necessary to make up the heat loss to maintain the payload temperature above the cold survival limit. Typically an interplanetary Probe has no power generation system. It relies on its battery to provide limited power for the Communication and Data Handling (C&DH) subsystem during cruise, and heater power is unavailable. It is necessary to maintain the C&DH temperature above the minimum operating limit. This paper presents a novel thermal design concept that utilizes phase change material (PCM) to store thermal energy by melting it before the payload or interplanetary Probe is unpowered. For the ISS, the PCM is melted by heaters just prior to the payload transition from the transport vehicle to its worksite. For an interplanetary Probe, the PCM is melted by heaters just prior to separation from the orbiter. The PCM releases thermal energy to keep the payload warm for several hours after power is cut off.

  6. DEMONSTRATION OF FUEL CELLS TO RECOVER ENERGY FROM LANDFILL GAS: PHASE II. PRETREATMENT SYSTEM PERFORMANCE MEASUREMENT

    Science.gov (United States)

    The report describes Phase II of a demonstration of the utilization of commercial phosphoric acid fuel cells to recover energy from landfill gas. This phase consisted primarily of the construction and testing of a Gas Pretreatment Unit (GPU) whose function is to remove those impu...

  7. Development of Peptide Nanotube-Modified Biosensors for Gas-Phase Organophosphate Detection

    Science.gov (United States)

    2013-03-01

    Chemistry, vol. 78: 835-843, 2006. 23. Marrs, T. C., Organophosphate Poisoning , Pharmaceutical Therapy, vol. 58: 51- 66, 1993. 24. Mlsna, T. E...DEVELOPMENT OF PEPTIDE NANOTUBE-MODIFIED BIOSENSORS FOR GAS-PHASE ORGANOPHOSPHATE DETECTION...States. AFIT-ENV-13-M-35 DEVELOPMENT OF PEPTIDE NANOTUBE-MODIFIED BIOSENSORS FOR GAS-PHASE ORGANOPHOSPHATE DETECTION THESIS Presented

  8. NUMERICAL SIMULATION OF CHARGED GAS-LIQUID TWO PHASE JET FLOW IN ELECTROSTATIC SPRAYING

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Multi-fluid k-ε-kp two phase turbulence model is used to simulate charged gas-liquid two phase coaxial jet, which is the transorting flow field in electrostatic spraying. Compared with the results of experiment, charged gas-liquid twophase turbulence can be well predicted by this model.

  9. A Pair of O VI and Broad Ly-alpha Absorbers Probing Warm Gas in a Galaxy Group Environment at z ~ 0.4

    CERN Document Server

    Pachat, Sachin; Muzahid, Sowgat; Khaire, Vikram; Srianand, Raghunathan; Wakker, Bart P; Savage, Blair D

    2016-01-01

    We report on the detection of two O VI absorbers separated in velocity by 710 km/s at z ~ 0.4 towards the background quasar SBS0957+599. Both absorbers are multiphase systems tracing substantial reservoirs of warm baryons. The low and intermediate ionization metals in the first absorber is consistent with an origin in photoionized gas. The O VI has a velocity structure different from other metal species. The Ly-alpha shows the presence of a broad feature. The line widths for O VI and the broad Ly-alpha suggest T = 7.1 x 10^5 K. This warm medium is probing a baryonic column which is an order of magnitude more than the total hydrogen in the cooler photoionized gas. The second absorber is detected only in H I and O VI. Here the temperature of 4.6 x 10^4 K supports O VI originating in a low-density photoionized gas. A broad component is seen in the Ly-alpha, offset from the O VI. The temperature in the broad Ly-alpha is T < 2.1 x 10^5 K. The absorbers reside in a galaxy overdensity region with 7 spectroscopica...

  10. School Heating - Gas vs. Electric. Phase 1A - Effect on Construction Costs, (Updating Phase 1 Report Dated January 1965).

    Science.gov (United States)

    Valvoda, Frank R.

    Phase 1A updates the original study of January 1965 and contains the sevenmost recent schools which in their development stages were bid for both gas and electric heating systems. In all cases the bids were for first cost, not for ultimate operating expense. Although the differences were relatively minor, six out of the seven gas bids were lower…

  11. 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.

  12. 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.

  13. CHOOSING STRUCTURE-DEPENDENT DRAG COEFFICIENT IN MODELING GAS-SOLID TWO-PHASE FLOW

    Institute of Scientific and Technical Information of China (English)

    Ning Yang; Wei Wang; Wei Ge; Jinghai Li

    2003-01-01

    @@ Introduction Gas-solid two-phase flow is often encountered in chemical reactors for the process industry. For industrial users, design, scale-up, control and optimization for these reactors require a good understanding of the hydrodynamics of gas-solid two-phase flow. For researchers, exploration and prediction of the complex phenomena call for a good comprehension of the heterogeneous structure and of the dominant mechanisms of gas-solid and solid-solid interactions.

  14. Impacts of the Manaus pollution plume on the microphysical properties of Amazonian warm-phase clouds in the wet season

    Science.gov (United States)

    Cecchini, Micael A.; Machado, Luiz A. T.; Comstock, Jennifer M.; Mei, Fan; Wang, Jian; Fan, Jiwen; Tomlinson, Jason M.; Schmid, Beat; Albrecht, Rachel; Martin, Scot T.; Artaxo, Paulo

    2016-06-01

    The remote atmosphere over the Amazon can be similar to oceanic regions in terms of aerosol conditions and cloud type formations. This is especially true during the wet season. The main aerosol-related disturbances over the Amazon have both natural sources, such as dust transport from Africa, and anthropogenic sources, such as biomass burning or urban pollution. The present work considers the impacts of the latter on the microphysical properties of warm-phase clouds by analysing observations of the interactions between the Manaus pollution plume and its surroundings, as part of the GoAmazon2014/5 Experiment. The analysed period corresponds to the wet season (specifically from February to March 2014 and corresponding to the first Intensive Operating Period (IOP1) of GoAmazon2014/5). The droplet size distributions reported are in the range 1 µm ≤ D ≤ 50 µm in order to capture the processes leading up to the precipitation formation. The wet season largely presents a clean background atmosphere characterized by frequent rain showers. As such, the contrast between background clouds and those affected by the Manaus pollution can be observed and detailed. The focus is on the characteristics of the initial microphysical properties in cumulus clouds predominantly at their early stages. The pollution-affected clouds are found to have smaller effective diameters and higher droplet number concentrations. The differences range from 10 to 40 % for the effective diameter and are as high as 1000 % for droplet concentration for the same vertical levels. The growth rates of droplets with altitude are slower for pollution-affected clouds (2.90 compared to 5.59 µm km-1), as explained by the absence of bigger droplets at the onset of cloud development. Clouds under background conditions have higher concentrations of larger droplets (> 20 µm) near the cloud base, which would contribute significantly to the growth rates through the collision-coalescence process. The overall shape

  15. Impacts of the Manaus pollution plume on the microphysical properties of Amazonian warm-phase clouds in the wet season

    Energy Technology Data Exchange (ETDEWEB)

    Cecchini, Micael A.; Machado, Luiz A. T.; Comstock, Jennifer M.; Mei, Fan; Wang, Jian; Fan, Jiwen; Tomlinson, Jason M.; Schmid, Beat; Albrecht, Rachel; Martin, Scot T.; Artaxo, Paulo

    2016-01-01

    The remote atmosphere over the Amazon can be similar to oceanic regions in terms of aerosol conditions and cloud type formations. This is especially true during the wet season. The main aerosol-related disturbances over the Amazon have both natural sources, such as dust transport from Africa, and anthropogenic sources, such as biomass burning or urban pollution. The present work considers the impacts of the latter on the microphysical properties of warm-phase clouds by analysing observations of the interactions between the Manaus pollution plume and its surroundings, as part of the GoAmazon2014/5 Experiment. The analysed period corresponds to the wet season (specifically from February to March 2014 and corresponding to the first Intensive Operating Period (IOP1) of GoAmazon2014/5). The droplet size distributions reported are in the range 1 µm ≤ D≤50 µm in order to capture the processes leading up to the precipitation formation. The wet season largely presents a clean background atmosphere characterized by frequent rain showers. As such, the contrast between background clouds and those affected by the Manaus pollution can be observed and detailed. The focus is on the characteristics of the initial microphysical properties in cumulus clouds predominantly at their early stages. The pollution-affected clouds are found to have smaller effective diameters and higher droplet number concentrations. The differences range from 10 to 40% for the effective diameter and are as high as 1000% for droplet concentration for the same vertical levels. The growth rates of droplets with altitude are slower for pollution-affected clouds (2.90 compared to 5.59 µm km₋1), as explained by the absence of bigger droplets at the onset of cloud development. Clouds under background conditions have higher concentrations of larger droplets (>20 µm) near the cloud base, which would contribute significantly to the growth rates through the collision

  16. A stable aminothioketyl radical in the gas phase.

    Science.gov (United States)

    Zimnicka, Magdalena; Gregersen, Joshua A; Tureček, František

    2011-07-06

    We report the first preparation of a stable aminothioketyl radical, CH(3)C(•)(SH)NHCH(3) (1), by fast electron transfer to protonated thioacetamide in the gas phase. The radical was characterized by neutralization-reionization mass spectrometry and ab initio calculations at high levels of theory. The unimolecular dissociations of 1 were elucidated with deuterium-labeled radicals CH(3)C(•)(SD)NHCH(3) (1a), CH(3)C(•)(SH)NDCH(3) (1b), CH(3)C(•)(SH)NHCD(3) (1c), and CD(3)C(•)(SH)NHCH(3) (1d). The main dissociations of 1 were a highly specific loss of the thiol H atom and a specific loss of the N-methyl group, which were competitive on the potential energy surface of the ground electronic state of the radical. RRKM calculations on the CCSD(T)/aug-cc-pVTZ potential energy surface indicated that the cleavage of the S-H bond in 1 dominated at low internal energies, E(int) < 232 kJ mol(-1). The cleavage of the N-CH(3) bond was calculated to prevail at higher internal energies. Loss of the thiol hydrogen atom can be further enhanced by dissociations originating from the B excited state of 1 when accessed by vertical electron transfer. Hydrogen atom addition to the thioamide sulfur atom is calculated to have an extremely low activation energy that may enable the thioamide group to function as a hydrogen atom trap in peptide radicals. The electronic properties and reactivity of the simple aminothioketyl radical reported here may be extrapolated and applied to elucidate the chemistry of thioxopeptide radicals and cation radicals of interest to protein structure studies.

  17. Histidine-containing radicals in the gas phase.

    Science.gov (United States)

    Turecek, Frantisek; Yao, Chunxiang; Fung, Y M Eva; Hayakawa, Shigeo; Hashimoto, Mami; Matsubara, Hiroshi

    2009-05-21

    Radicals containing the histidine residue have been generated in the gas phase by femtosecond electron transfer to protonated histidine-N-methylamide (1H+), Nalpha-acetylhistidine-N-methylamide (2H+), Nalpha-glycylhistidine (3H+), and Nalpha-histidylglycine (4H+). Radicals generated by collisional electron transfer from dimethyldisulfide to ions 1H+ and 2H+ at 7 keV collision energies were found to dissociate completely on the microsecond time scale, as probed by reionization to cations. The main dissociations produced fragments from the imidazole side chain and the cleavage of the C(alpha)CO bond, whereas products of NCalpha bond cleavage were not observed. Electron transfer from gaseous potassium atoms to ions 3H+ and 4H+ at 2.97 keV collision energies not only caused backbone NCalpha bond dissociations but also furnished fractions of stable radicals that were detected after conversion to anions. Ion structures, ion-electron recombination energies, radical structures, electron affinities, and dissociation and transition-state energies were obtained by combined density functional theory and Møller-Plesset perturbational calculations (B3-PMP2) and basis sets ranging from 6-311+G(2d,p) to aug-cc-pVTZ. The Rice-Ramsperger-Kassel-Marcus theory was used to calculate rate constants on the B3-PMP2 potential energy surfaces to aid interpretation of the mass spectrometric data. The stability of Nalpha-histidylglycine-derived radicals is attributed to an exothermic isomerization in the imidazole ring, which is internally catalyzed by reversible proton transfer from the carboxyl group. The isomerization depends on the steric accessibility of the histidine side chain and the carboxyl group and involves a novel cation radical-COO salt-bridge intermediate.

  18. CHAOS III: Gas-phase Abundances in NGC 5457

    Science.gov (United States)

    Croxall, Kevin V.; Pogge, Richard W.; Berg, Danielle A.; Skillman, Evan D.; Moustakas, John

    2016-10-01

    We present Large Binocular Telescope observations of 109 H ii regions in NGC 5457 (M101) obtained with the Multi-Object Double Spectrograph. We have robust measurements of one or more temperature-sensitive auroral emission lines for 74 H ii regions, permitting the measurement of “direct” gas-phase abundances. Comparing the temperatures derived from the different ionic species, we find: (1) strong correlations of T[N ii] with T[S iii] and T[O iii], consistent with little or no intrinsic scatter; (2) a correlation of T[S iii] with T[O iii], but with significant intrinsic dispersion; (3) overall agreement between T[N ii], T[S ii], and T[O ii], as expected, but with significant outliers; (4) the correlations of T[N ii] with T[S iii] and T[O iii] match the predictions of photoionization modeling while the correlation of T[S iii] with T[O iii] is offset from the prediction of photoionization modeling. Based on these observations, which include significantly more observations of lower excitation H ii regions, missing in many analyses, we inspect the commonly used ionization correction factors (ICFs) for unobserved ionic species and propose new empirical ICFs for S and Ar. We have discovered an unexpected population of H ii regions with a significant offset to low values in Ne/O, which defies explanation. We derive radial gradients in O/H and N/O which agree with previous studies. Our large observational database allows us to examine the dispersion in abundances, and we find intrinsic dispersions of 0.074 ± 0.009 in O/H and 0.095 ± 0.009 in N/O (at a given radius). We stress that this measurement of the intrinsic dispersion comes exclusively from direct abundance measurements of H ii regions in NGC 5457.

  19. Gas-Phase Combustion Synthesis of Nonoxide Nanoparticles in Microgravity

    Science.gov (United States)

    Axelbaum, R. L.; Kumfer, B. M.; Sun, Z.; Chao, B. H.

    2001-01-01

    Gas-phase combustion synthesis is a promising process for creating nanoparticles for the growing nanostructure materials industry. The challenges that must be addressed are controlling particle size, preventing hard agglomerates, maintaining purity, and, if nonoxides are synthesized, protecting the particles from oxidation and/or hydrolysis during post-processing. Sodium-halide Flame Encapsulation (SFE) is a unique methodology for producing nonoxide nanoparticles that addresses these challenges. This flame synthesis process incorporates sodium and metal-halide chemistry, resulting in nanoparticles that are encapsulated in salt during the early stages of their growth in the flame. Salt encapsulation has been shown to allow control of particle size and morphology, while serving as an effective protective coating for preserving the purity of the core particles. Metals and compounds that have been produced using this technology include Al, W, Ti, TiB2, AlN, and composites of W-Ti and Al-AlN. Oxygen content in SFE synthesized nano- AlN has been measured by neutron activation analysis to be as low as 0.54wt.%, as compared to over 5wt.% for unprotected AlN of comparable size. The overall objective of this work is to study the SFE process and nano-encapsulation so that they can be used to produce novel and superior materials. SFE experiments in microgravity allow the study of flame and particle dynamics without the influence of buoyancy forces. Spherical sodium-halide flames are produced in microgravity by ejecting the halide from a spherical porous burner into a quiescent atmosphere of sodium vapor and argon. Experiments are performed in the 2.2 sec Drop Tower at the NASA-Glenn Research Center. Numerical models of the flame and particle dynamics were developed and are compared with the experimental results.

  20. Gas-Phase Combustion Synthesis of Aluminum Nitride Powder

    Science.gov (United States)

    Axelbaum, R. L.; Lottes, C. R.; Huertas, J. I.; Rosen, L. J.

    1996-01-01

    Due to its combined properties of high electrical resistivity and high thermal conductivity aluminum nitride (AlN) is a highly desirable material for electronics applications. Methods are being sought for synthesis of unagglomerated, nanometer-sized powders of this material, prepared in such a way that they can be consolidated into solid compacts having minimal oxygen content. A procedure for synthesizing these powders through gas-phase combustion is described. This novel approach involves reacting AlCl3, NH3, and Na vapors. Equilibrium thermodynamic calculations show that 100% yields can be obtained for these reactants with the products being AlN, NaCl, and H2. The NaCl by-product is used to coat the AlN particles in situ. The coating allows for control of AlN agglomeration and protects the powders from hydrolysis during post-flame handling. On the basis of thermodynamic and kinetic considerations, two different approaches were employed to produce the powder, in co-flow diffusion flame configurations. In the first approach, the three reactants were supplied in separate streams. In the second, the AlCl3 and NH3 were premixed with HCl and then reacted with Na vapor. X-ray diffraction (XRD) spectra of as-produced powders show only NaCl for the first case and NaCl and AlN for the second. After annealing at 775 C tinder dynamic vacuum, the salt was removed and XRD spectra of powders from both approaches show only AlN. Aluminum metal was also produced in the co-flow flame by reacting AlCl3 with Na. XRD spectra of as-produced powders show the products to be only NaCl and elemental aluminum.

  1. Gas phase depletion and flow dynamics in horizontal MOCVD reactors

    Science.gov (United States)

    Van de Ven, J.; Rutten, G. M. J.; Raaijmakers, M. J.; Giling, L. J.

    1986-08-01

    Growth rates of GaAs in the MOCVD process have been studied as a function of both lateral and axial position in horizontal reactor cells with rectangular cross-sections. A model to describe growth rates in laminar flow systems on the basis of concentration profiles under diffusion controlled conditions has been developed. The derivation of the growth rate equations includes the definition of an entrance length for the concentration profile to developed. In this region, growth rates appear to decrease with the 1/3 power of the axial position. Beyond this region, an exponential decrease is found. For low Rayleigh number conditions, the present experimental results show a very satisfactory agreement with the model without parameter fitting for both rectangular and tapered cells, and with both H 2 and N 2 as carrier gases. Theory also predicts that uniform deposition can be obtained over large areas in the flow direction for tapered cells, which has indeed been achieved experimentally. The influence of top-cooling in the present MOCVD system has been considered in more detail. From the experimental results, conclusions could be drawn concerning the flow characteristics. For low Rayleigh numbers (present study ≲ 700) it follows that growth rate distributions correspond with forced laminar flow characteristics. For relatively high Rayleigh numbers (present work 1700-2800), free convective effects with vortex formation are important. These conclusions are not specific for the present system, but apply to horizontal cold-wall reactors in general. On the basis of the present observations, recommendations for a cell design to obtain large area homogeneous deposition have been formulated. In addition, this work supports the conclusion that the final decomposition of trimethylgallium in the MOCVD process mainly takes place at the hot substrate and susceptor and not in the gas phase.

  2. Disgas, a new model for passive gas dispersion. Early applications for the warm gases emitted by Solfatara (Campi Flegrei, Italy)

    OpenAIRE

    D. Granieri; COSTA, A.; Macedonio, G.; Chiodini, G.(INFN Sezione di Lecce, Lecce, Italy); Bisson, M.; Avino, R.; Caliro, S

    2011-01-01

    A model to describe the cloud dispersion of gas denser than air is presented here. The dispersion of heavy gas is basically governed by the gravity but, when the density contrast (gas vs air) is not important the dispersion is controlled by the wind and atmospheric turbulence (so-called “passive dispersion”). DisGas is a model for dense gases which are dispersed under passive conditions, based on the full solution of the advection-diffusion equations for the gas concentration (Sankaranarayana...

  3. Research of Characteristics of Gas-liquid Two-phase Pressure Drop in Microreactor

    Directory of Open Access Journals (Sweden)

    Li Dan

    2015-01-01

    Full Text Available With the research system of nitrogen and deionized water, this paper researches the pressure drop of gas-liquid two-phase flow in the circular microchannel with an inner diameter which is respectively 0.9mm and 0.5mm, analyzes the effect of microchannel diameter on gas-liquid two-phase frictional pressure drop in the microchannel reactor, and compares with the result of frictional pressure drop and the predicting result of divided-phase flow pattern. The result shows that, the gas-liquid two-phase frictional pressure drop in the microchannel significantly increases with the decreasing microchannel diameter; Lockhart-Martinelli relationship in divided-phase flow pattern can preferably predict the gas-liquid two-phase frictional pressure drop in the microchannel, but the Tabular constant needs to be corrected.

  4. Phase Diagram and Phase Separation of a Trapped Interacting Bose-Fermi Gas Mixture

    Institute of Scientific and Technical Information of China (English)

    MA Yong-Li

    2004-01-01

    @@ In six different regimes for a spatial phase diagram of a trapped interacting Bose-Fermi gas mixture at low temperatures, we present the conditions for the spatial demixing and separation of bosons and fermions. Starting from a semiclassically thermodynamic model for the local density functional of thermal bosons and fermions,the explicit analytical expressions for the fugacities of bosons and fermions are derived in different regimes by means of a first-order perturbation method in a local-density approximation. The critical values of the fermionboson interaction strength as a function of the fractional composition of fermions have a general feature: increase,extreme and decrease with increasing the fermionic composition slightly above Bose-Einstein critical temperature.

  5. Gas-phase synthesis of hexagonal and cubic phases of aluminum nitride: A method and its advantages

    Science.gov (United States)

    Kudyakova, V. S.; Bannikov, V. V.; Elagin, A. A.; Shishkin, R. A.; Baranov, M. V.; Beketov, A. R.

    2016-03-01

    Experimental results obtained in AlN synthesis by the high-temperature gas-phase method and analysis of reaction products phase composition are briefly described. It is demonstrated for the first time that dispersed aluminum nitride can be synthesized by this method from AlF3 in both hexagonal and cubic modifications.

  6. CO2 Capture from Flue Gas by Phase Transitional Absorption

    Energy Technology Data Exchange (ETDEWEB)

    Liang Hu

    2009-06-30

    A novel absorption process called Phase Transitional Absorption was invented. What is the Phase Transitional Absorption? Phase Transitional Absorption is a two or multi phase absorption system, CO{sub 2} rich phase and CO{sub 2} lean phase. During Absorption, CO{sub 2} is accumulated in CO{sub 2} rich phase. After separating the two phases, CO{sub 2} rich phase is forward to regeneration. After regeneration, the regenerated CO{sub 2} rich phase combines CO{sub 2} lean phase to form absorbent again to complete the cycle. The advantage for Phase Transitional Absorption is obvious, significantly saving on regeneration energy. Because CO{sub 2} lean phase was separated before regeneration, only CO{sub 2} rich phase was forward to regeneration. The absorption system we developed has the features of high absorption rate, high loading and working capacity, low corrosion, low regeneration heat, no toxic to environment, etc. The process evaluation shows that our process is able to save 80% energy cost by comparing with MEA process.

  7. Warm Molecular Gas Traced with CO J = 7 --> 6 in the Galaxy's Central 2 Parsecs: Dynamical Heating of the Circumnuclear Disks

    Science.gov (United States)

    Bradford, C. M.; Stacey, G. J.; Nikola, T.; Bolatto, A. D.; Jackson, J. M.; Savage, M. L.; Davidson, J. A.

    2005-01-01

    We present an 11" resolution map of the central 2 pc of the Galaxy in the CO J = 7 --> 6 rotational transition. The CO emission shows rotation about Sgr A* but also evidence for noncircular turbulent motion and a clumpy morphology. We combine our data set with available CO measurements to model the physical conditions in the disk. We find that the molecular gas in the region is both warm and dense, with T approx. 200-300 K and n(sub H2) approx. (5-7) x 10(exp 4) cm(exp -3). The mass of warm molecular gas we measure in the central 2 pc is at least 2000 M(solar), about 20 times the UV-excited atomic gas mass, ruling out a UV heating scenario for the molecular material. We compare the available spectral tracers with theoretical models and conclude that molecular gas is heated with magnetohydrodynamic shocks with v approx. 10-20 km s(exp -1) and B approx. 0.3- 0.5 mG. Using the conditions derived with the CO analysis, we include the other important coolants, neutral oxygen and molecular hydrogen, to estimate the total cooling budget of the molecular material. We derive a mass-to-luminosity ratio of approx. 2-3 M(solar)(L(solar)exp -1), which is consistent with the total power dissipated via turbulent decay in 0.1 pc cells with v(sub rms) approx. 15 kilometers per second. These size and velocity scales are comparable to the observed clumping scale and the velocity dispersion. At this rate, the material near Sgr A* is dissipating its orbital energy on an orbital timescale and cannot last for more than a few orbits. Our conclusions support a scenario in which the features near Sgr A* such as the circumnuclear disk and northern arm are generated by infalling clouds with low specific angular momentum.

  8. Gas phase dispersion in compost as a function of different water contents and air flow rates

    Science.gov (United States)

    Sharma, Prabhakar; Poulsen, Tjalfe G.

    2009-07-01

    Gas phase dispersion in a natural porous medium (yard waste compost) was investigated as a function of gas flow velocity and compost volumetric water content using oxygen and nitrogen as tracer gases. The compost was chosen because it has a very wide water content range and because it represents a wide range of porous media, including soils and biofilter media. Column breakthrough curves for oxygen and nitrogen were measured at relatively low pore gas velocities, corresponding to those observed in for instance soil vapor extraction systems or biofilters for air cleaning at biogas plants or composting facilities. Total gas mechanical dispersion-molecular diffusion coefficients were fitted from the breakthrough curves using a one-dimensional numerical solution to the advection-dispersion equation and used to determine gas dispersivities at different volumetric gas contents. The results showed that gas mechanical dispersion dominated over molecular diffusion with mechanical dispersion for all water contents and pore gas velocities investigated. Importance of mechanical dispersion increased with increasing pore gas velocity and compost water content. The results further showed that gas dispersivity was relatively constant at high values of compost gas-filled porosity but increased with decreasing gas-filled porosity at lower values of gas-filled porosity. Results finally showed that measurement uncertainty in gas dispersivity is generally highest at low values of pore gas velocity.

  9. Improved thermodynamic analysis of gas reactions for compound semiconductor growth by vapor-phase epitaxy

    Science.gov (United States)

    Inatomi, Yuya; Kangawa, Yoshihiro; Kakimoto, Koichi; Koukitu, Akinori

    2017-03-01

    An improved thermodynamic analysis method for vapor-phase epitaxy is proposed. In the conventional method, the mass-balance constraint equations are expressed in terms of variations in partial pressure. Although the conventional method is appropriate for gas-solid reactions occurring near the growth surface, it is not suitable for gas reactions that involve changes in the number of gas molecules. We reconsider the constraint equations in order to predict the effect of gas reactions on semiconductor growth processes. To demonstrate the feasibility of the improved method, the growth process of group-III nitrides by metalorganic vapor-phase epitaxy has been investigated.

  10. Mm/submm Study of Gas-Phase Photoproducts from Methanol Interstellar Ice Analogues

    Science.gov (United States)

    Mesko, AJ; Smith, Houston Hartwell; Milam, Stefanie N.; Widicus Weaver, Susanna L.

    2016-06-01

    Icy grain reactions have gained quite the popularity in the astrochemistry community to explain the formation of complex organic molecules. Through temperature programmed desorption and photolysis experiments we use rotational spectroscopy to measure the gas-phase products of icy grain reactions. Previous results include testing detection limits of the system by temperature programmed desorption of methanol and water ices, photochemistry of gas-phase methanol, and detection of photodesorbed water from a pure water ice surface. Current work that will be discussed focuses on the detection of gas-phase CO and other photoproducts from an ice surface.

  11. The gas-phase thermal chemistry of tetralin and related model systems

    Energy Technology Data Exchange (ETDEWEB)

    Malandra, J.

    1993-05-01

    The thesis is divided into 5 papers: gas-phase thermal decomposition of tetralin; flash vacuum pyrolysis of 3-benzocycloheptenone and 1,3, 4,5-tetrahydro-2-benzothiepin-2,2-dioxide (model systems for gas-phase pyrolysis of tetralin); high-temperature gas-phase reactions of o-allylbenzyl radicals generated by flash vacuum pyrolysis of is(o-allylbenzyl) oxalate; flash vacuum pyrolysis of 1,4-diphenylbutane; and flash vacuum pyrolysis of o-allyltoluene, o-(3-butenyl)toluene and o-(pentenyl)toluene were also used.

  12. Research of Characteristics of Gas-liquid Two-phase Pressure Drop in Microreactor

    OpenAIRE

    Li Dan

    2015-01-01

    With the research system of nitrogen and deionized water, this paper researches the pressure drop of gas-liquid two-phase flow in the circular microchannel with an inner diameter which is respectively 0.9mm and 0.5mm, analyzes the effect of microchannel diameter on gas-liquid two-phase frictional pressure drop in the microchannel reactor, and compares with the result of frictional pressure drop and the predicting result of divided-phase flow pattern. The result shows that, the gas-liquid two-...

  13. Local Gas Phase Flow Characteristics of a Gas—Liquid—Solid Three—Phase Reversed Flow Jet Loop Reactor

    Institute of Scientific and Technical Information of China (English)

    WENJianping; ChenYunlin; 等

    2002-01-01

    The local gas-phase flow characteristics such as local gas holdup (εg), local bubble velocity (Vb) and local bubble mean diameter(db) at a specified point in a gas-liquid-solid three-phase reversed flow jet loop reactor was experimentally investigated by a five-point conductivity probe. The effects of gas jet flow rate, liquid jet flow rate, solid loading, nozzle diameter and axial position on the local εg,Vb and db profiles were discussed. The presence of solids at low solid concentrations not only increased the local εg and Vb, but also decreased the local db. The optimum solid olading for the maximum local εg and Vb together with the minimum local db was 0.16×10-3m3, corresponding to a solid volume fraction,εS=2.5%.

  14. Crystal-liquid-gas phase transitions and thermodynamic similarity

    CERN Document Server

    Skripov, Vladimir P; Schmelzer, Jurn W P

    2006-01-01

    Professor Skripov obtained worldwide recognition with his monograph ""Metastable liquids"", published in English by Wiley & Sons. Based upon this work and another monograph published only in Russia, this book investigates the behavior of melting line and the properties of the coexisting crystal and liquid phase of simple substances across a wide range of pressures, including metastable states of the coexisting phases. The authors derive new relations for the thermodynamic similarity for liquid-vapour phase transition, as well as describing solid-liquid, liquid-vapor and liquid-liquid phase tra

  15. Separation of Flue Gas Components by SILP (Supported Ionic Liquid-Phase) Absorbers

    DEFF Research Database (Denmark)

    Thomassen, P.; Kunov-Kruse, Andreas Jonas; Mossin, Susanne L.

    2013-01-01

    -Phase (SILP) absorber materials. The use of solid SILP absorbers with selected ILs were found to significantly improve the absorption capacity and sorption dynamics at low flue gas concentration, thus making the applicability of ILs viable in technical, continuous flow processes for flue gas cleaning......Reversible absorption of the flue gas components CO2, NO, NO2 and SO2 has been tested for different ionic liquids (ILs) at different temperatures and flue gas compositions where porous, high surface area carriers have been applied as supports for the ionic liquids to obtain Supported Ionic Liquid....... The results show that CO2, NO and SO2 can be reversible and selective absorbed using different ILs and that Supported Ionic Liquid-Phase (SILP) absorbers are promising materials for industrial flue gas cleaning. Absorption/desorption dynamics can be tuned by temperature, pressure and gas concentration. © 2012...

  16. Fluorescence resonance energy transfer of gas-phase ions under ultra high vacuum and ambient conditions.

    Science.gov (United States)

    Frankevich, Vladimir; Chagovets, Vitaliy; Widjaja, Fanny; Barylyuk, Konstantin; Yang, Zhiyi; Zenobi, Renato

    2014-05-21

    We report evidence for fluorescence resonance energy transfer (FRET) of gas-phase ions under ultra high vacuum conditions (10(-9) mbar) inside a mass spectrometer as well as under ambient conditions inside an electrospray plume. Two different FRET pairs based on carboxyrhodamine 6G (donor) and ATTO590 or Bodipy TR (acceptor) dyes were examined and their gas-phase optical properties were studied. Our measurements indicate a different behavior for the two FRET pairs, which can be attributed to their different conformations in the gas phase. Upon desolvation via electrospray ionization, one of the FRET pairs undergoes a conformational change that leads to disappearance of FRET. This study shows the promise of FRET to obtain a direct correlation between solution and gas-phase structures.

  17. Recent Results on Fast Flow Gas-Phase Partial Oxidation of Lower Alkanes

    Institute of Scientific and Technical Information of China (English)

    Vladimir S. Arutyunov

    2004-01-01

    Recent experimental results and kinetic modeling of fast flow gas-phase oxidation of methane and other lower alkanes to methanol and other oxygenates are discussed, alongside with prospects and possible areas for applications of the processes.

  18. Gas-liquid phase transition in modified pseudopotential and “shelf Coulomb” ultracold plasma models

    Science.gov (United States)

    Butlitsky, M. A.; Zelener, B. B.; Zelener, B. V.

    2016-11-01

    Phase diagrams for the “shelf Coulomb” and the modified pseudopotential plasma models developed in our previous works are compared. Qualitative agreement is observed between gas-liquid phase transition region of “shelf Coulomb” model and liquid-gas structure region of modified pseudopotential one. The possibility of experimental finding of the phase transition in nonequilibrium ultracold Rydberg plasma is considered. Parameters (density, temperature, levels of Rydberg atoms) for such a transition are estimated. Conclusion is made that “shelf Coulomb” model phase transition is practically impossible to observe in equilibrium strongly coupled plasmas due to high neutral atoms density at low temperatures: T crit ≈ 0.076.

  19. Processes forming Gas, Tar, and Coke in Cellulose Gasification from Gas-Phase Reactions of Levoglucosan as Intermediate.

    Science.gov (United States)

    Fukutome, Asuka; Kawamoto, Haruo; Saka, Shiro

    2015-07-01

    The gas-phase pyrolysis of levoglucosan (LG), the major intermediate species during cellulose gasification, was studied experimentally over the temperature range of 400-900 °C. Gaseous LG did not produce any dehydration products, which include coke, furans, and aromatic substances, although these are characteristic products of the pyrolysis of molten LG. Alternatively, at >500 °C, gaseous LG produced only fragmentation products, such as noncondensable gases and condensable C1 -C3 fragments, as intermediates during noncondensable gas formation. Therefore, it was determined that secondary reactions of gaseous LG can result in the clean (tar- and coke-free) gasification of cellulose. Cooling of the remaining LG in the gas phase caused coke formation by the transition of the LG to the molten state. The molecular mechanisms that govern the gas- and molten-phase reactions of LG are discussed in terms of the acid catalyst effect of intermolecular hydrogen bonding to promote the molten-phase dehydration reactions.

  20. Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Shenyang [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Burkes, Douglas E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lavender, Curt A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Senor, David J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Setyawan, Wahyu [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Xu, Zhijie [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2016-07-08

    Nano-gas bubble superlattices are often observed in irradiated UMo nuclear fuels. However, the for- mation mechanism of gas bubble superlattices is not well understood. A number of physical processes may affect the gas bubble nucleation and growth; hence, the morphology of gas bubble microstructures including size and spatial distributions. In this work, a phase-field model integrating a first-passage Monte Carlo method to investigate the formation mechanism of gas bubble superlattices was devel- oped. Six physical processes are taken into account in the model: 1) heterogeneous generation of gas atoms, vacancies, and interstitials informed from atomistic simulations; 2) one-dimensional (1-D) migration of interstitials; 3) irradiation-induced dissolution of gas atoms; 4) recombination between vacancies and interstitials; 5) elastic interaction; and 6) heterogeneous nucleation of gas bubbles. We found that the elastic interaction doesn’t cause the gas bubble alignment, and fast 1-D migration of interstitials along $\\langle$110$\\rangle$ directions in the body-centered cubic U matrix causes the gas bubble alignment along $\\langle$110$\\rangle$ directions. It implies that 1-D interstitial migration along [110] direction should be the primary mechanism of a fcc gas bubble superlattice which is observed in bcc UMo alloys. Simulations also show that fission rates, saturated gas concentration, and elastic interaction all affect the morphology of gas bubble microstructures.

  1. Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation

    Science.gov (United States)

    Hu, Shenyang; Burkes, Douglas E.; Lavender, Curt A.; Senor, David J.; Setyawan, Wahyu; Xu, Zhijie

    2016-10-01

    Nano-gas bubble superlattices are often observed in irradiated UMo nuclear fuels. However, the formation mechanism of gas bubble superlattices is not well understood. A number of physical processes may affect the gas bubble nucleation and growth; hence, the morphology of gas bubble microstructures including size and spatial distributions. In this work, a phase-field model integrating a first-passage Monte Carlo method to investigate the formation mechanism of gas bubble superlattices was developed. Six physical processes are taken into account in the model: 1) heterogeneous generation of gas atoms, vacancies, and interstitials informed from atomistic simulations; 2) one-dimensional (1-D) migration of interstitials; 3) irradiation-induced dissolution of gas atoms; 4) recombination between vacancies and interstitials; 5) elastic interaction; and 6) heterogeneous nucleation of gas bubbles. We found that the elastic interaction doesn't cause the gas bubble alignment, and fast 1-D migration of interstitials along directions in the body-centered cubic U matrix causes the gas bubble alignment along directions. It implies that 1-D interstitial migration along [110] direction should be the primary mechanism of a fcc gas bubble superlattice which is observed in bcc UMo alloys. Simulations also show that fission rates, saturated gas concentration, and elastic interaction all affect the morphology of gas bubble microstructures.

  2. Non-conventional gas phase remediation of volatile halogenated compounds by dehydrated bacteria

    OpenAIRE

    Erable, Benjamin; Goubet, Isabelle; Seltana, Amira; Maugard, Thierry

    2009-01-01

    Traditional biological removal processes are limited by the low solubility of halogenated compounds in aqueous media. A new technology appears very suitable for the remediation of these volatile organic compounds (VOCs). Solid/gas bio-catalysis applied in VOC remediation can transform halogenated compounds directly in the gas phase using dehydrated cells as a bio-catalyst. The hydrolysis of volatile halogenated substrates into the corresponding alcohol was studied in a solid/gas bio...

  3. Atmospheric Gas-Phase Reactions of Fluorinated Compounds and Alkenes

    DEFF Research Database (Denmark)

    Østerstrøm, Freja From

    for Atmospheric Research, Denmark. All setups consist of a chamber and uses UV light to initiate the experiments and Fourier transform infrared spectroscopy for the analysis of the data. The atmospheric chemistry of new chlorofluorocarbon replacements is discussed. Experimental studies have been performed on: (CF......3)2CHOCH3, (CF3)2CHOCHO, CF3C(0)OCH3, Z- and E-CF 3CH=CHCF3. These studies include determining the kinetics of the reactions of the compounds with atmospheric oxidants, the products of the reactions, and assessing the atmospheric impact of the compounds by estimating their atmospheric lifetime...... and global warming potential. A mechanistic study of the hydrofluorocarbon CH2F2 has been performed in the absence and presence of hydrocarbons, investigating the possibility of formation of fluorinated alcohols. The reaction mechanism was studied in detail, examining competition between peroxy and alkoxy...

  4. Ultrafast electronic relaxation of excited state vitamin B{sub 12} in the gas phase

    Energy Technology Data Exchange (ETDEWEB)

    Shafizadeh, Niloufar [Laboratoire de Photophysique Moleculaire, U.P.R. 3361 CNRS Bat 210, Universite de Paris-Sud, 91405 Orsay, Cedex (France)], E-mail: Niloufar.Shafizadeh@u-psud.fr; Poisson, Lionel; Soep, Benoit [Laboratoire Francis Perrin, CEA/DSM/DRECAM/SPAM - CNRS URA 2453, CEA Saclay, 91191 Gif-sur-Yvette Cedex (France)

    2008-06-23

    The time evolution of electronically excited vitamin B{sub 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.

  5. Ultrafast electronic relaxation of excited state vitamin B 12 in the gas phase

    Science.gov (United States)

    Shafizadeh, Niloufar; Poisson, Lionel; Soep, Benoıˆt

    2008-06-01

    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.

  6. Theoretical Studies of Gas Phase Elementary and Carbon Nanostructure Growth Reactions

    Science.gov (United States)

    2013-09-19

    DOI: 10.1021/ct1000268. 26. A. J. Midey, T. M. Miller, A. A. Viggiano, N. C. Bera, S. Maeda, and K. Morokuma, Chemistry of VX Surrogates and Ion...THEORETICAL STUDIES OF GAS PHASE ELEMENTARY AND CARBON NANOSTRUCTURE GROWTH REACTIONS KEIJI MOROKUMA EMORY UNIVERSITY 09/19/2013 Final Report...Z39.18 30-09-2013 Final Performance Report 1 July 2010 - 30 June 2013 Theoretical Studies of Gas Phase Elementary and Carbon Nanostructure Growth

  7. Gas Phase Polymerization of Ethylene with Supported Titanium-Nickel Catalysts

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    A new ditransition-metal catalyst system TiCl4-NiCl2/MgCl2-SiO2/AlR3 was prepared.Gas phase polymerization of ethylene with the catalysts has been studied.The kinetic curves of gas phase polymerization showed a decline.The catalystic efficiency and polymerization reaction rates have a optimum value when Ni content of the catalysts was 12.5%(mol).The products obtained are branched polyethylene.

  8. Scaling analysis of gas-liquid two-phase flow pattern in microgravity

    Science.gov (United States)

    Lee, Jinho

    1993-01-01

    A scaling analysis of gas-liquid two-phase flow pattern in microgravity, based on the dominant physical mechanism, was carried out with the goal of predicting the gas-liquid two-phase flow regime in a pipe under conditions of microgravity. The results demonstrated the effect of inlet geometry on the flow regime transition. A comparison of the predictions with existing experimental data showed good agreement.

  9. An atmospheric pressure flow reactor: Gas phase kinetics and mechanism in tropospheric conditions without wall effects

    Science.gov (United States)

    Koontz, Steven L.; Davis, Dennis D.; Hansen, Merrill

    1988-01-01

    A new type of gas phase flow reactor, designed to permit the study of gas phase reactions near 1 atm of pressure, is described. A general solution to the flow/diffusion/reaction equations describing reactor performance under pseudo-first-order kinetic conditions is presented along with a discussion of critical reactor parameters and reactor limitations. The results of numerical simulations of the reactions of ozone with monomethylhydrazine and hydrazine are discussed, and performance data from a prototype flow reactor are presented.

  10. Gas-Phase Molecular Dynamics: High Resolution Spectroscopy and Collision Dynamics of Transient Species

    Energy Technology Data Exchange (ETDEWEB)

    Hall,G.E.; Sears, T.J.

    2009-04-03

    This research is carried out as part of the Gas-Phase Molecular Dynamics program in the Chemistry Department at Brookhaven National Laboratory. High-resolution spectroscopy, augmented by theoretical and computational methods, is used to investigate the structure and collision dynamics of chemical intermediates in the elementary gas-phase reactions involved in combustion chemistry. Applications and methods development are equally important experimental components of this work.

  11. Gas-Phase Molecular Dynamics: High Resolution Spectroscopy and Collision Dynamics of Transient Species

    Energy Technology Data Exchange (ETDEWEB)

    Hall, G.E.

    2011-05-31

    This research is carried out as part of the Gas-Phase Molecular Dynamics program in the Chemistry Department at Brookhaven National Laboratory. Chemical intermediates in the elementary gas-phase reactions involved in combustion chemistry are investigated by high resolution spectroscopic tools. Production, reaction, and energy transfer processes are investigated by transient, double resonance, polarization and saturation spectroscopies, with an emphasis on technique development and connection with theory, as well as specific molecular properties.

  12. 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 ...

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

    Science.gov (United States)

    Balucani, Nadia; Ceccarelli, Cecilia; Taquet, Vianney

    2015-04-01

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

  14. Gas-Liquid Two-Phase Axial Backmixing Through Structured Packing at Elevated Pressure

    Institute of Scientific and Technical Information of China (English)

    张鹏; 刘春江; 唐忠利; 袁希钢; 余国琮

    2003-01-01

    An experimental study of the extent of axial backmixing in both gas and liquid phases was conducted in a 150 mm ID column packed with Mellapak 250Y corrugated structured packing. The column was operated at pressures ranging from 0.3 MPa to 2.0 MPa with nitrogen and water flowing countercurrently through the packing.The amount of axial backmixing was experimentally evaluated by the pulse response techniques using hydrogen in gas phase and an aqueous solution of NaC1 in liquid phase as inert tracers. The response of the tracer was monitored by means of thermal conductivity in the gas phase and electrical conductance in the liquid phase. The experimentally determined residence time distribution (RTD) curves were interpreted in terms of the diffusion-type model. The results indicated that the axial backmixing in the gas increased notably with gas flowrate and slightly with operating pressure and liquid flowrate. The liquid-phase axial backmixing was an increasing function of both gas and liquid flowrates and insensitive to pressure. Various correlations were developed for reproducing the experimental mixing data. The agreement between experimental and correlated data appeared to be acceptable and within ±20% of difference.

  15. Ceramic stationary gas turbine development. Final report, Phase 1

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1994-09-01

    This report summarizes work performed by Solar Turbines Inc. and its subcontractors during the period September 25, 1992 through April 30, 1993. The objective of the work is to improve the performance of stationary gas turbines in cogeneration through implementation of selected ceramic components.

  16. Gas phase dispersion in a small rotary kiln

    Energy Technology Data Exchange (ETDEWEB)

    Spencer, B.B.

    1981-07-01

    A study was made of nonideal flow of gas in a rotary kiln reactor. A rotating tube 0.165 m in diameter by 2.17 m long, with internal lifting flights, was operated at room temperature. Rotational speeds from 2.0 to 7.0 rpm, air flow rates from 0.351 to 4.178 m/sup 3//h, and solid contents of 0.0, 5.1, and 15.3% of tube volume were studied. Residence time distribution of the gas was measured by means of the pulse injection technique using a helium tracer. A model was developed based on dispersive flow that exchanges with a deadwater region. Two parameters, a dispersion number describing bulk gas flow and an interchange factor describing exchange between the flow region and the gas trapped in the solids bed, were sufficient to correlate the data, but these parameters are sensitive to experimental error. The model is applicable to analysis of other flow systems, such as packed beds.

  17. Experimental and numerical investigation of gas phase freeboard combustion

    DEFF Research Database (Denmark)

    Andersen, Jimmy; Jensen, Peter Arendt; Hvid, S.L.

    2009-01-01

    the conditions in the freeboard of it grate-fired boiler. Here, in part 2, the ability of CFD to predict volatile N oxidation to NO and N(2) is evaluated. Trace amounts of ammonia were added to the natural gas, and local measurements of NH(3) and NO in the reactor were compared to modeling predictions. Different...

  18. Experimental and CFD investigation of gas phase freeboard combustion

    DEFF Research Database (Denmark)

    Andersen, Jimmy

    Reliable and accurate modeling capabilities for combustion systems are valuable tools for optimization of the combustion process. This work concerns primary precautions for reducing NO emissions, thereby abating the detrimental effects known as “acid rain”, and minimizing cost for flue gas...

  19. Gas phase abundances and conditions along the sight line to the low-halo, inner galaxy star HD 167756

    Science.gov (United States)

    Cardelli, Jason A.; Sembach, Kenneth R.; Savage, Blair D.

    1995-01-01

    We present high-resolution (3.5 km/s) Goddard High Resolution Spectrograph (GHRS) measurements of the Mg II, Si II, Cr II, Fe II, and Zn II lines toward HD 167756, a low-latitude halo star at a distance of 4 kpc in the direction l = 351.5 deg, b = -12.3 and at a Galactic altitude of z = -0.85 kpc. Supplemental Na I, Ca II, and H I data are also presented for comparison with the UV lines. Our analysis centers on converting the observed absoprtion-line data into measures of the apparent column density per unit velocity. N(sub a)(v), over the velocity range -25 less than or = v(sub lsr) less than 30 km/s for each species observed. We use these N(sub a)(v) profiles to construct logarithmic abundance ratios of Mg II, Si II, Cr II, Fe II, and Ca II relative to Zn II, normalized to solar abundances, as a function of velocity. Compared to Zn, these species show an underabundance relative to their solar values, with the largest underabundances occurring in the v(sub lsr) approximately equals 5 km/s component(s), for which we find logarithmic abundances A(sub Si/Zn) greater than -0.38, A(Mg/Zn) = -0.82, A(sub Cr/Zn) = -1.18, and A(sub Fe/Zn) greater than 1.40 dex. We show that ionization effects, abundance gradients, or intrinsic abundance variability cannot be significant sources for the underabundances observed. The most likely explanation is gas phase depletion of elements onto dust grains. Comparisons with the gas phase abundances along other diffuse, warm gas sight lines, like the halo sight line to HD 93521, support this interpretation as do the derived physical properties of the sight line.

  20. Non-congruence of liquid-gas phase transition of asymmetric nuclear matter

    CERN Document Server

    Maruyama, Toshiki

    2012-01-01

    We first explore the liquid-gas mixed phase in a bulk calculation, where two phases coexist without the geometrical structures. In the case of symmetric nuclear matter, the system behaves congruently, and the Maxwell construction becomes relevant. For asymmetric nuclear matter, on the other hand, the phase equilibrium is no more attained by the Maxwell construction since the liquid and gas phases are non-congruent; the particle fractions become completely different with each other. One of the origins of such non-congruence is attributed to the large symmetry energy. Subsequently we explore the charge-neutral nuclear matter with electrons by fully applying the Gibbs conditions to figure out the geometrical (pasta) structures in the liquid-gas mixed phase. We emphasize the effects of the surface tension and the Coulomb interaction on the pasta structures. We also discuss the thermal effects on the pasta structures.

  1. EFFECT OF SURFACTANT ON TWO-PHASE FLOW PATTERNS OF WATER-GAS IN CAPILLARY TUBES

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Flow patterns of liquid-gas two-phase flow were experimentally investigated. The experiments were carried out in both vertical and horizontal capillary tubes having inner diameters of 1.60 mm. The working liquid was the mixture of water and Sodium Dodecyl Benzoyl Sulfate (SDBS). The working gas was Nitrogen. For the water/SDBS mixture-gas flow in the vertical capillary tube, flow-pattern transitions occurred at lower flow velocities than those for the water-gas flow in the same tube. For the water/SDBS mixture-gas flow in the horizontal capillary tube, surface tension had little effect on the bubbly-intermittent transition and had only slight effect on the plug-slug and slug-annular transitions. However, surface tension had significant effect on the wavy stratified flow regime. The wavy stratified flow regime of water/SDBS mixture-gas flow expanded compared with that of water-gas.

  2. Using IBEX data to constrain the heliosphere's large-scale structure: interstellar neutral gas and the Warm Breeze

    Science.gov (United States)

    Bzowski, Maciej; McComas, David; Galli, Andre; Kucharek, Harald; Wurz, Peter; Sokol, Justyna M.; Schwadron, Nathan; Heirtzler, David M.; Kubiak, M. Marzena A.; Möbius, Eberhard; Fuselier, Stephen; Swaczyna, Paweł; Leonard, Trevor; Park, Jeewoo

    2016-07-01

    The large-scale structure of the heliosphere is governed by the interaction of the partly ionized, magnetized interstellar gas and the magnetized, fully ionized solar wind, structured in heliolatitude. Determining factors of this interaction are the density and flow velocity of interstellar gas relative to the Sun, the Mach number of this flow and the strength and inclination of the interstellar magnetic field to the flow vector at the interstellar side, and the magnitude of dynamic pressure of solar wind and the strength of its embedded magnetic field at the solar side. As a result of charge exchange interactions operating in the boundary region between the heliosphere and interstellar matter, a new population of neutral atoms is created, in addition to the population of unperturbed interstellar neutral gas. Both of these populations penetrate deep inside the heliosphere, where they can be sampled by the first space probe dedicated to observations of the heliosphere and its immediate surroundings by means of neutral atoms: the Interstellar Boundary Explorer (IBEX). Due to distortion of the heliosphere from axial symmetry, the secondary population of interstellar neutrals, created via charge exchange between the plasma flowing past the heliopause and the unperturbed pristine neutral interstellar gas, appears to be coming from a different direction than the unperturbed interstellar neutral flow. These two directions should be coplanar with the plane defined by the local interstellar magnetic field and the flow direction of the unperturbed gas. IBEX provides an unprecedented opportunity to study and interpret these relations. The IBEX science team have recently accomplished important milestones in researching the primary and secondary populations of interstellar gas and their relation to the local interstellar magnetic fields. First, the temperature and velocity vector of the inflowing interstellar neutral gas has been determined with unprecedented robustness based

  3. Ionic liquids as stationary phases in gas chromatography--an LSER investigation of six commercial phases and some applications.

    Science.gov (United States)

    Weber, Waldemar; Andersson, Jan T

    2014-09-01

    The separation properties of six novel stationary phases for gas chromatography, commercially available from Sigma-Aldrich (Supelco) and based on ionic liquids (ILs), were investigated. The linear solvation energy relationship model (LSER) was used to describe the molecular interactions between these stationary phases and 30 solutes. The solutes belong to different groups of compounds, like haloalkanes, alcohols, ketones, aromatics, aliphatics, and others. A good description of different interactions, as described by the LSER model, could be achieved. The calculated values of system constants for the ionic liquid phases were compared with constants of commonly used standard phases like a 5 % phenyl/95 % dimethyl siloxane and a polyethylene glycol phase. The solute descriptors are in good agreement with those found by previous authors who have used the LSER model for 44 different ionic liquids as stationary phase. The experiments were carried out at two temperatures to evaluate the influence on the phase parameters and separation characteristics. The interactions of different functional groups with the IL phases are discussed. These novel IL phases are a promising replacement of or an addition to common polar phases. Based on the evaluated phase properties, several possibilities for applications of these novel phases are shown.

  4. A Proposed Mechanism of Photocatalytic Oxidation of Trichloroethylene in Gas Phase

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    GC/MS has been used to identify gas phase products and intermediates formed during the gas phase photocatalytic oxidation of trichloroethylene (TCE) on TiO2 with low BET surface area.A new byproduct, oxalyl choloride (ClCOCOCl) was detected together with other byproducts such as COCl2, CHCl3, DCAC and C2HCl5.Firstly the method of perturbation on the reaction system was conducted.Very little amount of water was carried into the feed gas and subsequent changes were observed.The discussion based on the product distribution changes led to a postulated mechanism consisting of two stages.

  5. Origin of warm and hot gas emission from low-mass protostars: Herschel-HIFI observations of CO J = 16-15

    DEFF Research Database (Denmark)

    Kristensen, Lars Egstrøm; Van Dishoeck, E. F.; Mottram, J. C.

    2017-01-01

    not understood. Aims. We aim to shed light on the excitation and origin of the CO ladder observed toward protostars, and on the water abundance in different physical components within protostellar systems using spectrally resolved Herschel-HIFI data. Methods. Observations are presented of the highly excited CO...... line J = 16-15 (Eup/kB = 750 K) with the Herschel Heterodyne Instrument for the Far Infrared (HIFI) toward a sample of 24 low-mass protostellar objects. The sources were selected from the Herschel "Water in Star-forming regions with Herschel" (WISH) and "Dust, Ice, and Gas in Time" (DIGIT) key programs...... excitation components. The warm PACS component (300 K) is associated with the broad HIFI component, and the hot PACS component (700 K) is associated with the offset HIFI component. The former originates in either outflow cavity shocks or the disk wind, and the latter in irradiated shocks. The low water...

  6. Arctic climate change: Greenhouse warming unleashed

    Science.gov (United States)

    Mauritsen, Thorsten

    2016-04-01

    Human activity alters the atmospheric composition, which leads to global warming. Model simulations suggest that reductions in emission of sulfur dioxide from Europe since the 1970s could have unveiled rapid Arctic greenhouse gas warming.

  7. Experimental and numerical investigation of gas phase freeboard combustion

    DEFF Research Database (Denmark)

    Andersen, J.; Jensen, Peter Arendt; Meyer, K.E.

    2009-01-01

    tested the four-step global mechanism by Jones and Lindstedt (Combust. Flame 1988, 73, 233-249), and the 16 species and 41 reaction skeletal mechanism by Yang and Pope (Combust. Flame 1998, 112 16-32). The CFD model captured the main features of the combustion process and flow patterns. The application...... of more advanced chemical mechanisms did not improve the prediction of the overall combustion process but did provide additional information about species (especially H(2) and radicals), which is desirable for postprocessing pollutant formation.......Experimental data for velocity field, temperatures, and gas composition have been obtained from a 50 kW axisymmetric non-swirling natural gas fired combustion setup under two different settings. The reactor was constructed to simulate the conditions in the freeboard of a grate-fired boiler...

  8. Experimental and CFD investigation of gas phase freeboard combustion

    DEFF Research Database (Denmark)

    Andersen, Jimmy

    treatment. The aim of this project is to provide validation data for Computational Fluid Dynamic (CFD) models relevant for grate firing combustion conditions. CFD modeling is a mathematical tool capable of predicting fluid flow, mixing and chemical reaction with thermal conversion and transport. Prediction......, but under well-defined conditions. Comprehensive experimental data for velocity field, temperatures, and gas composition are obtained from a 50 kW axisymmetric non-swirling natural gas fired combustion setup under two different settings. Ammonia is added to the combustion setup in order to simulate fuel...... of pollutant formation, which occurs in small concentrations with little impact on the general combustion process is in this work predicted by a post-processing step, making it less computationally expensive. A reactor was constructed to simulate the conditions in the freeboard of a grate fired boiler...

  9. Modeling impacts of alternative practices on net global warming potential and greenhouse gas intensity from rice-wheat annual rotation in China.

    Directory of Open Access Journals (Sweden)

    Jinyang Wang

    Full Text Available BACKGROUND: Evaluating the net exchange of greenhouse gas (GHG emissions in conjunction with soil carbon sequestration may give a comprehensive insight on the role of agricultural production in global warming. MATERIALS AND METHODS: Measured data of methane (CH(4 and nitrous oxide (N(2O were utilized to test the applicability of the Denitrification and Decomposition (DNDC model to a winter wheat - single rice rotation system in southern China. Six alternative scenarios were simulated against the baseline scenario to evaluate their long-term (45-year impacts on net global warming potential (GWP and greenhouse gas intensity (GHGI. PRINCIPAL RESULTS: The simulated cumulative CH(4 emissions fell within the statistical deviation ranges of the field data, with the exception of N(2O emissions during rice-growing season and both gases from the control treatment. Sensitivity tests showed that both CH(4 and N(2O emissions were significantly affected by changes in both environmental factors and management practices. Compared with the baseline scenario, the long-term simulation had the following results: (1 high straw return and manure amendment scenarios greatly increased CH(4 emissions, while other scenarios had similar CH(4 emissions, (2 high inorganic N fertilizer increased N(2O emissions while manure amendment and reduced inorganic N fertilizer scenarios decreased N(2O emissions, (3 the mean annual soil organic carbon sequestration rates (SOCSR under manure amendment, high straw return, and no-tillage scenarios averaged 0.20 t C ha(-1 yr(-1, being greater than other scenarios, and (4 the reduced inorganic N fertilizer scenario produced the least N loss from the system, while all the scenarios produced comparable grain yields. CONCLUSIONS: In terms of net GWP and GHGI for the comprehensive assessment of climate change and crop production, reduced inorganic N fertilizer scenario followed by no-tillage scenario would be advocated for this specified

  10. Nonequilibrium Features of the Nuclear Liquid-Gas Phase Transition

    Science.gov (United States)

    Zwieglinski, B.; Odeh, T.; Gross, C.; Schwarz, C.; Bassini, R.; Begemann-Blaich, M.; Blaich, T.; Emling, H.; Ferrero, A.; Fritz, S.; Gaff, S. J.; Imme, G.; Iori, I.; Kleinevoss, U.; Kunde, G. J.; Kunze, W. D.; Lindenstruth, V.; Lynen, U.; Mahi, M.; Moroni, A.; Moehlenkamp, T.; Mueller, W. F. J.; Ocker, B.; Pochodzalla, J.; Raciti, G.; Rubehn, Th.; Sann, H.; Schnittker, M.; Schuettauf, A.; Seidel, W.; Serfling, V.; Stroth, J.; Trautmann, W.; Trzcinski, A.; Verde, G.; Woerner, A.; Xi, H.; Zude, E.

    1999-03-01

    Energy spectra of protons emitted by the target residue in Au + Au collisions at 1 GeV/u were measured for different excitation energy bins. They reveal two components with different slopes attributed to preequilibrium and equilibrium emission. The relative contribution of the latter decreases rapidly with excitation energy, so that its presence becomes not apparent for the highest energy bins. It is argued therefore, that equilibrium may not be reached on the gas branch of the caloric curve.

  11. The self regulating star formation of gas rich dwarf galaxies in quiescent phase

    CERN Document Server

    Kobayashi, M A R; Kobayashi, Masakazu A.R.; Kamaya, Hideyuki

    2004-01-01

    The expected episodic or intermittent star formation histories (SFHs) of gas rich dwarf irregular galaxies (dIrrs) are the longstanding puzzles to understand their whole evolutional history. Solving this puzzle, we should grasp what physical mechanism causes the quiescent phase of star formation under the very gas rich condition after the first starburst phase. We consider that this quiescent phase is kept by lack of H2, which can be important coolant to generate the next generation of stars in the low-metal environment like dIrrs. Furthermore, in dIrrs, H2 formation through gas-phase reactions may dominate the one on dust-grain surfaces because their interstellar medium (ISM) are very plentiful and the typical dust-to-gas ratio of dIrrs (D_dIrrs = 1.31 x 10^-2 D_MW, where D_MW is its value for the local ISM) is on the same order with a critical value D_cr ~ 10^-2 D_MW. We show that the lack of H2 is mainly led by H- destruction when gas-phase H2 formation dominates since H- is important intermediary of gas-p...

  12. Influence of gas phase equilibria on the chemical vapor deposition of graphene.

    Science.gov (United States)

    Lewis, Amanda M; Derby, Brian; Kinloch, Ian A

    2013-04-23

    We have investigated the influence of gas phase chemistry on the chemical vapor deposition of graphene in a hot wall reactor. A new extended parameter space for graphene growth was defined through literature review and experimentation at low pressures (≥0.001 mbar). The deposited films were characterized by scanning electron microscopy, Raman spectroscopy, and dark field optical microscopy, with the latter showing promise as a rapid and nondestructive characterization technique for graphene films. The equilibrium gas compositions have been calculated across this parameter space. Correlations between the graphene films grown and prevalent species in the equilibrium gas phase revealed that deposition conditions associated with a high acetylene equilibrium concentration lead to good quality graphene deposition, and conditions that stabilize large hydrocarbon molecules in the gas phase result in films with multiple defects. The transition between lobed and hexagonal graphene islands was found to be linked to the concentration of the monatomic hydrogen radical, with low concentrations associated with hexagonal islands.

  13. Industrial fuel gas demonstration plant program. Current working estimate. Phase III and III

    Energy Technology Data Exchange (ETDEWEB)

    1979-12-01

    The United States Department of Energy (DOE) executed a contract with Memphis Light, Gas and Water Division (MLGW) which requires MLGW to perform process analysis, design, procurement, construction, testing, operation, and evaluation of a plant which will demonstrate the feasibility of converting high sulfur bituminous coal to industrial fuel gas with a heating value of 300 +- 30 Btu per standard cubic foot (SCF). The demonstration plant is based on the U-Gas process, and its product gas is to be used in commercial applications in Memphis, Tenn. The contract specifies that the work is to be conducted in three phases. The Phases are: Phase I - Program Development and Conceptual Design; Phase II - Demonstration Plant Final Design, Procurement and Construction; and Phase III - Demonstration Plant Operation. Under Task III of Phase I, a Cost Estimate for the Demonstration Plant was completed as well as estimates for other Phase II and III work. The output of this Estimate is presented in this volume. This Current Working Estimate for Phases II and III is based on the Process and Mechanical Designs presented in the Task II report (second issue) and the 12 volumes of the Task III report. In addition, the capital cost estimate summarized in the appendix has been used in the Economic Analysis (Task III) Report.

  14. Mass Transfer Enhancement of Gas Absorption by Adding the Dispersed Organic Phases

    Institute of Scientific and Technical Information of China (English)

    张志刚; 许天行; 李文秀; 纪智玲; 许光荣

    2011-01-01

    Mass transfer enhancement of gas absorption by adding a dispersed organic phase has been studied in this work. Various dispersed organic phases (heptanol, octanol, isoamyl alcohol, heptane, octane, and isooctane) were tested respectively in the experiment. According to the theoretical model and experimental data, the overall volumetric mass transfer coefficient and enhancement factor were obtained under different dispersed organic phase volume fraction and stirring speed. The experimental results indicate that gas-liquid mass transfer is enhanced at different level by adding a dispersed organic phase. The best performance of enhancement were achieved with the dispersed organic phase volumetric fraction of 5% and under an intermediate stirring speed of 670 r·min^-1. Among the organic phases tested in the experiment, alcohols show better performance, which gave 20% higher enhance-ment of overall volumetric mass transfer coefficient than adding alkanes.

  15. Liquid-Gas Phase Transition for Asymmetric Nuclear Matter in the Zimanyi-Moszkowski Model

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xu-Ming; QIAN Wei-Liang; SU Ru-Keng

    2004-01-01

    By using the improved Zimanyi-Moszkowski (ZM) model including the freedom of nucleons, σ mesons, ω mesons and ρ mesons, we investigate the liquid-gas phase transition for asymmetric nuclear matter. It is found that the phase transition for asymmetric nuclear matter in the improved ZM model with the isospin vector ρ meson degree of freedom is well defined. The binodal surface, which is essential in the study of the phase transition process, is addressed.

  16. Gas phase condensation of superparamagnetic iron oxide-silica nanoparticles - control of the intraparticle phase distribution

    Science.gov (United States)

    Stötzel, C.; Kurland, H.-D.; Grabow, J.; Müller, F. A.

    2015-04-01

    Spherical, softly agglomerated and superparamagnetic nanoparticles (NPs) consisting of maghemite (γ-Fe2O3) and amorphous silica (SiO2) were prepared by CO2 laser co-vaporization (CoLAVA) of hematite powder (α-Fe2O3) and quartz sand (SiO2). The α-Fe2O3 portion of the homogeneous starting mixtures was gradually increased (15 mass%-95 mass%). It was found that (i) with increasing iron oxide content the NPs' morphology changes from a nanoscale SiO2 matrix with multiple γ-Fe2O3 inclusions to Janus NPs consisting of a γ-Fe2O3 and a SiO2 hemisphere to γ-Fe2O3 NPs each carrying one small SiO2 lens on its surface, (ii) the multiple γ-Fe2O3 inclusions accumulate at the NPs' inner surfaces, and (iii) all composite NPs are covered by a thin layer of amorphous SiO2. These morphological characteristics are attributed to (i) the phase segregation of iron oxide and silica within the condensed Fe2O3-SiO2 droplets, (ii) the temperature gradient within these droplets which arises during rapid cooling in the CoLAVA process, and (iii) the significantly lower surface energy of silica when compared to iron oxide. The proposed growth mechanism of these Fe2O3-SiO2 composite NPs during gas phase condensation can be transferred to other systems comprising a glass-network former and another component that is insoluble in the regarding glass. Thus, our model will facilitate the development of novel functional composite NPs for applications in biomedicine, optics, electronics, or catalysis.Spherical, softly agglomerated and superparamagnetic nanoparticles (NPs) consisting of maghemite (γ-Fe2O3) and amorphous silica (SiO2) were prepared by CO2 laser co-vaporization (CoLAVA) of hematite powder (α-Fe2O3) and quartz sand (SiO2). The α-Fe2O3 portion of the homogeneous starting mixtures was gradually increased (15 mass%-95 mass%). It was found that (i) with increasing iron oxide content the NPs' morphology changes from a nanoscale SiO2 matrix with multiple γ-Fe2O3 inclusions to Janus NPs

  17. 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'.

  18. Comparative study between gas phase and liquid phase for the production of DMC from methanol and CO2

    Institute of Scientific and Technical Information of China (English)

    Ahmed Aouissi; Salem S. Al-Deyab

    2012-01-01

    Direct synthesis of dimethyl carbonate (DMC) from methanol and carbon dioxide over Co1.5PW12O40 in liquid and in gas phase is investigated.The synthesized catalyst has been characterized by means of FTIR and XRD.Liquid phase experiment results showed that high pressures are favorable for the synthesis of DMC.However,DMC formation is limited by the reaction with co-produced water.DMC selectivity is more strongly dependent on the temperature than on the pressure of CO2.As for the reactions in gas phase,it has been found that both CH3OH conversion and DMC selectivity decreased with increasing temperature,owing to the decomposition of DMC at high temperatures.High temperatures and more amount of Co1.5PW12O40 catalyst favor the formation of dimethoxymethane (DMM) and methyl formate (MF).

  19. Gas hold-up in highly viscous pseudoplastic non-Newtonian solutions in three phase sparged reactors

    Energy Technology Data Exchange (ETDEWEB)

    Dharwadkar, S.V.; Sawant, S.B.; Joshi, J.B.

    1987-06-01

    Gas hold-up structure was studied in a three phase sparged reactor of 200 mm diameter. Air and aqueous solutions of carboxymethyl cellulose were used as gas and liquid phases. Spherical glass beads formed the solid phase. The superficial gas velocity, rheological properties, particle size and solid loading were varied over a wide range and their effects on gas hold-up structure were studied. A correlation for the estimation of the gas hold-up as a function of superficial gas velocity, apparent liquid viscosity, particle settling velocity and solid loading was established. 26 refs., 6 figs., 2 tabs.

  20. Analysis of Developing Gas/liquid Two-Phase Flows

    Energy Technology Data Exchange (ETDEWEB)

    Elena A. Tselishcheva; Michael Z. Podowski; Steven P. Antal; Donna Post Guillen; Matthias Beyer; Dirk Lucas

    2010-06-01

    The goal of this work is to develop a mechanistically based CFD model that can be used to simulate process equipment operating in the churn-turbulent regime. The simulations were performed using a state-of-the-art computational multiphase fluid dynamics code, NPHASE–CMFD [Antal et al,2000]. A complete four-field model, including the continuous liquid field and three dispersed gas fields representing bubbles of different sizes, was first carefully tested for numerical convergence and accuracy, and then used to reproduce the experimental results from the TOPFLOW test facility at Forschungszentrum Dresden-Rossendorf e.V. Institute of Safety Research [Prasser et al,2007]. Good progress has been made in simulating the churn-turbulent flows and comparison the NPHASE-CMFD simulations with TOPFLOW experimental data. The main objective of the paper is to demonstrate capability to predict the evolution of adiabatic churn-turbulent gas/liquid flows. The proposed modelling concept uses transport equations for the continuous liquid field and for dispersed bubble fields [Tselishcheva et al, 2009]. Along with closure laws based on interaction between bubbles and continuous liquid, the effect of height on air density has been included in the model. The figure below presents the developing flow results of the study, namely total void fraction at different axial locations along the TOPFLOW facility test section. The complete model description, as well as results of simulations and validation will be presented in the full paper.

  1. Simulation of the gas-side heat input for the pre-calculation of the thermal behaviour and consumption in the warm-up of engines; Simulation des gasseitigen Waermeeintrags zur Vorausberechnung des thermischen Verhaltens und des Verbrauchs im Motorwarmlauf

    Energy Technology Data Exchange (ETDEWEB)

    Salbrechter, Sebastian; Wimmer, Andreas; Pirker, Gerhard [Technische Univ. Graz (Austria). Forschungsbereich LEC; Noest, Michael [Forschungsgesellschaft mbH, Graz (AT). Kompetenzzentrum ' ' Das virtuelle Fahrzeug' ' (VIF)

    2011-07-01

    In addition to the friction heat, the heat input resulting from the combustion process is the main determining factor for the warm-up behaviour of a combustion engine. In order to predict the fuel consumption during warm-up, an accurate reproduction of the gas-sided heat transfer inside the combustion chamber and in the exhaust port is of utmost importance in the simulation of the thermal behaviour of combustion engines. Since the relevant driving cycles cover a large area of the engine-map range and the application changes play a large role during warm-up, the formulation of the gas-sided heat transfer is very demanding. In this article, the procedure for deriving a heat-input model will be shown using the example of a gasoline engine with direct injection and variable valve train. (orig.)

  2. 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

  3. The effects of rape residue mulching on net global warming potential and greenhouse gas intensity from no-tillage paddy fields.

    Science.gov (United States)

    Zhang, Zhi-Sheng; Cao, Cou-Gui; Guo, Li-Jin; Li, Cheng-Fang

    2014-01-01

    A field experiment was conducted to provide a complete greenhouse gas (GHG) accounting for global warming potential (GWP), net GWP, and greenhouse gas intensity (GHGI) from no-tillage (NT) paddy fields with different amounts of oilseed rape residue mulch (0, 3000, 4000, and 6000 kg dry matter (DM) ha(-1)) during a rice-growing season after 3 years of oilseed rape-rice cultivation. Residue mulching treatments showed significantly more organic carbon (C) density for the 0-20 cm soil layer at harvesting than no residue treatment. During a rice-growing season, residue mulching treatments sequestered significantly more organic C from 687 kg C ha(-1) season(-1) to 1654 kg C ha(-1) season(-1) than no residue treatment. Residue mulching significantly increased emissions of CO2 and N2O but decreased CH4 emissions. Residue mulching treatments significantly increased GWP by 9-30% but significantly decreased net GWP by 33-71% and GHGI by 35-72% relative to no residue treatment. These results suggest that agricultural economic viability and GHG mitigation can be achieved simultaneously by residue mulching on NT paddy fields in central China.

  4. 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.

  5. Gas chromatography on wall-coated open-tubular columns with ionic liquid stationary phases.

    Science.gov (United States)

    Poole, Colin F; Lenca, Nicole

    2014-08-29

    Ionic liquids have moved from novel to practical stationary phases for gas chromatography with an increasing portfolio of applications. Ionic liquids complement conventional stationary phases because of a combination of thermophysical and solvation properties that only exist for ionic solvents. Their high thermal stability and low vapor pressure makes them suitable as polar stationary phases for separations requiring high temperatures. Ionic liquids are good solvents and can be used to expand the chemical space for separations. They are the only stationary phases with significant hydrogen-bond acidity in common use; they extend the hydrogen-bond basicity of conventional stationary phases; they are as dipolar/polarizable as the most polar conventional stationary phases; and some ionic liquids are significantly less cohesive than conventional polar stationary phases. Problems in column coating techniques and related low column performance, column activity, and stationary phase reactivity require further exploration as the reasons for these features are poorly understood at present.

  6. Gas-phase chemistry of element 114, flerovium

    Directory of Open Access Journals (Sweden)

    Yakushev Alexander

    2016-01-01

    Full Text Available Element 114 was discovered in 2000 by the Dubna-Livermore collaboration, and in 2012 it was named flerovium. It belongs to the group 14 of the periodic table of elements. A strong relativistic stabilisation of the valence shell 7s27p21/2 is expected due to the orbital splitting and the contraction not only of the 7s2 but also of the spherical 7p21/2 closed subshell, resulting in the enhanced volatility and inertness. Flerovium was studied chemically by gas-solid chromatography upon its adsorption on a gold surface. Two experimental results on Fl chemistry have been published so far. Based on observation of three atoms, a weak interaction of flerovium with gold was suggested in the first study. Authors of the second study concluded on the metallic character after the observation of two Fl atoms deposited on gold at room temperature.

  7. Gas-phase chemistry of element 114, flerovium

    Science.gov (United States)

    Yakushev, Alexander; Eichler, Robert

    2016-12-01

    Element 114 was discovered in 2000 by the Dubna-Livermore collaboration, and in 2012 it was named flerovium. It belongs to the group 14 of the periodic table of elements. A strong relativistic stabilisation of the valence shell 7s27p is expected due to the orbital splitting and the contraction not only of the 7s2 but also of the spherical 7p closed subshell, resulting in the enhanced volatility and inertness. Flerovium was studied chemically by gas-solid chromatography upon its adsorption on a gold surface. Two experimental results on Fl chemistry have been published so far. Based on observation of three atoms, a weak interaction of flerovium with gold was suggested in the first study. Authors of the second study concluded on the metallic character after the observation of two Fl atoms deposited on gold at room temperature.

  8. Air-sea transfer of gas phase controlled compounds

    Science.gov (United States)

    Yang, M.; Bell, T. G.; Blomquist, B. W.; Fairall, C. W.; Brooks, I. M.; Nightingale, P. D.

    2016-05-01

    Gases in the atmosphere/ocean have solubility that spans several orders of magnitude. Resistance in the molecular sublayer on the waterside limits the air-sea exchange of sparingly soluble gases such as SF6 and CO2. In contrast, both aerodynamic and molecular diffusive resistances on the airside limit the exchange of highly soluble gases (as well as heat). Here we present direct measurements of air-sea methanol and acetone transfer from two open cruises: the Atlantic Meridional Transect in 2012 and the High Wind Gas Exchange Study in 2013. The transfer of the highly soluble methanol is essentially completely airside controlled, while the less soluble acetone is subject to both airside and waterside resistances. Both compounds were measured concurrently using a proton-transfer-reaction mass spectrometer, with their fluxes quantified by the eddy covariance method. Up to a wind speed of 15 m s-1, observed air-sea transfer velocities of these two gases are largely consistent with the expected near linear wind speed dependence. Measured acetone transfer velocity is ∼30% lower than that of methanol, which is primarily due to the lower solubility of acetone. From this difference we estimate the “zero bubble” waterside transfer velocity, which agrees fairly well with interfacial gas transfer velocities predicted by the COARE model. At wind speeds above 15 m s-1, the transfer velocities of both compounds are lower than expected in the mean. Air-sea transfer of sensible heat (also airside controlled) also appears to be reduced at wind speeds over 20 m s-1. During these conditions, large waves and abundant whitecaps generate large amounts of sea spray, which is predicted to alter heat transfer and could also affect the air-sea exchange of soluble trace gases. We make an order of magnitude estimate for the impacts of sea spray on air-sea methanol transfer.

  9. Liquid-gas phase transition in strange hadronic matter with relativistic models

    CERN Document Server

    Torres, James R; Menezes, Débora P

    2015-01-01

    Background: The advent of new dedicated experimental programs on hyperon physics is rapidly boosting the field, and the possibility of synthetizing multiple strange hypernuclei requires the addition of the strangeness degree of freedom to the models dedicated to nuclear structure and nuclear matter studies at low energy. Purpose: We want to settle the influence of strangeness on the nuclear liquid-gas phase transition. Because of the large uncertainties concerning the hyperon sector, we do not aim at a quantitative estimation of the phase diagram but rather at a qualitative description of the phenomenology, as model independent as possible. Method: We analyze the phase diagram of low density matter composed of neutrons, protons and $\\Lambda$ hyperons using a Relativistic Mean Field (RMF) model. We largely explore the parameter space to pin down generic features of the phase transition, and compare the results to ab-initio quantum Monte Carlo calculations. Results: We show that the liquid-gas phase transition ...

  10. Comparison greenhouse gas (GHG) emissions and global warming potential (GWP) effect of energy use in different wheat agroecosystems in Iran.

    Science.gov (United States)

    Yousefi, Mohammad; Mahdavi Damghani, Abdolmajid; Khoramivafa, Mahmud

    2016-04-01

    The aims of this study were to determine energy requirement and global warming potential (GWP) in low and high input wheat production systems in western of Iran. For this purpose, data were collected from 120 wheat farms applying questionnaires via face-to-face interviews. Results showed that total energy input and output were 60,000 and 180,000 MJ ha(-1) in high input systems and 14,000 and 56,000 MJ ha(-1) in low input wheat production systems, respectively. The highest share of total input energy in high input systems recorded for electricity power, N fertilizer, and diesel fuel with 36, 18, and 13 %, respectively, while the highest share of input energy in low input systems observed for N fertilizer, diesel fuel, and seed with 32, 31, and 27 %. Energy use efficiency in high input systems (3.03) was lower than of low input systems (3.94). Total CO2, N2O, and CH4 emissions in high input systems were 1981.25, 31.18, and 1.87 kg ha(-1), respectively. These amounts were 699.88, 0.02, and 0.96 kg ha(-1) in low input systems. In high input wheat production systems, total GWP was 11686.63 kg CO2eq ha(-1) wheat. This amount was 725.89 kg CO2eq ha(-1) in low input systems. The results show that 1 ha of high input system will produce greenhouse effect 17 times of low input systems. So, high input production systems need to have an efficient and sustainable management for reducing environmental crises such as change climate.

  11. Improving gas separation properties of polymeric membranes based on glassy polymers by gas phase fluorination

    NARCIS (Netherlands)

    Syrtsova, D.A.; Kharitonov, A.P.; Teplyakov, V.V.; Koops, G.-H.

    2004-01-01

    The application area of existing gas separation membranes is limited by commercially available polymers for their preparation. In many cases the separation selectivity of these polymers is not sufficient for effective separation processes. One of the ways to improve the separation effectivity of exi

  12. Selective removal of ethylene, a deposit precursor, from a "dirty" synthesis gas stream via gas-phase partial oxidation.

    Science.gov (United States)

    Villano, Stephanie M; Hoffmann, Jessica; Carstensen, Hans-Heinrich; Dean, Anthony M

    2010-06-17

    A fundamental issue in the gasification of biomass is that in addition to the desired synthesis gas product (a mixture of H(2) and CO), the gasifier effluent contains other undesirable products that need to be removed before any further downstream processing can occur. This work assesses the potential to selectively remove hydrocarbons from a synthesis gas stream via gas-phase partial oxidation. Specifically, the partial oxidation of methane-doped, ethylene-doped, and methane/ethylene-doped model synthesis gas mixtures has been investigated at ambient pressures over a temperature range of 760-910 degrees C and at residence times ranging from 0.4 to 2.4 s using a tubular flow reactor. For the synthesis gas mixtures that contain either methane or ethylene, the addition of oxygen substantially reduces the hydrocarbon concentration while only a small reduction in the hydrogen concentration is observed. For the synthesis gas mixtures doped with both methane and ethylene, the addition of oxygen preferentially removes ethylene while the concentrations of methane and hydrogen remain relatively unaffected. These results are compared to the predictions of a plug flow model using a reaction mechanism that is designed to describe the pyrolysis and partial oxidation of small hydrocarbon species. The agreement between the experimental observations and the model predictions is quite good, allowing us to explore the underlying chemistry that leads to the hydrocarbon selective oxidation. The implications of these results are briefly discussed in terms of using synthesis gas to produce liquid fuels and electrical power via a solid oxide fuel cell.

  13. Gas-driven subharmonic waves in a vibrated two-phase granular material.

    Science.gov (United States)

    Matas, J-P; Uehara, J; Behringer, R P

    2008-04-01

    Vibrated powders exhibit striking phenomena: subharmonic waves, oscillons, convection, heaping, and even bubbling. We demonstrate novel rectangular profile subharmonic waves for vibrated granular material, that occur uniquely in the two-phase case of grains, and a fluid, such as air. These waves differ substantially from those for the gas-free case, exhibit different dispersion relations, and occur for specific shaking parameters and air pressure, understandable with gas-particle flow models. These waves occur when the gas diffusively penetrates the granular layer in a time comparable to the shaker period. As the pressure is lowered towards P =0, the granular-gas system exhibits a Knudsen regime. This instability provides an opportunity to quantitatively test models of two-phase flow.

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

    DEFF Research Database (Denmark)

    Johnson, Matthew Stanley; Nilsson, Elna Johanna Kristina; Svensson, Erik Anders

    2014-01-01

    In this article, gas-phase advanced oxidation, a new method for pollution control building on the photo-oxidation and particle formation chemistry occurring in the atmosphere, is introduced and characterized. The process uses ozone and UV-C light to produce in situ radicals to oxidize pollution....... The laboratory prototype was built of standard ventilation duct and could treat up to 850 m3/h. A portable continuous-flow prototype built in an aluminum flight case was able to treat 46 m3/h. Removal efficiencies of >95% were observed for propane, cyclohexane, benzene, isoprene, aerosol particle mass, and ozone...... on these results, in situ gas-phase advanced oxidation is a viable control strategy for most volatile organic compounds, specifically those with a OH* reaction rate higher than ca. 5 × 10-13 cm3/s. Gas-phase advanced oxidation is able to remove compounds that react with OH and to control ozone and total...

  15. 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.

  16. 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...

  17. Gas-liquid phase separation in oppositely charged colloids: stability and interfacial tension.

    Science.gov (United States)

    Fortini, Andrea; Hynninen, Antti-Pekka; Dijkstra, Marjolein

    2006-09-07

    We study the phase behavior and the interfacial tension of the screened Coulomb (Yukawa) restricted primitive model (YRPM) of oppositely charged hard spheres with diameter sigma using Monte Carlo simulations. We determine the gas-liquid and gas-solid phase transitions using free energy calculations and grand-canonical Monte Carlo simulations for varying inverse Debye screening length kappa. We find that the gas-liquid phase separation is stable for kappasigmaMonte Carlo simulations. The interfacial tension decreases upon increasing the range of the interaction. In particular, we find that simple scaling can be used to relate the interfacial tension of the YRPM to that of the restricted primitive model, where particles interact with bare Coulomb interactions.

  18. Oxidation of formic acid on the Pt(111) surface in the gas phase.

    Science.gov (United States)

    Gao, Wang; Keith, John A; Anton, Josef; Jacob, Timo

    2010-09-28

    Formic acid (HCOOH) oxidation on Pt(111) under gas-phase conditions is a benchmark heterogeneous catalysis reaction used to probe electro-catalytic HCOOH conversion in fuel cells, itself an important reaction in energy conversion. We used density functional theory (DFT) calculations to elucidate the fundamental oxidation mechanisms of HCOOH in the gas phase, determining the relative strengths of chemical interactions between HCOOH oxidation intermediates and the Pt(111) surface. We focused on investigating how water and adsorption coverage affects reaction intermediate structures and transition states. Our results show that adsorbed HCOO is a reactive intermediate in gas phase, and co-adsorbed water plays a key role in HCOOH oxidation influencing the structure of reaction intermediates and reaction barriers on Pt(111). The simulations show the preferred catalytic pathway is qualitatively dependent on surface coverage. These results provide a conceptual basis to better interpret its complicated experimental reaction kinetics.

  19. Dynamic Study of Polymer Particle Growth in Gas Phase Polymerization of Butadiene

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    An experimental apparatus composed of microscope, video camera. image-processing, and mini reactor which can be used for real-time measurement of the growth of polymer particle in gas phase polymerization was built up to carry out dynamic study of gas phase polymerization of butadiene by heterogeneous catalyst based on neodymium(Nd). The studies of the shape duplication of polymer particles and catalyst particles and the growth rate of polymer particle were made. Results show that the apparatus and procedure designed can be well utilized to make dynamic observation and data collection of the growth of polymer particle in gas phase polymerization. A phenomenon of shape duplication of polymer particles and catalyst particles was observed by the real-time measurement. The result also concludes that the activity of individual catalyst particle is different, and the effect of reaction pressure on the growth of polymer particle is significant.

  20. Numerical Study of Void Fraction Distribution Propagation in Gas-Liquid Two-Phase Flow

    Institute of Scientific and Technical Information of China (English)

    YANG Jianhui; LI Qing; LU Wenqiang

    2005-01-01

    A dynamic propagation model was developed for waves in two-phase flows by assuming that continuity waves and dynamic waves interact nonlinearly for certain flow conditions. The drift-flux model is solved with the one-dimensional continuity equation for gas-liquid two-phase flows as an initial-boundary value problem solved using the characteristic-curve method. The numerical results give the void fraction distribution propagation in a gas-liquid two-phase flow which shows how the flow pattern transition occurs. The numerical simulations of different flow patterns show that the void fraction distribution propagation is determined by the characteristics of the drift-flux between the liquid and gas flows and the void fraction range. Flow pattern transitions begin around a void fraction of 0.27 and end around 0.58. Flow pattern transitions do not occur for very high void concentrations.

  1. OMVPE growth and gas-phase reactions of AlGaN for UV emitters

    Energy Technology Data Exchange (ETDEWEB)

    Han, J.; Figiel, J.J.; Crawford, M.H.; Banas, M.A.; Bartram, M.E.; Biefeld, R.M. [Sandia National Labs., Albuquerque, NM (United States); Song, Y.K.; Nurmikko, A.V. [Brown Univ., Providence, RI (United States). Div. of Engineering

    1998-06-01

    Gas-phase parasitic reactions among TMG, TMA, and NH3, are investigated by monitoring of the growth rate/incorporation efficiency of GaN and AlN using an in-situ optical reflectometer. It is suggested that gas phase adduct (TMA: NH{sub 3}) reactions not only reduce the incorporation efficiency of TMA but also affect the incorporation behavior of TMGa. The observed phenomena can be explained by either a synergistic gas-phase scavenging effect or a surface site-blocking effect. Relatively low reactor pressures (30--50 Torr) are employed to grow an AlGaN/GaN QW p-n diode structure. The UV emission at 354 nm (FWHM {approximately} 6 nm) represents the first report of LED operation from an indium-free GaN QW diode.

  2. Do all the protic ionic liquids exist as molecular aggregates in the gas phase?

    Science.gov (United States)

    Zhu, Xiao; Wang, Yong; Li, Haoran

    2011-10-21

    According to an EI-MS study of 1,1,3,3-tetramethylguanidium-based protic ionic liquids (PILs), it has been concluded that not all PILs exist as molecular aggregates in the gas phase. The detection of both ions of m/z 115.0 and m/z 116.0 for the 1,1,3,3-tetramethylguanidinium trifluoromethylsulfonate (TMGS) protic ionic liquid indicates that both the molecular and ionic aggregates co-exist in the gas phase, which is to say that the TMGS may also evaporate via the ionic aggregates just like aprotic ionic liquids. Furthermore, investigation on triethylamine-based and 1-methylimidazole-based PILs confirmed that the gas phase structure of PILs depends on both the acidity and basicity of the corresponding acid and base.

  3. Device for two-dimensional gas-phase separation and characterization of ion mixtures

    Science.gov (United States)

    Tang, Keqi; Shvartsburg, Alexandre A.; Smith, Richard D.

    2006-12-12

    The present invention relates to a device for separation and characterization of gas-phase ions. The device incorporates an ion source, a field asymmetric waveform ion mobility spectrometry (FAIMS) analyzer, an ion mobility spectrometry (IMS) drift tube, and an ion detector. In one aspect of the invention, FAIMS operating voltages are electrically floated on top of the IMS drift voltage. In the other aspect, the FAIMS/IMS interface is implemented employing an electrodynamic ion funnel, including in particular an hourglass ion funnel. The present invention improves the efficiency (peak capacity) and sensitivity of gas-phase separations; the online FAIMS/IMS coupling creates a fundamentally novel two-dimensional gas-phase separation technology with high peak capacity, specificity, and exceptional throughput.

  4. 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.

  5. Evaluated kinetic and photochemical data for atmospheric chemistry: Volume III ? gas phase reactions of inorganic halogens

    OpenAIRE

    Atkinson, R.; Baulch, D. L.; Cox, R A; J. N. Crowley; Hampson, R. F.; Hynes, R. G.; Jenkin, M. E.; M. J. Rossi; Troe, J.

    2007-01-01

    International audience; This article, the third in the series, presents kinetic and photochemical data evaluated by the IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry. It covers the gas phase and photochemical reactions of inorganic halogen species, which were last published in J. Phys. Chem. Ref. Data, in 2000 (Atkinson et al., 2000), were updated on the IUPAC website in 2003 and are updated again in the present evaluation. The article consists of a summary sheet...

  6. Synthesis gas demonstration plant program, Phase I. Site confirmation report

    Energy Technology Data Exchange (ETDEWEB)

    1978-12-01

    With few reservations, the Baskett, Kentucky site exhibits the necessary characteristics to suggest compatibility with the proposed Synthesis Gas Demonstration Plant Project. An evaluation of a broad range of technical disciplinary criteria in consideration of presently available information indicated generally favorable conditions or, at least, conditions which could be feasibly accommodated in project design. The proximity of the Baskett site to market areas and sources of raw materials as well as a variety of transportation facilities suggests an overall favorable impact on Project economic feasibility. Two aspects of environmental engineering, however, have been identified as areas where the completion or continuation of current studies are required before removing all conditions on site suitability. The first aspect involves the current contradictory status of existing land use and planning ordinances in the site area. Additional investigation of the legality of, and local attitudes toward, these present plans is warranted. Secondly, terrestrial and aquatic surveys of plant and animal life species in the site area must be completed on a seasonal basis to confirm the preliminary conclusion that no exclusionary conditions exist.

  7. Gas adsorption/absorption heat switch, phase 1

    Science.gov (United States)

    Chan, C. K.

    1987-01-01

    The service life and/or reliability of far-infrared sensors on surveillance satellites is presently limited by the cryocooler. The life and/or reliability, however, can be extended by using redundant cryocoolers. To reduce parasitic heat leak, each stage of the inactive redundant cryocooler must be thermally isolated from the optical system, while each stage of the active cryocooler must be thermally connected to the system. The thermal break or the thermal contact can be controlled by heat switches. Among different physical mechanisms for heat switching, mechanically activated heat switches tend to have low reliability and, furthermore, require a large contact force. Magnetoresistive heat switches are, except at very low temperatures, of very low efficiency. Heat switches operated by the heat pipe principle usually require a long response time. A sealed gas gap heat switch operated by an adsorption pump has no mechanical motion and should provide the reliability and long lifetime required in long-term space missions. Another potential application of a heat switch is the thermal isolation of the optical plane during decontamination.

  8. c2d Spitzer IRS Spectra of Disks around T Tauri Stars. III. [Ne II], [Fe I], and H_2 gas-phase lines

    CERN Document Server

    Lahuis, Fred; Blake, Geoffrey A; Evans, Neal J; Kessler-Silacci, Jacqueline E; Pontoppidan, Klaus M

    2007-01-01

    We present a survey of mid-infrared gas-phase lines toward a sample of 76 circumstellar disks around low mass pre-main sequence stars from the Spitzer "Cores to Disks" legacy program. We report the first detections of [Ne II] and [Fe I] toward classical T Tauri stars in ~20% respectively ~9% of our sources. The observed [Ne II] line fluxes and upper limits are consistent with [Ne II] excitation in an X-ray irradiated disk around stars with X-ray luminosities L_X=10^{29}-10^{31} erg s^{-1}. [Fe I] is detected at ~10^-5-10^-4 L_Sun, but no [S I] or [Fe II] is detected down to ~10^{-6} L_Sun. The [Fe I] detections indicate the presence of gas-rich disks with masses of >~0.1 M_J. No H_2 0-0 S(0) and S(1) disk emission is detected, except for S(1) toward one source. These data give upper limits on the warm (T~100-200K) gas mass of a few Jovian masses, consistent with recent T Tauri disk models which include gas heating by stellar radiation. Compact disk emission of hot (T>~500K) gas is observed through the H_2 0-0...

  9. Humidity independent mass spectrometry for gas phase chemical analysis via ambient proton transfer reaction

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Hongying; Huang, Guangming, E-mail: gmhuang@ustc.edu.cn

    2015-03-31

    Graphical abstract: Direct and humidity independent mass spectrometry analysis of gas phase chemicals could be achieved via ambient proton transfer ionization, ion intensity was found to be stable with humidity ranged from ∼10% to ∼100%. - Highlights: • A humidity independent mass spectrometric method for gas phase samples analysis. • A universal and good sensitivity method. • The method can real time identify plant released raw chemicals. - Abstract: In this work, a humidity independent mass spectrometric method was developed for rapid analysis of gas phase chemicals. This method is based upon ambient proton transfer reaction between gas phase chemicals and charged water droplets, in a reaction chamber with nearly saturate humidity under atmospheric pressure. The humidity independent nature enables direct and rapid analysis of raw gas phase samples, avoiding time- and sample-consuming sample pretreatments in conventional mass spectrometry methods to control sample humidity. Acetone, benzene, toluene, ethylbenzene and meta-xylene were used to evaluate the analytical performance of present method. The limits of detection for benzene, toluene, ethylbenzene and meta-xylene are in the range of ∼0.1 to ∼0.3 ppbV; that of benzene is well below the present European Union permissible exposure limit for benzene vapor (5 μg m{sup −3}, ∼1.44 ppbV), with linear ranges of approximately two orders of magnitude. The majority of the homemade device contains a stainless steel tube as reaction chamber and an ultrasonic humidifier as the source of charged water droplets, which makes this cheap device easy to assemble and facile to operate. In addition, potential application of this method was illustrated by the real time identification of raw gas phase chemicals released from plants at different physiological stages.

  10. Plasma-produced phase-pure cuprous oxide nanowires for methane gas sensing

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Qijin, E-mail: ijin.cheng@xmu.edu.cn; Zhang, Fengyan [School of Energy Research, Xiamen University, Xiamen City, Fujian Province 361005 (China); Yan, Wei [School of Electrical Engineering and Telecommunications, University of New South Wales, Sydney, New South Wales 2052 (Australia); Plasma Nanoscience Laboratories, CSIRO Materials Science and Engineering, Lindfield, New South Wales 2070 (Australia); Randeniya, Lakshman [Plasma Nanoscience Laboratories, CSIRO Materials Science and Engineering, Lindfield, New South Wales 2070 (Australia); Ostrikov, Kostya [Plasma Nanoscience Laboratories, CSIRO Materials Science and Engineering, Lindfield, New South Wales 2070 (Australia); Plasma Nanoscience, School of Physics, The University of Sydney, Sydney, New South Wales 2006 (Australia)

    2014-03-28

    Phase-selective synthesis of copper oxide nanowires is warranted by several applications, yet it remains challenging because of the narrow windows of the suitable temperature and precursor gas composition in thermal processes. Here, we report on the room-temperature synthesis of small-diameter, large-area, uniform, and phase-pure Cu{sub 2}O nanowires by exposing copper films to a custom-designed low-pressure, thermally non-equilibrium, high-density (typically, the electron number density is in the range of 10{sup 11}–10{sup 13} cm{sup −3}) inductively coupled plasmas. The mechanism of the plasma-enabled phase selectivity is proposed. The gas sensors based on the synthesized Cu{sub 2}O nanowires feature fast response and recovery for the low-temperature (∼140 °C) detection of methane gas in comparison with polycrystalline Cu{sub 2}O thin film-based gas sensors. Specifically, at a methane concentration of 4%, the response and the recovery times of the Cu{sub 2}O nanowire-based gas sensors are 125 and 147 s, respectively. The Cu{sub 2}O nanowire-based gas sensors have a potential for applications in the environmental monitoring, chemical industry, mining industry, and several other emerging areas.

  11. Direct Numerical Simulation of biomass pyrolysis and combustion with gas phase reactions

    Science.gov (United States)

    Awasthi, A.; Kuerten, J. G. M.; Geurts, B. J.

    2016-09-01

    We present Direct Numerical Simulation of biomass pyrolysis and combustion in a turbulent channel flow. The model includes simplified models for biomass pyrolysis and char combustion along with a model for particle tracking. The gas phase is modelled as a mixture of reacting gas species. The gas-particle interactions for mass, momentum, and energy exchange are included by two-way coupling terms. The effect of two-way coupling on the conversion time of biomass particles is found noticeable for particle volume fractions > 10-5. We also observe that at constant volume fraction the effect of two-way coupling increases as the particle size is reduced, due to the higher total heat exchange area in case of smaller particles. The inclusion of gas phase homogeneous reactions in the DNS model decreases the biomass pyrolysis time due to higher gas temperatures. In contrast, including gas phase reactions increases the combustion time of biomass due to the lower concentration of oxygen at the particle surface.

  12. Influence of structured packing on gas holdup in a three-phase bubble column

    DEFF Research Database (Denmark)

    Monsalvo, Matias Alfonso; Böhm, Ursula

    2007-01-01

    In this work, the influence of structured packing on gas holdup in gas-liquid-solid dispersions has been studied. The experiments were carried out in an empty column and in column containing structured packing operating under identical conditions. Glass beads and silicon carbide particles were used....... The influence of structured packing on the total gas holdup for different superficial gas velocities was found to be similar with and without suspended solids. Therefore, the results obtained in this work were analysed on the basis of correlations derived earlier for gas-liquid dispersions. Excepting...... as the solid material and the volumetric fraction of solids was varied from 0% to around 10%. The liquid viscosity was strongly modified using water, CMC solution and glycerol. The experimental results obtained with both columns were compared with previous results obtained in two-phase bubble columns...

  13. STABILITY OF VORTEX STREET IN GAS-LIQUID TWO-PHASE FLOW

    Institute of Scientific and Technical Information of China (English)

    Li Yong-guang; Lin Zong-hu

    2003-01-01

    The stability of the Karmen vortex street in gas-liquid two-phase flow was studied experimentally and theoretically. The values of the parameter h/l characterizing the vortex street structure (I.e., the ratio of the vortex street width to the distance between two vortexes) for a stable vortex street in gas-liquid two-phase flow were obtained for the first time. The parameter h/l was proved to be a variable, not a constant as in single-phase flow. H/l is related to the upstream fluid void fraction. In gas-liquid two-phase fluid flow to form a steady vortex street is more difficult than in a single-phase fluid flow. Because in the unsteady vortex shedding the vortex shedding band frequency is broader than the one in the single phase fluid flow, so it is easier to induce the cross-cylinder resonance than in the single phase fluid flow, and this case should give rise to the attention of engineers.

  14. Studies of cluster-assembled materials: From gas phase to condensed phase

    Science.gov (United States)

    Gao, Lin

    . After being mass gated in a reflectron equipped time-of-flight mass spectrometer (TOF-MS) and deposited onto TEM grids, the resultant specimens can be loaded onto high-resolution TEM investigation via electron diffraction. In conclusion, soft-landing of mass selected clusters has been shown to be a successful approach to obtain structural information on Zr-Met-Car cluster-assembled materials collected from the gas phase. TEM images indicate the richness of the morphologies associated with these cluster crystals. However, passivation methods are expected to be examined further to overcome the limited stabilities of these novel clusters. From this initial study, it's shown the promising opportunity to study other Met-Cars species and more cluster-based materials. Experimental results of reactions run with a solvothermal synthesis method obtained while searching for new Zr-C cluster assembled materials, are reported. One unexpected product in single crystal form was isolated and tentatively identified by X-ray diffraction to be [Zr6i O(OH)O12·2(Bu)4], with space group P2 1/n and lattice parameters of a = 12.44 A, b = 22.06 A, c = 18.40 A, alpha = 90°, beta = 105°, gamma = 90°, V = 4875 A3 and R 1 = 3.15% for the total observed data (I ≥ 2 sigma I) and oR2 = 2.82%. This novel hexanuclear Zr(IV)-oxo-hydroxide cluster anion may be the first member in polyoxometalates class with metal atoms from the IVB group and having Oh symmetry. Alternatively, it may be the first member in {[(Zr6Z)X 12]X6}m- class with halides replaced by oxo- and hydroxyl groups and with an increased oxidation state of Zr. It is predicted to bear application potentials directed by both families. This work could suggest a direction in which the preparation of Zr-C cluster-assembled materials in a liquid environment may be eventually fulfilled. 1,3-Bis(diethylphosphino)propane (depp) protected small gold clusters are studied via multiple techniques, including Electrospray Ionization Mass Spectrometry

  15. Gas phase infrared spectra and corresponding DFT calculations of α, ω-diphenylpolyenes

    Science.gov (United States)

    Biemann, Lars; Braun, Michaela; Kleinermanns, Karl

    2010-01-01

    We present gas phase Fourier Transform Infrared (FTIR) spectra of the homologue series of α, ω-diphenylpolyenes consisting of trans- and cis-stilbene, diphenylbutadiene (DPB) and diphenylhexatriene (DPH) obtained by a fast thermal heating technique that enables vaporization without decomposition. Infrared marker bands for the cis-isomers of the polyenes have been identified by density functional calculations at the B3LYP/TZVP level of theory. The all trans isomers of DPB and DPH do not interconvert to the cis-isomers in the gas phase at 200 °C.

  16. Characterization of annular two-phase gas-liquid flows in microgravity

    Science.gov (United States)

    Bousman, W. Scott; Mcquillen, John B.

    1994-01-01

    A series of two-phase gas-liquid flow experiments were developed to study annular flows in microgravity using the NASA Lewis Learjet. A test section was built to measure the liquid film thickness around the perimeter of the tube permitting the three dimensional nature of the gas-liquid interface to be observed. A second test section was used to measure the film thickness, pressure drop and wall shear stress in annular microgravity two-phase flows. Three liquids were studied to determine the effects of liquid viscosity and surface tension. The result of this study provide insight into the wave characteristics, pressure drop and droplet entrainment in microgravity annular flows.

  17. A microcomputer-controlled gas phase microreactor system

    Energy Technology Data Exchange (ETDEWEB)

    Morris, R.M.

    1983-08-01

    Although automated reactors are effective tools for studying a single type of reaction or optimizing catalyst performance, they may not be well suited for exploratory research. These reactors generally have several shortcomings. First, they may have limited versatility since they are usually designed with a single application in mind. Second, computer systems used for process control and data acquisition are often expensive and complex, so that once they are set up for a given application, it is quite difficult to adapt them for another. Because of these restrictions, experimental reactors are often operated manually, requiring a full-time operator to monitor operations and acquire data. This is a greater problem in laboratories where projects are often short-term, and the costs of setting up an automated reactor may outweigh the benefits of automation. For an automated reactor to be cost-effective in such an environment, both reactor hardware and control software must be versatile enough that they can be easily modified and adapted for different experiments. An automated gas-flow microreactor has been designed and constructed which is both inexpensive and flexible. The reactor is capable of performing three different types of experiments, 1) continuous reagent feed with analysis of the product stream, 2) pulsed-flow experiments, and 3) temperature-programmed desorption (TPD) and reaction (TPR). Conversion of the reactor from one configuration to another requires less than one hour. Process control and data acquisition are performed using an Apple II Plus microcomputer (Apple Computer Corp., Cupertino, Calif.) and an ISAAC interface device (Cyborg Corp., Newton, Mass.).

  18. Incorporating the molecular gas phase in galaxy-size numerical simulations: first applications in dwarf galaxies

    CERN Document Server

    Pelupessy, F I; Van der Werf, P P

    2006-01-01

    We present models of the evolution of the gaseous and stellar content of galaxies incorporating the formation of H_2 out of HI gas as part of such a model. We do so by formulating a subgrid model for gas clouds that uses well-known cloud scaling relations and solves for the HI-H_2 balance set by the H_2 formation on dust grains and its FUV-induced photodissociation by the temporally and spatially varying interstellar radiation field. This allows the seamless tracking of the evolution of the H_2 gas phase, its precursor Cold Neutral Medium (CNM) HI gas, simultaneously with the star formation. Our most important findings are: a) a significant dependence of the HI-H_2 transition and the resultant H_2 gas mass on the ambient metallicity and the H_2 formation rate, b) the important influence of the characteristic star formation timescale (regulating the ambient FUV radiation field) on the equilibrium H_2 gas mass and c) the possibility of a diffuse H_2 gas phase. Finally, we implement and briefly explore a novel a...

  19. 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-3-methylimidazolium n-octylsulfate on silica support. The Rh-sulfoxantphos SILP catalysts proved to be more regioselective than catalysts without ligand and the analogous ionic liquid-free catalysts, giving up to 96% linear product. Furthermore, the performance of the catalysts was generally...

  20. An approximate calculation of advective gas-phase transport of 14C at Yucca Mountain, Nevada

    Science.gov (United States)

    Knapp, R. B.

    1990-01-01

    A quasilinear partial differential equation, which describes gas-phase transport of a 14C kinematic wave through a porous medium, is derived, its sensitivity to system variables is analyzed and it is applied to one possible release scenarion at the porposed Yucca Mountain, Nevada high-level radioactive waste repository. Advection, isotope exchange between CO 2 in a flowing gas phase and HCO 3- in a static aqueous phase, and radioactive decay are incorporated. The governing equation is solved analytically by the method of characteristics. The mass fraction of 14C in the gas phase,X 14g, is controlled by radioactive decay. The relatively long half-line of 14C, about 5720 years, and the relatively shallow proposed burial depth of the radioactive waste, about 350m, requires significant retardation of the 14C wave velocity for significant reduction in X 14g. 14C wave velocity is most sensitive to temperature and pH which control the distribution of total carbon between gas and liquid phase; the greater the partitioning of carbon into the liquid phase, the greater the retardation of the 14C wave velocity and the greater the ultimate reduction in X 14g from initial conditions. Partitioning of total carbon into the liquid phase is greatest at low temperatures, 8. Increasing water saturation also tends to retard 14C wave velocity but to a lesser extent. The governing equation has been applied using conditions that may possibly occur at the proposed Yucca Mountain repository. Calculations indicate that the 14C wave takes about 5900 years to reach the surface with a X 14g equal to 25 ppm. Diffusion and dispersion are not of major importance for these conditions. These calculations are approximate due to the number of assumptions involved. Discharge of 14C into the gas before the selected time would accelerate wave arrival and increase the amount of 14C reaching the surface.

  1. 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.

  2. Analytical solutions for a soil vapor extraction model that incorporates gas phase dispersion and molecular diffusion

    Science.gov (United States)

    Huang, Junqi; Goltz, Mark N.

    2017-06-01

    To greatly simplify their solution, the equations describing radial advective/dispersive transport to an extraction well in a porous medium typically neglect molecular diffusion. While this simplification is appropriate to simulate transport in the saturated zone, it can result in significant errors when modeling gas phase transport in the vadose zone, as might be applied when simulating a soil vapor extraction (SVE) system to remediate vadose zone contamination. A new analytical solution for the equations describing radial gas phase transport of a sorbing contaminant to an extraction well is presented. The equations model advection, dispersion (including both mechanical dispersion and molecular diffusion), and rate-limited mass transfer of dissolved, separate phase, and sorbed contaminants into the gas phase. The model equations are analytically solved by using the Laplace transform with respect to time. The solutions are represented by confluent hypergeometric functions in the Laplace domain. The Laplace domain solutions are then evaluated using a numerical Laplace inversion algorithm. The solutions can be used to simulate the spatial distribution and the temporal evolution of contaminant concentrations during operation of a soil vapor extraction well. Results of model simulations show that the effect of gas phase molecular diffusion upon concentrations at the extraction well is relatively small, although the effect upon the distribution of concentrations in space is significant. This study provides a tool that can be useful in designing SVE remediation strategies, as well as verifying numerical models used to simulate SVE system performance.

  3. Self-similarity of phase-space networks of frustrated spin models and lattice gas models

    Science.gov (United States)

    Peng, Yi; Wang, Feng; Han, Yilong

    2013-03-01

    We studied the self-similar properties of the phase-spaces of two frustrated spin models and two lattice gas models. The frustrated spin models included (1) the anti-ferromagnetic Ising model on a two-dimensional triangular lattice (1a) at the ground states and (1b) above the ground states and (2) the six-vertex model. The two lattice gas models were (3) the one-dimensional lattice gas model and (4) the two-dimensional lattice gas model. The phase spaces were mapped to networks so that the fractal analysis of complex networks could be applied, i.e. the box-covering method and the cluster-growth method. These phase spaces, in turn, establish new classes of networks with unique self-similar properties. Models 1a, 2, and 3 with long-range power-law correlations in real space exhibit fractal phase spaces, while models 1b and 4 with short-range exponential correlations in real space exhibit nonfractal phase spaces. This behavior agrees with one of untested assumptions in Tsallis nonextensive statistics. Hong Kong GRC grants 601208 and 601911

  4. Net global warming potential and greenhouse gas intensity of conventional and conservation agriculture system in rainfed semi arid tropics of India

    Science.gov (United States)

    Pratibha, G.; Srinivas, I.; Rao, K. V.; Shanker, Arun K.; Raju, B. M. K.; Choudhary, Deepak K.; Srinivas Rao, K.; Srinivasarao, Ch.; Maheswari, M.

    2016-11-01

    Agriculture has been considered as one of the contributors to greenhouse gas (GHG) emissions and it continues to increase with increase in crop production. Hence development of sustainable agro techniques with maximum crop production, and low global warming potential is need of the hour. Quantifying net global warming potential (NGWP) and greenhouse gas intensity (GHGI) of an agricultural activity is a method to assess the mitigation potential of the activity. But there is dearth of information on NGWP of conservation agriculture under rainfed conditions. Hence in this study two methods such as crop based (NGWPcrop) and soil based (NGWPsoil) were estimated from the data of the experiment initiated in 2009 in rainfed semiarid regions of Hyderabad, India with different tillage practices like conventional tillage (CT), reduced tillage (RT), zero tillage (ZT) and residue retention levels by harvesting at different heights which includes 0, 10 and 30 cm anchored residue in pigeonpea-castor systems. The results of the study revealed that under rainfed conditions CT recorded 24% higher yields over ZT, but CT and RT were on par with each other. However, the yield gap between the tillage treatments is narrowing down over 5 years of study. ZT and RT recorded 26 and 11% lower indirect GHG emissions (emissions from farm operations and input use) over CT, respectively. The percent contribution of CO2 eq. N2O emission is higher to total GHG emissions in both the crops. Both NGWPcrop, NGWPsoil, GHGIcrop, and GHGIsoil based were influenced by tillage and residue treatments. Further, castor grown on pigeonpea residue recorded 20% higher GHG emissions over pigeonpea grown on castor residues. The fuel consumption in ZT was reduced by 58% and 81% as compared to CT in pigeonpea and castor, respectively. Lower NGWP and GHGI based on crop and soil was observed with increase in crop residues and decrease in tillage intensity in both the crops. The results of the study indicate that, there

  5. The nearby interstellar medium towards alpha Leo -- UV observations and modeling of a warm cloud within hot gas

    CERN Document Server

    Gry, Cecile

    2016-01-01

    We analyze interstellar absorption features in the full UV spectrum of the nearby (d = 24 pc) B8 IVn star alpha Leo (Regulus) obtained at high resolution and high S/N by the HST ASTRAL Treasury program. We derive column densities for many key atomic species and interpret their partial ionizations. The gas in front of alpha Leo exhibits two absorption components, one of which coincides in velocity with the local interstellar cloud (LIC) that surrounds the Sun. The second, smaller, component is shifted by +5.6 km/s relative to the main component, in agreement with results for other lines of sight in this region of the sky. The excitation of the C II fine-structure levels and the ratio of Mg I to Mg II reveal a temperature T = 6500 (+750,-600)K and electron density n(e) = 0.11 (+0.025,-0.03) cm^-3. Our investigation of the ionization balance of all the available species indicates that about 1/3 of the hydrogen atoms are ionized and that metals are significantly depleted onto grains. We infer that N(H I) = 1.9 (+...

  6. ALMA Observations of Warm Dense Gas in NGC 1614 --- Breaking of Star Formation Law in the Central kpc

    CERN Document Server

    Xu, C K; Lu, N; Gao, Y; Diaz-Santos, T; Herrero-Illana, R; Meijerink, R; Privon, G; Zhao, Y -H; Evans, A S; König, S; Mazzarella, J M; Aalto, S; Appleton, P; Armus, L; Charmandaris, V; Chu, J; Haan, S; Inami, H; Murphy, E J; Sanders, D B; Schulz, B; van der Werf, P

    2014-01-01

    We present ALMA Cycle-0 observations of the CO (6-5) line emission and of the 435um dust continuum emission in the central kpc of NGC 1614, a local luminous infrared galaxy (LIRG) at a distance of 67.8 Mpc (1 arcsec = 329 pc). The CO emission is well resolved by the ALMA beam (0".26 x 0".20) into a circum-nuclear ring, with an integrated flux of f_{CO(6-5)} = 898 (+-153) Jy km/s, which is 63(+-12)% of the total CO(6-5) flux measured by Herschel. The molecular ring, located between 100pc < r < 350pc from the nucleus, looks clumpy and includes seven unresolved (or marginally resolved) knots with median velocity dispersion of 40 km/s. These knots are associated with strong star formation regions with \\Sigma_{SFR} 100 M_\\sun/yr/kpc^{2} and \\Sigma_{Gas} 1.0E4 M_\\sun/pc^{2}. The non-detections of the nucleus in both the CO (6-5) line emission and the 435um continuum rule out, with relatively high confidence, a Compton-thick AGN in NGC 1614. Comparisons with radio continuum emission show a strong deviation fro...

  7. Effect of liquid distribution on gas-water phase mass transfer in an unsaturated sand during infiltration

    Science.gov (United States)

    Imhoff, Paul T.; Jaffé, Peter R.

    1994-09-01

    Gas-water phase mass transfer was examined in a homogeneous sand with both the gas and water phase mobile: water was infiltrated from the top of the sand column while benzene-laden air flowed upward from the bottom. Mass-transfer limitations for this situation may be important for applications of bioventing, where water and nutrients are added at the ground surface simultaneously with induced air movement to carry oxygen and volatile organics to microbial populations. Gas- and water-phase samples indicate that gas-water phase mass transfer was sufficiently fast that equilibrium between gas and water phases was achieved at all sampling locations within the porous medium. Lower-bound estimates for the gas-water mass-transfer rate coefficient show that mass transfer was at least 10-40 times larger than predictions made from an empirical model developed for gas-water phase mass transfer in an identical porous medium. A water-phase tracer test demonstrates that water flow was much more uniform in this study than in those earlier experiments, which is a likely explanation for the differing rates of gas-water phase mass transfer. It is hypothesized that the liquid distribution in previous laboratory experiments was less uniform because of preferential flow paths due to wetting front instabilities. Gas-water phase mass-transfer rate coefficients reported in this investigation are for an ideal situation of uniform water infiltration: mass-transfer rates in field soils are expected to be significantly smaller.

  8. Powerful H2 Line Cooling in Stephan’s Quintet. II. Group-wide Gas and Shock Modeling of the Warm H2 and a Comparison with [C II] 157.7 μm Emission and Kinematics

    Science.gov (United States)

    Appleton, P. N.; Guillard, P.; Togi, A.; Alatalo, K.; Boulanger, F.; Cluver, M.; Pineau des Forêts, G.; Lisenfeld, U.; Ogle, P.; Xu, C. K.

    2017-02-01

    We map for the first time the two-dimensional H2 excitation of warm intergalactic gas in Stephan's Quintet on group-wide (50 × 35 kpc2) scales to quantify the temperature, mass, and warm H2 mass fraction as a function of position using Spitzer. Molecular gas temperatures are seen to rise (to T > 700 K) and the slope of the power-law density–temperature relation flattens along the main ridge of the filament, defining the region of maximum heating. We also performed MHD modeling of the excitation properties of the warm gas, to map the velocity structure and energy deposition rate of slow and fast molecular shocks. Slow magnetic shocks were required to explain the power radiated from the lowest-lying rotational states of H2, and strongly support the idea that energy cascades down to small scales and low velocities from the fast collision of NGC 7318b with group-wide gas. The highest levels of heating of the warm H2 are strongly correlated with the large-scale stirring of the medium as measured by [C ii] spectroscopy with Herschel. H2 is also seen associated with a separate bridge that extends toward the Seyfert nucleus in NGC 7319, from both Spitzer and CARMA CO observations. This opens up the possibility that both galaxy collisions and outflows from active galactic nuclei can turbulently heat gas on large scales in compact groups. The observations provide a laboratory for studying the effects of turbulent energy dissipation on group-wide scales, which may provide clues about the heating and cooling of gas at high z in early galaxy and protogalaxy formation.

  9. Numerical investigation of confined swirling gas-solid two phase jet

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    This paper presents a k-ε-kp multi-fluid model for simulating confined swirling gas-solid two phase jet comprised of particle-laden flow from a center tube and a swirling air stream entering the test section from the coaxial annular. A series of numerical simulations of the two-phase flow of 30 μm, 45 μm, 60 μm diameter particles respectively yielded results fitting well with published experimental data.

  10. Numerical Simulation of Swirling Gas-solid Two Phase Flow through a Pipe Expansion

    Institute of Scientific and Technical Information of China (English)

    Jin Hanhui; Xia Jun; Fan Jianren; Cen Kefa

    2001-01-01

    A k- ε -kp multi-fluid model is stated and adopted to simulate swirling gas-solid two phase flow. A particle-laden flow from a center tube and a swirling air stream from the coaxial annular enter the test section. A series of numerical simulations of the two-phase flow are performed based on 30 μ m, 45 μ m, 60 μ m diameter particles respectively. The results fit well with published experimental data.

  11. Numerical investigation of confined swirling gas-solid two phase jet

    Institute of Scientific and Technical Information of China (English)

    金晗辉; 夏钧; 樊建人; 岑可法

    2002-01-01

    This paper presents a k-e-kp multi-fluid model for simulating confined swirling gas-solid two phase jet comprised of particle-laden flow from a center tube and a swirling air stream entering the test section from the coaxial annular. A series of numerical simulations of the two-phase flow of 30μm, 45μm, 60μm diameter particles respectively yielded results fitting well with published experimental data.

  12. FTIR Determination of Pollutants in Automobile Exhaust: An Environmental Chemistry Experiment Comparing Cold-Start and Warm-Engine Conditions

    Science.gov (United States)

    Medhurst, Laura L.

    2005-01-01

    An experiment developed from the Advanced Integrated Environmental Laboratory illustrates the differences in automobile exhaust before and after the engine is warmed, using gas-phase Fourier transform infrared spectroscopy (FTIR). The apparatus consists of an Avatar 360 FTIR spectrometer from Nicolet fitted with a variable path length gas cell,…

  13. 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

  14. 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.

  15. Gas-phase recombination, grain neutralization and cosmic-ray ionization in diffuse gas

    CERN Document Server

    Liszt, H S

    2003-01-01

    Atomic ions are mostly neutralized by small grains (or PAH molecules) in current theories of heating and cooling in cool diffuse clouds; in the main they do not recombine with free electrons. This alters the ionization balance by depressing n(H+) and n(He+) while carbon generally remains nearly fully once-ionized: charge exchange with atomic oxygen and formation of H2 and OH also depress n(H+) in partly molecular gas. Seemingly restrictive empirical limits on the cosmic ray ionization rate of hydrogen ($\\zeta_H$) are relaxed and faster rates are favored in a wide range of circumstances, when grain neutralization is recognized. Maintenance of the proton density at levels needed to reproduce observations of HD requires $\\zeta_H$ at least 2x10^{-16} s^{-1}, but such models naturally explain the presence of both HD and H3^+ in relatively tenuous H I clouds. In dense gas, a higher ionization rate can account for high observed fractions of atomic hydrogen, and recognition of the effects of grain neutralization can ...

  16. Effects of a raised water table on greenhouse gas emissions and celery yield from agricultural peat under climate warming conditions

    Science.gov (United States)

    Matysek, Magdalena; Zona, Donatella; Leake, Jonathan; Banwart, Steven

    2017-04-01

    Peatlands are globally important areas for carbon preservation: covering only 3% of world's land, they store 30% of total soil carbon. At the same time, peat soils are widely utilised in agriculture: in Europe 14% of peatland area is under cultivation, 40% of UK peatlands have been drained for agricultural use and 24% of deep peat area in England is being farmed. One of the most important regions for crop production on lowland peats in the UK are the East Anglian Fenlands (the Fens): an area of drained peatlands in East England. 88% of the Fenland area is cultivated, sustaining around 4000 farms and supplying 37% of total vegetable production in England. The soils of the area are fertile (89% of agricultural land being classified as grade 1 or 2) and so crops with high nutritional demands tend to dominate. It is estimated that Fenland peats store 41 Tg of Carbon, which is lost from the ecosystem at a rate of 0.4 Tg C/yr. The Fens are at risk due to continued drainage-induced volume loss of the peat layer via shrinkage, compaction and oxidation, which are estimated to result in wastage rate of 2.1 cm/yr. Cultivation of peat soil requires drainage as most crops are intolerant of root-zone anoxia: this leads to creation of oxic conditions in which organic matter becomes vulnerable to mineralisation by aerobic microorganisms. It is, therefore, crucial to find a water table level which would minimise peat loss and at the same time allow for economically viable crop growth. Despite the importance of preservation of agricultural peats, there is a lack of studies which attempt to find water table level that strikes a balance between crop yield and greenhouse gas production. The future of the Fens is overshadowed by another uncertainty: increases in temperature brought by the climate change. It is estimated that average global temperature increase expected by the end of this century (relative to 1986-2005) would be within the range of 0.3-4.8°C, depending on the scenario

  17. Warm Jupiters from Secular Planet–Planet Interactions

    Science.gov (United States)

    Petrovich, Cristobal; Tremaine, Scott

    2016-10-01

    Most warm Jupiters (gas-giant planets with 0.1 {{au}}≲ a≲ 1 au) have pericenter distances that are too large for significant orbital migration by tidal friction. We study the possibility that the warm Jupiters are undergoing secular eccentricity oscillations excited by an outer companion (a planet or star) in an eccentric and/or mutually inclined orbit. In this model, the warm Jupiters migrate periodically, in the high-eccentricity phase of the oscillation, but are typically observed at lower eccentricities. We show that in this model the steady-state eccentricity distribution of the warm Jupiters is approximately flat, which is consistent with the observed distribution if we restrict the sample to warm Jupiters with detected outer planetary companions. The eccentricity distribution of warm Jupiters without companions exhibits a peak at e≲ 0.2 that must be explained by a different formation mechanism. Based on a population synthesis study, we find that high-eccentricity migration excited by an outer planetary companion (1) can account for ∼ 20 % of the warm Jupiters and most of the warm Jupiters with e≳ 0.4; and (2) can produce most of the observed population of hot Jupiters, with a semimajor axis distribution that matches the observations, but fails to account adequately for ∼ 60 % of hot Jupiters with projected obliquities ≲ 20^\\circ . Thus ∼ 20 % of the warm Jupiters and ∼ 60 % of the hot Jupiters can be produced by high-eccentricity migration. We also provide predictions for the expected mutual inclinations and spin-orbit angles of the planetary systems with hot and warm Jupiters produced by high-eccentricity migration.

  18. c2d Spitzer IRS spectra of embedded low-mass young stars: gas-phase emission lines

    CERN Document Server

    Lahuis, Fred; Jørgensen, Jes K; Blake, Geoffrey A; Evans, Neal J

    2010-01-01

    A survey of mid-IR gas-phase emission lines of H2, H2O and various atoms toward a sample of 43 embedded low-mass young stars in nearby star-forming regions is presented. The sources are selected from the Spitzer "Cores to Disks" (c2d) legacy program. The environment of embedded protostars is complex both in its physical structure (envelopes, outflows, jets, protostellar disks) and the physical processes (accretion, irradiation by UV and/or X-rays, excitation through slow and fast shocks) which take place. A key point is to spatially resolve the emission in the Spitzer-IRS spectra. An optimal extraction method is used to separate both spatially unresolved (compact, up to a few 100 AU) and spatially resolved (extended, 1000 AU or more) emission from the IRS spectra. The results are compared with the c2d disk sample and literature PDR and shock models to address the physical nature of the sources. Both compact and extended emission features are observed. Warm (Tex few 100 K) H2, observed through the pure rotatio...

  19. Gas-Phase Growth of Heterostructures of Carbon Nanotubes and Bimetallic Nanowires

    Directory of Open Access Journals (Sweden)

    Whi Dong Kim

    2011-01-01

    Full Text Available A simple, inexpensive, and viable method for growing multiple heterostructured carbon nanotubes (CNTs over the entire surface of Ni-Al bimetallic nanowires (NWs in the gas phase was developed. Polymer-templated bimetallic nitrate NWs were produced by electrospinning in the first step, and subsequent calcination resulted in the formation of bimetallic oxide NWs by thermal decomposition. In the second step, free-floating bimetallic NWs were produced by spray pyrolysis in an environment containing hydrogen gas as a reducing gas. These NWs were continuously introduced into a thermal CVD reactor in order to grow CNTs in the gas phase. Scanning electron microscopy (SEM, transmission electron microscopy (TEM, and Raman spectrometry analyses revealed that the catalytic Ni sites exposed in the non-catalytic Al matrix over the entire surface of the bimetallic NWs were seeded to radially grow highly graphitized CNTs, which resembled “foxtail” structures. The grown CNTs were found to have a relatively uniform diameter of approximately 10±2 nm and 10 to 15 walls with a hollow core. The average length of the gas-phase-grown CNTs can be controlled between 100 and 1000 nm by adjusting the residence time of the free-floating bimetallic NWs in the thermal CVD reactor.

  20. Warm Inflation

    Directory of Open Access Journals (Sweden)

    Øyvind Grøn

    2016-09-01

    Full Text Available I show here that there are some interesting differences between the predictions of warm and cold inflation models focusing in particular upon the scalar spectral index n s and the tensor-to-scalar ratio r. The first thing to be noted is that the warm inflation models in general predict a vanishingly small value of r. Cold inflationary models with the potential V = M 4 ( ϕ / M P p and a number of e-folds N = 60 predict δ n s C ≡ 1 − n s ≈ ( p + 2 / 120 , where n s is the scalar spectral index, while the corresponding warm inflation models with constant value of the dissipation parameter Γ predict δ n s W = [ ( 20 + p / ( 4 + p ] / 120 . For example, for p = 2 this gives δ n s W = 1.1 δ n s C . The warm polynomial model with Γ = V seems to be in conflict with the Planck data. However, the warm natural inflation model can be adjusted to be in agreement with the Planck data. It has, however, more adjustable parameters in the expressions for the spectral parameters than the corresponding cold inflation model, and is hence a weaker model with less predictive force. However, it should be noted that the warm inflation models take into account physical processes such as dissipation of inflaton energy to radiation energy, which is neglected in the cold inflationary models.

  1. A HIFI preview of warm molecular gas around chi Cyg : first detection of H2O emission toward an S-type AGB star

    CERN Document Server

    Justtanont, K; Schoier, F L; Maercker, M; Olofsson, H; Bujarrabal, V; Marston, A P; Teyssier, D; Alcolea, J; Cernicharo, J; Dominik, C; de Koter, A; Melnick, G; Menten, K; Neufeld, D; Planesas, P; Schmidt, M; Szczerba, R; Waters, R; de Graauw, Th; Whyborn, N; Finn, T; Helmich, F; Siebertz, O; Schmulling, F; Ossenkopf, V; Lai, R

    2010-01-01

    A set of new, sensitive, and spectrally resolved, sub-millimeter line observations are used to probe the warm circumstellar gas around the S-type AGB star chi Cyg. The observed lines involve high rotational quantum numbers, which, combined with previously obtained lower-frequency data, make it possible to study in detail the chemical and physical properties of, essentially, the entire circumstellar envelope of chi Cyg. The data were obtained using the HIFI instrument aboard Herschel, whose high spectral resolution provides valuable information about the line profiles. Detailed, non-LTE, radiative transfer modelling, including dust radiative transfer coupled with a dynamical model, has been performed to derive the temperature, density, and velocity structure of the circumstellar envelope. We report the first detection of circumstellar H2O rotational emission lines in an S-star. Using the high-J CO lines to derive the parameters for the circumstellar envelope, we modelled both the ortho- and para-H2O lines. Our...

  2. The warm ionized gas in CALIFA early-type galaxies: 2D emission-line patterns and kinematics for 32 galaxies

    CERN Document Server

    Gomes, J M; Kehrig, C; Vílchez, J M; Lehnert, M D; Sánchez, S F; Ziegler, B; Breda, I; Reis, S N dos; Iglesias-Páramo, J; Bland-Hawthorn, J; Galbany, L; Bomans, D J; Rosales-Ortega, F F; Fernandes, R Cid; Walcher, C J; Falcón-Barroso, J; García-Benito, R; Márquez, I; del Olmo, A; Masegosa, J; Mollá, M; Marino, R A; Delgado, R M González; López-Sánchez, Á R

    2015-01-01

    The morphological, spectroscopic and kinematical properties of the warm interstellar medium (wim) in early-type galaxies (ETGs) hold key observational constraints to nuclear activity and the buildup history of these massive, quiescent systems. High-quality integral field spectroscopy (IFS) data with a wide spectral and spatial coverage, such as those from the CALIFA survey, offer an unprecedented opportunity for advancing our understanding of the wim in ETGs. This article centers on a 2D investigation of the wim component in 32 nearby (<~150Mpc) ETGs from CALIFA, complementing a previous 1D analysis of the same sample (Papaderos et al. 2013; P13). We include here H\\alpha\\ intensity and equivalent width (EW) maps and radial profiles, diagnostic emission-line ratios, besides ionized-gas and stellar kinematics. This study is supplemented by \\tau-ratio maps as an efficient means to quantify the role of photoionization by pAGB stars, as compared to other mechanisms (e.g., AGN, low-level star formation). Additio...

  3. Analysis of the thin layer of Galactic warm ionized gas in the range 20 < l < 30 deg, -1.5 < b < +1.5 deg

    CERN Document Server

    Paladini, R; Davies, R D; Giard, M

    2005-01-01

    We present an analysis of the thin layer of Galactic warm ionized gas at an angular resolution ~ 10'. This is carried out using radio continuum data at 1.4 GHz, 2.7 GHz and 5 GHz in the coordinate region 20 < l < 30 deg, -1.5 < b < +1.5 deg. For this purpose, we evaluate the zero level of the 2.7 and 5 GHz surveys using auxiliary data at 2.3 GHz and 408 MHz. The derived zero level corrections are T_{zero}(2.7 GHz)=0.15 +/- 0.06 K and T_{zero}(5 GHz)=0.1 +/- 0.05 K. We separate the thermal (free-free) and non-thermal (synchrotron) component by means of a spectral analysis performed adopting an antenna temperature spectral index -2.1 for the free-free emission, a realistic spatial distribution of indices for the synchrotron radiation and by fitting, pixel-by-pixel, the Galactic spectral index. We find that at 5 GHz, for |b| = 0 deg, the fraction of thermal emission reaches a maximum value of 82%, while at 1.4 GHz, the corresponding value is 68%. In addition, for the thermal emission, the analysis in...

  4. On the phase-correlation and phase-fluctuation dynamics of a strongly excited Bose gas

    Energy Technology Data Exchange (ETDEWEB)

    Sakhel, Roger R., E-mail: rogersakhel@yahoo.com [Department of Basic Sciences, Faculty of Information Technology, Isra University, Amman 11622 (Jordan); The Abdus Salam International Center for Theoretical Physics, Strada Costiera 11, Trieste 34151 (Italy); Sakhel, Asaad R. [Department of Applied Sciences, Faculty of Engineering Technology, Balqa Applied University, Amman 11134 (Jordan); The Abdus Salam International Center for Theoretical Physics, Strada Costiera 11, Trieste 34151 (Italy); Ghassib, Humam B. [Department of Physics, The University of Jordan, Amman 11942 (Jordan)

    2015-12-01

    The dynamics of a Bose–Einstein condensate (BEC) is explored in the wake of a violent excitation caused by a strong time-dependent deformation of a trapping potential under the action of an intense stirring laser. The system is a two-dimensional BEC confined to a power-law trap with hard-wall boundaries. The stirring agent is a moving red-detuned laser potential. The time-dependent Gross–Pitaevskii equation is solved numerically by the split-step Crank–Nicolson method in real time. The phase correlations and phase fluctuations are examined as functions of time to demonstrate the evolving properties of a strongly-excited BEC. Of special significance is the occurrence of spatial fluctuations while the condensate is being excited. These oscillations arise from stirrer-induced density fluctuations. While the stirrer is inside the trap, a reduction in phase coherence occurs, which is attributed to phase fluctuations.

  5. Gas-phase infrared multiple photon dissociation spectroscopy of isolated SF6- and SF5- anions

    NARCIS (Netherlands)

    Steill, J. D.; Oomens, J.; Eyler, J. R.; Compton, R. N.

    2008-01-01

    Resonantly enhanced multiple photon dissociation of gas-phase SF6- and SF5- is studied using tunable infrared light from the FELIX free electron laser. The photodissociation spectrum of the sulfur hexafluoride anion, producing SF5-, is recorded over the spectral range of 250-1650 cm(-1). The infrare

  6. Gas phase considerations for the growth of device quality nanocrystalline silicon at high rate

    NARCIS (Netherlands)

    Rath, J.K.; Verkerk, A.D.; Liu, Y.; Brinza, M.; Goedheer, W.J.; Schropp, R.E.I.

    2008-01-01

    In order to increase industrial viability and to find niche markets, high deposition rate and low temperature depositions compared to standard deposition conditions are two recent trends in research areas concerning thin film silicon. In situ diagnostic tools to monitor gas phase conditions are usef

  7. Gas phase considerations for the growth of device quality nanocrystalline silicon at high rate

    NARCIS (Netherlands)

    J.K. Rath,; Verkerk, A. D.; Liu, Y.; Brinza, M.; W. J. Goedheer,; Schropp, R. E. I.

    2009-01-01

    In order to increase industrial viability and to find niche markets, high deposition rate and low temperature depositions compared to standard deposition conditions are two recent trends in research areas concerning thin film silicon. In situ diagnostic tools to monitor gas phase conditions are usef

  8. Cationic and neutral nitrosamide: Viable molecules in the dilute gas phase

    DEFF Research Database (Denmark)

    Egsgaard, H.; Carlsen, L.; Weiske, T.;

    1992-01-01

    Nitrosamide, NH2NO, has been generated and characterized in the dilute gas phase by means of neutralization reionization mass spectrometry in combination with extensive isotopic labelling. The molecule was found to be stable under these conditions having a minimal lifetime in the microsecond time...

  9. Experimental Gas-Phase Thermochemistry for Alkane Reductive Elimination from Pt(IV)

    NARCIS (Netherlands)

    Couzijn, Erik P. A.; Kobylianskii, Ilia J.; Moret, Marc-Etienne; Chen, Peter

    2014-01-01

    The gas-phase reactivity of the [(NN)(PtMe3)-Me-IV](+) (NN = alpha-diimine) complex 1 and its acetonitrile adduct has been investigated by tandem mass spectrometry. The only observed reaction from the octahedral d(6) complex 1 center dot MeCN is the simple dissociation of the coordinated solvent mol

  10. Conformation Switching in Gas-Phase Complexes of Histidine with Alkaline Earth Ions

    NARCIS (Netherlands)

    Dunbar, R. C.; Hopkinson, A. C.; Oomens, J.; Siu, C. K.; Siu, K. W. M.; Steill, J. D.; Verkerk, U. H.; Zhao, J. F.

    2009-01-01

    Infrared multiple photon dissociation spectroscopy of gas-phase doubly charged alkaline earth complexes of histidine reveals a transition from dominance of the zwitterion (salt bridge, SB) conformation with Ba2+ to substantial presence of the canonical (charge-solvated, CS) conformation with Ca2+. T

  11. Zwitterionic states in gas-phase polypeptide ions revealed by 157-nm ultra-violet photodissociation

    DEFF Research Database (Denmark)

    Kjeldsen, Frank; Silivra, Oleg A; Zubarev, Roman A

    2006-01-01

    carboxylic groups relative to competing COOH losses (45 Da) from neutral carboxylic groups. Loss of CO2 is a strong indication of the presence of a zwitterionic [(+)...(-)...(+)] salt bridge in the gas-phase polypeptide cation. This method provides a tool for studying, for example, the nature of binding...

  12. Measurements of solids concentration and axial solids velocity in gas-solid two-phase flows.

    NARCIS (Netherlands)

    Nieuwland, J.J.; Meijer, R.; Kuipers, J.A.M.; Swaaij, van W.P.M.

    1996-01-01

    Several techniques reported in the literature for measuring solids concentration and solids velocity in (dense) gas-solid two-phase flow have been briefly reviewed. An optical measuring system, based on detection of light reflected by the suspended particles, has been developed to measure local soli

  13. Imaging Molecular Structure through Femtosecond Photoelectron Diffraction on Aligned and Oriented Gas-Phase Molecules

    DEFF Research Database (Denmark)

    Boll, Rebecca; Rouzee, Arnaud; Adolph, Marcus

    2014-01-01

    This paper gives an account of our progress towards performing femtosecond time-resolved photoelectron diffraction on gas-phase molecules in a pump-probe setup combining optical lasers and an X-ray Free-Electron Laser. We present results of two experiments aimed at measuring photoelectron angular...

  14. ECO LOGIC INTERNATIONAL GAS-PHASE CHEMICAL REDUCTION PROCESS - THE THERMAL DESORPTION UNIT - APPLICATIONS ANALYSIS REPORT

    Science.gov (United States)

    ELI ECO Logic International, Inc.'s Thermal Desorption Unit (TDU) is specifically designed for use with Eco Logic's Gas Phase Chemical Reduction Process. The technology uses an externally heated bath of molten tin in a hydrogen atmosphere to desorb hazardous organic compounds fro...

  15. Supported Rh-phosphine complex catalysts for continuous gas-phase decarbonylation of aldehydes

    DEFF Research Database (Denmark)

    Malcho, Phillip; Garcia-Suarez, Eduardo J.; Mentzel, Uffe Vie;

    2014-01-01

    Heterogeneous silica supported rhodium-phosphine complex catalysts are employed for the first time in the catalytic decarbonylation of aldehydes in continuous gas-phase. The reaction protocol is exemplified for the decarbonylation of p-tolualdehyde to toluene and further extended to other aromatic...

  16. Planar gas chromatography column on aluminum plate with multi-walled carbon nanotubes as stationary phase

    Science.gov (United States)

    Platonov, I. A.; Platonov, V. I.; Pavelyev, V. S.

    2016-04-01

    The high selectivity of the adsorption layer for low-boiling alkanes is shown, the separation factor (α) couple iso-butane / butane is 1.9 at a column temperature of 50 °C.The paper presents sorption and selective properties of planar gas chromatography column on aluminum plate with multi-walled carbon nanotubes as the stationary phase.

  17. Experimental Gas-Phase Thermochemistry for Alkane Reductive Elimination from Pt(IV)

    NARCIS (Netherlands)

    Couzijn, Erik P. A.; Kobylianskii, Ilia J.; Moret, Marc-Etienne; Chen, Peter

    2014-01-01

    The gas-phase reactivity of the [(NN)(PtMe3)-Me-IV](+) (NN = alpha-diimine) complex 1 and its acetonitrile adduct has been investigated by tandem mass spectrometry. The only observed reaction from the octahedral d(6) complex 1 center dot MeCN is the simple dissociation of the coordinated solvent

  18. Structure analysis of large argon clusters from gas-phase electron diffraction data: some recent results

    NARCIS (Netherlands)

    Waal, van de B.W.

    1999-01-01

    An up-to-date overview of recent developments in the structure elucidation of large ArN-clusters (103gas-phase electron diffraction data, is given. Although a satisfactory model for N3000 had been found in 1996, the size range beyond N10,000 presents new and unexpected problems. T

  19. Reaction Kinetics of Ozonation of Trichloroethylene and Benzene in Gas and Liquid Phases

    Institute of Scientific and Technical Information of China (English)

    钟理; KuoChiane-Hai

    2000-01-01

    The kinetics of ozonation reactions of trichloroethylene (TCE) and benzene in gas and liquid phases at 101.3 kPa and 298 K was investigated in this paper. The ozonation of TCE is first order with respect to the ozone concentration and one and half order to TCE in the gas phase with the average rate constant 57.30 (mol·L-1 )-l.5·s-1,and the TCE ozonation in aqueous medium is first order with respect to both ozone and trichloroethylene with the average rate constant 6.30 (mol·L-1)-l·s-1. The ozonation of benzene in the gas phase is first order in ozone but independent of the benzene concentration with the average reaction rate constant 0.0011s-1. The overall kinetics of reaction between ozone and benzene in aqueous solution is found to be first order with one-half order in both ozone and bezene, with the average reaction rate constant 2.67s-1. It is found that the ozonation rate of pallutants is much quicker than that of self-decomposition of ozone in both gas and aqueous phase.

  20. Reaction Kinetics of Ozonation of Trichloroethylene and Benzene in Gas and Liquid Phase

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The kinetics of ozonation reactions oftrichloroethylene (TCE) and benzene in gas and liquid phases at101.3 kPa and 298 K was investigated in this paper. The ozonation ofTCE is first order with respect to the ozone concentration and one andhalf order to TCE in the gas phase with the average rate constant 57.30(mol*L-1)-1.5 *s-1, and the TCE ozonation inaqueous medium is first order with respect to both ozone andtrichloroethylene with the average rate constant 6.30(mol*L-1)-1 *s-1. The ozonation of benzene inthe gas phase is first order in ozone but independent of the benzeneconcentration with the average reaction rate constant 0.0011 s-1.The overall kinetics of reaction between ozone and benzene in aqueoussolution is found to be first order with one-half order in both ozoneand bezene, with the average reaction rate constant 2.67 s-1. Itis found that the ozonation rate of pallutants is much quicker than that ofself-decomposition of ozone in both gas and aqueous phase.

  1. Humidity independent mass spectrometry for gas phase chemical analysis via ambient proton transfer reaction.

    Science.gov (United States)

    Zhu, Hongying; Huang, Guangming

    2015-03-31

    In this work, a humidity independent mass spectrometric method was developed for rapid analysis of gas phase chemicals. This method is based upon ambient proton transfer reaction between gas phase chemicals and charged water droplets, in a reaction chamber with nearly saturate humidity under atmospheric pressure. The humidity independent nature enables direct and rapid analysis of raw gas phase samples, avoiding time- and sample-consuming sample pretreatments in conventional mass spectrometry methods to control sample humidity. Acetone, benzene, toluene, ethylbenzene and meta-xylene were used to evaluate the analytical performance of present method. The limits of detection for benzene, toluene, ethylbenzene and meta-xylene are in the range of ∼0.1 to ∼0.3 ppbV; that of benzene is well below the present European Union permissible exposure limit for benzene vapor (5 μg m(-3), ∼1.44 ppbV), with linear ranges of approximately two orders of magnitude. The majority of the homemade device contains a stainless steel tube as reaction chamber and an ultrasonic humidifier as the source of charged water droplets, which makes this cheap device easy to assemble and facile to operate. In addition, potential application of this method was illustrated by the real time identification of raw gas phase chemicals released from plants at different physiological stages.

  2. Bond-specific dissociation following excitation energy transfer for distance constraint determination in the gas phase.

    Science.gov (United States)

    Hendricks, Nathan G; Lareau, Nichole M; Stow, Sarah M; McLean, John A; Julian, Ryan R

    2014-09-24

    Herein, we report chemistry that enables excitation energy transfer (EET) to be accurately measured via action spectroscopy on gaseous ions in an ion trap. It is demonstrated that EET between tryptophan or tyrosine and a disulfide bond leads to excited state, homolytic fragmentation of the disulfide bond. This phenomenon exhibits a tight distance dependence, which is consistent with Dexter exchange transfer. The extent of fragmentation of the disulfide bond can be used to determine the distance between the chromophore and disulfide bond. The chemistry is well suited for the examination of protein structure in the gas phase because native amino acids can serve as the donor/acceptor moieties. Furthermore, both tyrosine and tryptophan exhibit unique action spectra, meaning that the identity of the donating chromophore can be easily determined in addition to the distance between donor/acceptor. Application of the method to the Trpcage miniprotein reveals distance constraints that are consistent with a native-like fold for the +2 charge state in the gas phase. This structure is stabilized by several salt bridges, which have also been observed to be important previously in proteins that retain native-like structures in the gas phase. The ability of this method to measure specific distance constraints, potentially at numerous positions if combined with site-directed mutagenesis, significantly enhances our ability to examine protein structure in the gas phase.

  3. Generation of naphthoquinone radical anions by electrospray ionization: solution, gas-phase, and computational chemistry studies.

    Science.gov (United States)

    Vessecchi, Ricardo; Naal, Zeki; Lopes, José N C; Galembeck, Sérgio E; Lopes, Norberto P

    2011-06-02

    Radical anions are present in several chemical processes, and understanding the reactivity of these species may be described by their thermodynamic properties. Over the last years, the formation of radical ions in the gas phase has been an important issue concerning electrospray ionization mass spectrometry studies. In this work, we report on the generation of radical anions of quinonoid compounds (Q) by electrospray ionization mass spectrometry. The balance between radical anion formation and the deprotonated molecule is also analyzed by influence of the experimental parameters (gas-phase acidity, electron affinity, and reduction potential) and solvent system employed. The gas-phase parameters for formation of radical species and deprotonated species were achieved on the basis of computational thermochemistry. The solution effects on the formation of radical anion (Q(•-)) and dianion (Q(2-)) were evaluated on the basis of cyclic voltammetry analysis and the reduction potentials compared with calculated electron affinities. The occurrence of unexpected ions [Q+15](-) was described as being a reaction between the solvent system and the radical anion, Q(•-). The gas-phase chemistry of the electrosprayed radical anions was obtained by collisional-induced dissociation and compared to the relative energy calculations. These results are important for understanding the formation and reactivity of radical anions and to establish their correlation with the reducing properties by electrospray ionization analyses.

  4. Why do disk galaxies present a common gas-phase metallicity gradient?

    Science.gov (United States)

    Chang, R.; Zhang, Shuhui; Shen, Shiyin; Yin, Jun; Hou, Jinliang

    2017-03-01

    CALIFA data show that isolated disk galaxies present a common gas-phase metallicity gradient, with a characteristic slope of -0.1dex/re between 0.3 and 2 disk effective radius re (Sanchez et al. 2014). Here we construct a simple model to investigate which processes regulate the formation and evolution.

  5. Alteration of gas phase ion polarizabilities upon hydration in high dielectric liquids.

    Science.gov (United States)

    Buyukdagli, Sahin; Ala-Nissila, T

    2013-07-28

    We investigate the modification of gas phase ion polarizabilities upon solvation in polar solvents and ionic liquids. To this aim, we develop a classical electrostatic theory of charged liquids composed of solvent molecules modeled as finite size dipoles, and embedding polarizable ions that consist of Drude oscillators. In qualitative agreement with ab initio calculations of polar solvents and ionic liquids, the hydration energy of a polarizable ion in both types of dielectric liquid is shown to favor the expansion of its electronic cloud. Namely, the ion carrying no dipole moment in the gas phase acquires a dipole moment in the liquid environment, but its electron cloud also reaches an enhanced rigidity. We find that the overall effect is an increase of the gas phase polarizability upon hydration. In the specific case of ionic liquids, it is shown that this hydration process is driven by a collective solvation mechanism where the dipole moment of a polarizable ion induced by its interaction with surrounding ions self-consistently adds to the polarization of the liquid, thereby amplifying the dielectric permittivity of the medium in a substantial way. We propose this self-consistent hydration as the underlying mechanism behind the high dielectric permittivities of ionic liquids composed of small charges with negligible gas phase dipole moment. Hydration being a correlation effect, the emerging picture indicates that electrostatic correlations cannot be neglected in polarizable liquids.

  6. Catalyst for the carboxylation of carbonylated compounds in the gas phase

    DEFF Research Database (Denmark)

    2013-01-01

    The invention relates to a catalyst for the carboxylation of carbonylated compounds in the gas phase. Said catalyst consists of a metal complex which is active when the carboxylation is under reaction conditions and an organic salt, which is solid under normal conditions and liquid under reaction...

  7. Numerical modeling of gas-phase kinetics in formation of secondary aerosol

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Three basic modules of gas-phase photochemical reactions involved in the formation of secondary aerosol are developed for modeling the concentration variation of precursors of aerosol, including ketone (RCOx), aldehyde (ALD), peroxyacetylnitrate (PAN), NO2, and SO2, followed by numerical solution for each of the modules. Reasonable trends of concentration variation of the precursors can be obtained from the proposed modules.

  8. Multi-scale symbolic time reverse analysis of gas-liquid two-phase flow structures

    Science.gov (United States)

    Wang, Hongmei; Zhai, Lusheng; Jin, Ningde; Wang, Youchen

    Gas-liquid two-phase flows are widely encountered in production processes of petroleum and chemical industry. Understanding the dynamic characteristics of multi-scale gas-liquid two-phase flow structures is of great significance for the optimization of production process and the measurement of flow parameters. In this paper, we propose a method of multi-scale symbolic time reverse (MSTR) analysis for gas-liquid two-phase flows. First, through extracting four time reverse asymmetry measures (TRAMs), i.e. Euclidean distance, difference entropy, percentage of constant words and percentage of reversible words, the time reverse asymmetry (TRA) behaviors of typical nonlinear systems are investigated from the perspective of multi-scale analysis, and the results show that the TRAMs are sensitive to the changing of dynamic characteristics underlying the complex nonlinear systems. Then, the MSTR analysis is used to study the conductance signals from gas-liquid two-phase flows. It is found that the multi-scale TRA analysis can effectively reveal the multi-scale structure characteristics and nonlinear evolution properties of the flow structures.

  9. Gas-phase conformations of small polyprolines and their fragment ions by IRMPD spectroscopy

    NARCIS (Netherlands)

    Martens, J.K.; Grzetic, J.; Berden, G.; Oomens, J.

    2015-01-01

    Infrared multiple-photon dissociation (IRMPD) spectroscopy has been used to examine the gas-phase conformations of a series of short protonated polyproline ions (Pro(3)-Pro(6)), their CID/IRMPD fragmentation pathways, and the associated fragment identities. Consistent with previous findings, and in

  10. Electrocatalytic phenomena in gas phase reactions in solid electrolyte electrochemical cells

    NARCIS (Netherlands)

    Gellings, P.J.; Koopmans, H.J.A.; Burggraaf, A.J.

    1988-01-01

    The recent literature on electrocatalysis and electrocatalytic phenomena occurring in gas phase reactions on solid, oxygen conducting electrolytes is reviewed. In this field there are a number of different subjects which are treated separately. These are: the use of electrochemical methods to study

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

    CERN Document Server

    Balucani, Nadia; Taquet, Vianney

    2015-01-01

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

  12. Gas-Phase Oxidation of Aqueous Ethanol by Nanoparticle Vanadia/Anatase Catalysts

    DEFF Research Database (Denmark)

    Jørgensen, Betina; Kristensen, Steffen Buus; Kunov-Kruse, Andreas Jonas

    2009-01-01

    The gas-phase oxidation of aqueous ethanol with dioxygen has been examined with a new nanoparticle V2O5/TiO2 catalyst. Product selectivity could to a large extent be controlled by small alterations of reaction parameters, allowing production of acetaldehyde at a selectivity higher than 90%, near...

  13. Molecular Ro-vibrational Collision Rates for Infrared Modeling of Warm Interstellar Gas from Full-dimensional Quantum Calculations

    Science.gov (United States)

    Stancil, Phillip

    We propose to compute accurate collisional excitation rate coefficients for rovibrational transitions of CS, SiO, SO, NO, H_2O, and HCN due to H_2, He, or H impact. This extends our previous grant which focused on 3- and 4-atom systems to 4- and 5-atom collision complexes, with dynamics to be performed on 6-9 dimensional potential energy surfaces (PESs). This work, which uses fully quantum mechanical methods for inelastic scattering and incorporates full-dimensional PESs, pushes beyond the state-of-the-art for such calculations, as recently established by our group for rovibrational transitions in CO-H_2 in 6D. Many of the required PESs will be computed as part of this project using ab initio theory and basis sets of the highest level feasible and particular attention will be given to the long range form of the PESs. The completion of the project will result in 6 new global PESs and state-to-state rate coefficients for a large range of initial rovibrational levels for temperatures between 1 and 3000 K. The chosen collision systems correspond to cases where data are limited or lacking, are important coolants or diagnostics, and result in observable emission features in the infrared (IR). The final project results will be important for the analysis of a variety of interstellar and extragalactic environments in which the local conditions of gas density, radiation field, and/or shocks drive the level populations out of equilibrium. In such cases, collisional excitation data are critical to the accurate prediction and interpretation of observed molecular IR emission lines in protoplanetary disks, star-forming regions, planetary nebulae, embedded protostars, photodissociation regions, etc. The use of the proposed collisional excitation data will lead to deeper examination and understanding of the properties of many astrophysical environments, hence elevating the scientific return from the upcoming JWST, as well as from current (SOFIA, Herschel, HST) and past IR missions

  14. Microfluidic generation of uniform water droplets using gas as the continuous phase.

    Science.gov (United States)

    Jiang, Kunqiang; Lu, Annie Xi; Dimitrakopoulos, Panagiotis; DeVoe, Don L; Raghavan, Srinivasa R

    2015-06-15

    Microfluidic schemes for forming uniform aqueous microdroplets usually rely on contacting the aqueous liquid (dispersed phase) with an immiscible oil (continuous phase). Here, we demonstrate that the oil can be substituted with gas (nitrogen or air) while still retaining the ability to generate discrete and uniform aqueous droplets. Our device is a capillary co-flow system, with the inner flow of water getting periodically dispersed into droplets by the external flow of gas. The droplet size and different formation modes can be tuned by varying the liquid and gas flow rates. Importantly, we identify the range of conditions that correspond to the "dripping mode", i.e., where discrete droplets are consistently generated with no satellites. We believe this is a significant development that will be beneficial for chemical and biological applications requiring clean and contaminant-free droplets, including DNA amplification, drug encapsulation, and microfluidic cell culture.

  15. (129) Xe and (131) Xe nuclear magnetic dipole moments from gas phase NMR spectra.

    Science.gov (United States)

    Makulski, Włodzimierz

    2015-04-01

    (3) He, (129) Xe and (131) Xe NMR measurements of resonance frequencies in the magnetic field B0=11.7586 T in different gas phase mixtures have been reported. Precise radiofrequency values were extrapolated to the zero gas pressure limit. These results combined with new quantum chemical values of helium and xenon nuclear magnetic shielding constants were used to determine new accurate nuclear magnetic moments of (129) Xe and (131) Xe in terms of that of the (3) He nucleus. They are as follows: μ((129) Xe) = -0.7779607(158)μN and μ((131) Xe) = +0.6918451(70)μN . By this means, the new 'helium method' for estimations of nuclear dipole moments was successfully tested. Gas phase NMR spectra demonstrate the weak intermolecular interactions observed on the (3) He and (129) Xe and (131) Xe shielding in the gaseous mixtures with Xe, CO2 and SF6 .

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

    Science.gov (United States)

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

    1991-01-01

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

  17. Are ionic liquids pairwise in gas phase? A cluster approach and in situ IR study.

    Science.gov (United States)

    Dong, Kun; Zhao, Lidong; Wang, Qian; Song, Yuting; Zhang, Suojiang

    2013-04-28

    In this work, we discussed the vaporization and gas species of ionic liquids (ILs) by a cluster approach of quantum statistical thermodynamics proposed by R. Luwig (Phys. Chem. Chem. Phys., 10, 4333), which is a controversial issue up to date. Based on the different sized clusters (2-12 ion-pairs) of the condensed phase, the molar enthalpies of vaporization (ΔvapH, 298.15 K, 1bar) of four representative ILs, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([Emim][NTf2]) 1-ethyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide ([Emmim][NTf2]) 1-ethyl-3-methylimidazolium chloride ([Emim]Cl) and ethylammonium nitrate ([EtAm][NO3]), were calculated. The predicted ΔvapH were increased remarkably; even the values of [EtAm][NO3] were larger than 700 kJ mol(-1) when the charged isolated ions were assumed to be gas species. However, the ΔvapH were close to experimental measurements when the gas species assumed to be anion-cation pairwise, indicating that the different conformational ion-pairs can coexist in the gas phase when the IL is evaporated. Particularly for the protic IL, [EtAm][NO3], even the neutral precursor molecules by proton transfer can occur in gas phase. In addition, it's found that the effect of hydrogen bonds on the vaporization cannot be negligible by comparing the ΔvapH of [Emim][NTf2] with [Emmim][NTf2]. The in situ and calculated IR spectra provided the further proof that the ions are pairwise in gas phase.

  18. Highly selective ethylbenzene production through alkylation of dilute ethylene with gas phase-liquid phase benzene and transalkylation feed

    Institute of Scientific and Technical Information of China (English)

    Shenglin Liu; Fucun Chen; Sujuan Xie; Peng Zeng; Xiyan Du; Longya Xu

    2009-01-01

    A novel industrial process was designed for the highly selective production of ethylbenzene.It comprised of a reactor vessel,vapor phase ethylene feed stream,benzene and transalkylation feed stream.Especially the product stream containing ethylbenzene was used to heat the reactor vessel,which consisted of an alkylation section,an upper heat exchange section,and a bottom heat exchange section.In such a novel reactor,vapor phase benzene and liquid phase benzene were coexisted due to the heat produced by isothermal reaction between the upper heat exchange section and the bottom heat exchange section.The process was demonstrated by the thermodynamic analysis and experimental results.In fact,during the 1010 hour-life-test of gas phase ethene with gas phase-liquid phase benzene alkylation reaction,the ethene conversion was above 95%,and the ethylbenzene selectivity was above 83% (only benzene feed) and even higher than 99% (benzene plus transalkylation feed).At the same time,the xylene content in the ethylbenzene was less than 100 ppm when the reaction was carried out under the reaction conditions of 140-185℃ of temperature,1.6-2.1 MPa of pressure,3.0-5.5 of benzene/ethylene mole ratio,4-6 v% of transalkylation feed/(benzene+transalkylation feed),0.19-0.27 h-1 of ethene space velocity,and 1000 g of 3998 catalyst loaded.Thus,compared with the conventional ethylbenzene synthesis route,the transalkylation reactor could be omitted in this novel Industrial process.

  19. Density-functional theory of a lattice-gas model with vapour, liquid, and solid phases

    OpenAIRE

    Prestipino, S.; Giaquinta, P. V.

    2003-01-01

    We use the classical version of the density-functional theory in the weighted-density approximation to build up the entire phase diagram and the interface structure of a two-dimensional lattice-gas model which is known, from previous studies, to possess three stable phases -- solid, liquid, and vapour. Following the common practice, the attractive part of the potential is treated in a mean-field-like fashion, although with different prescriptions for the solid and the fluid phases. It turns o...

  20. Comparative simulation study of gas-phase propylene polymerization in fluidized bed reactors using aspen polymers and two phase models

    Directory of Open Access Journals (Sweden)

    Shamiria Ahmad

    2013-01-01

    Full Text Available A comparative study describing gas-phase propylene polymerization in fluidized-bed reactors using Ziegler-Natta catalyst is presented. The reactor behavior was explained using a two-phase model (which is based on principles of fluidization as well as simulation using the Aspen Polymers process simulator. The two-phase reactor model accounts for the emulsion and bubble phases which contain different portions of catalysts with the polymerization occurring in both phases. Both models predict production rate, molecular weight, polydispersity index (PDI and melt flow index (MFI of the polymer. We used both models to investigate the effect of important polymerization parameters, namely catalyst feed rate and hydrogen concentration, on the product polypropylene properties, such as production rate, molecular weight, PDI and MFI. Both the two-phase model and Aspen Polymers simulator showed good agreement in terms of production rate. However, the models differed in their predictions for weight-average molecular weight, PDI and MFI. Based on these results, we propose incorporating the missing hydrodynamic effects into Aspen Polymers to provide a more realistic understanding of the phenomena encountered in fluidized bed reactors for polyolefin production.

  1. Computational model and simulations of gas-liquid-solid three-phase interactions

    Science.gov (United States)

    Zhang, Lucy; Wang, Chu

    2013-11-01

    A computational technique to model three-phase (gas-liquid-solid) interactions is proposed in this study. This numerical algorithm couples a connectivity-free front-tracking method that treats gas-liquid multi-fluid interface to the immersed finite element method that treats fully-coupled fluid-solid interactions. The numerical framework is based on a non-boundary-fitted meshing technique where the background grid is fixed where no mesh-updating or re-meshing is required. An indicator function is used to identify the gas from the liquid, and the fluid (gas or liquid) from the solid. Several 2-D and 3-D validation cases are demonstrated to show the accuracy and the robustness of the method. Funding from NRC and CCNI computational facility at Rensselaer Polytechnic Institute are greatly acknowledged.

  2. Ab initio study of gas phase and water-assisted tautomerization of maleimide and formamide

    Indian Academy of Sciences (India)

    Susheel Kalia; Anju Sharma; B S Kaith

    2007-11-01

    Maleimide serves as an important starting material in the synthesis of drugs and enzyme inhibitors. In the present paper, knowing the importance of tautomerization in maleimide for its drug action, potential energy surface of maleimide is studied and its tautomerization has been discussed and compared with tautomerization of formamide. Gas phase tautomerization of maleimide requires large amount of energy (23.21 kcal/mol) in comparison to formamide (15.05 kcal/mol) at HF/6-31+G* level. Thus making the proton transfer reaction a difficult process in gas phase. Water molecule lowers the energy barrier of tautomerization thus facilitating the tautomerization of maleimide to 5-hydroxy-pyrrol-2-one. Water assisted tautomerization of maleimide requires 19.60 kcal/mol energy at HF/6-31+G* and 17.63 kcal/mol energy at B3LYP/6-31+G* level, a decrease of 3.61 and 5.96 kcal/mol over gas phase tautomerization. Whereas, tautomerization of formamide requires 14.16 and 12.84 kcal/mol energy, a decrease of 0.89 and 2.01 kcal/mol energy over gas phase tautomerization at HF/6-31+G* and B3LYP/6-31+G* level, respectively. Water-assisted tautomerization in maleimide and formamide showed that difference in energy barrier reduces to 2.83 kcal/mol from 10.41 kcal/mol (in gas phase) at B3LYP level, which resulted that maleimide readily undergoes tautomerization in water molecule.

  3. Gas-phase metalloprotein complexes interrogated by ion mobility-mass spectrometry

    Science.gov (United States)

    Faull, Peter A.; Korkeila, Karoliina E.; Kalapothakis, Jason M.; Gray, Andrew; McCullough, Bryan J.; Barran, Perdita E.

    2009-06-01

    Gas-phase biomolecular structure may be explored through a number of analytical techniques. Ion mobility-mass spectrometry (IM-MS) continues to prove itself as a sensitive and reliable bioanalytical tool for gas-phase structure determination due to intense study and development over the past 15 years. A vast amount of research interest, especially in protein and peptide conformational studies has generated a wealth of structural information for biological systems from small peptides to megadalton-sized biomolecules. In this work, linear low field IM-MS has been used to study gas-phase conformations and determine rotationally averaged collision cross-sections of three metalloproteins--cytochrome c, haemoglobin and calmodulin. Measurements have been performed on the MoQToF, a modified QToF 1 instrument (Micromass UK Ltd., Manchester, UK) modified in house. Gas-phase conformations and cross-sections of multimeric cytochrome c ions of the form [xM + nH+]n+ for x = 1-3 (monomer to trimer) have been successfully characterised and measured. We believe these to be the first reported collision cross-sections of higher order multimeric cytochrome c. Haemoglobin is investigated to obtain structural information on the associative mechanism of tetramer formation. Haemoglobin molecules, comprising apo- and holo-monomer chains, dimer and tetramer are transferred to the gas phase under a range of solution conditions. Structural information on the proposed critical intermediate, semi-haemoglobin, is reported. Cross-sections of the calcium binding protein calmodulin have been obtained under a range of calcium-bound conditions. Metalloprotein collision cross-sections from ion mobility measurements are compared with computationally derived values from published NMR and X-ray crystallography structural data. Finally we consider the change in the density of the experimentally measured rotationally averaged collision cross-section for compact geometries of the electrosprayed proteins.

  4. Visualization and research of gas-liquid two phase flow structures in cylindrical channel

    Directory of Open Access Journals (Sweden)

    Stefański Sebastian

    2017-01-01

    Full Text Available Two-phase flows are commonly found in many industries, especially in systems, where efficient and correct functioning depend on specific values of flow parameters. In thermal engineering and chemical technology the most popular types of two-phase mixture are gas-liquid or liquid-vapour mixtures. Bubbles can create in flow different structures and determine diverse properties of flow (velocity of phase, void fraction, fluctuations of pressure, pipe vibrations, etc.. That type of flow is difficult to observe, especially in liquid-vapour mixture, where vapour is being made by heating the medium. Production of vapour and nucleation process are very complicated issues, which are important part of two-phase flow phenomenon. Gas-liquid flow structures were observed and described with figures, but type of structure depends on many parameters. Authors of this paper made an attempt to simulate gas-liquid flow with air and water. In the paper there was presented specific test stand built to observe two-phase flow structures, methodology of experiment and conditions which were maintained during observation. The paper presents also the structures which were observed and the analysis of results with reference to theoretical models and diagrams available in literature.

  5. Shadow imaging in bubbly gas-liquid two-phase flow in porous structures

    Science.gov (United States)

    Altheimer, Marco; Häfeli, Richard; Wälchli, Carmen; Rudolf von Rohr, Philipp

    2015-09-01

    Shadow imaging is used for the investigation of bubbly gas-liquid two-phase flow in a porous structure. The porous structure is made of Somos WaterShed XC 11122, a clear epoxy resin used in rapid prototyping. Optical access is provided by using an aqueous solution of sodium iodide and zinc iodide having the same refractive index as the structure material (). Nitrogen is injected into the continuous phase at volumetric transport fractions in the range of resulting in a hold-up of . The obtained images of overlapping bubble shadows are processed to measure the bubble dimensions. Therefore, a new processing sequence is developed to determine bubble dimensions from overlapping bubble shadows by ellipse fitting. The accuracy of the bubble detection and sizing routine is assessed processing synthetic images. It is shown that the developed technique is suitable for volumetric two-phase flow measurements. Important global quantities such as gas hold-up and total interfacial area can be measured with only one camera. Operation parameters for gas-liquid two-phase flows are determined to improve mass and heat transfer between the phases.

  6. Effect of duty-cycles on the air plasma gas-phase of dielectric barrier discharges

    Science.gov (United States)

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

    2015-10-01

    An experimental investigation concerning the effects of a duty-cycle in the supply of a dielectric barrier discharge in atmospheric pressure air has been performed. Electrical characteristics of the discharge have been measured, focusing mainly on the statistical properties of the current filaments and on dielectric surface charging, both affected by the frequent repetition of breakdown imposed by the duty-cycle. Information on the gas-phase composition was gathered too. In particular, a strong enhancement in the ozone formation rate is observed when suitable long pauses separate the active discharge phases. A simulation of the chemical kinetics in the gas-phase, based on a simplified discharge modeling, is briefly described in order to shed light on the observed increase in ozone production. The effect of a duty-cycle on surface modification of polymeric films in order to increase their wettability has been investigated too.

  7. Computer code for gas-liquid two-phase vortex motions: GLVM

    Science.gov (United States)

    Yeh, T. T.

    1986-01-01

    A computer program aimed at the phase separation between gas and liquid at zero gravity, induced by vortex motion, is developed. It utilizes an explicit solution method for a set of equations describing rotating gas-liquid flows. The vortex motion is established by a tangential fluid injection. A Lax-Wendroff two-step (McCormack's) numerical scheme is used. The program can be used to study the fluid dynamical behavior of the rotational two-phase fluids in a cylindrical tank. It provides a quick/easy sensitivity test on various parameters and thus provides the guidance for the design and use of actual physical systems for handling two-phase fluids.

  8. OPTIMIZATION DESIGN OF GAS-PARTICLE TWO-PHASE AXIAL-FLOW FAN

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Based on the shaping theory of writhed blade in streamline design, the geometric shape of blade is designed and then computational formulas for the dynamic design of fan with writhed the blades in gas-particle two-phase axial-flow are derived with the two-phase continuum coupling model. Concurrently, the correlation between the structure of impeller and flow-field dynamic functional parameters is presented. Further, the software for the optimization design of gas-particle two-phase axial-flow fan with writhed blades is obtained. By means of the available software, a sample fan is formed with its all dynamic characteristic curves and geometric shape. Finally, the conclusion on the effect of particles on fan running is reached, quantitatively and qualitatively, as is expected in the fan industry.

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

    Science.gov (United States)

    Wei, Wenjuan; Mandin, Corinne; Blanchard, Olivier; Mercier, Fabien; Pelletier, Maud; Le Bot, Barbara; Glorennec, Philippe; Ramalho, Olivier

    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.

  10. 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.

  11. Gas-phase and particle-phase PCDD/F congener distributions in the flue gas from an iron ore sintering plant.

    Science.gov (United States)

    Liu, Xiaolong; Ye, Meng; Wang, Xue; Liu, Wen; Zhu, Tingyu

    2017-04-01

    The activated carbon injection-circulating fluidized bed (ACI-CFB)-bag filter coupling technique was studied in an iron ore sintering plant. For comparison, the removal efficiencies under the conditions without or with ACI technology were both evaluated. It was found that the polychlorinated dibenzo-p-dioxins and dibenzofuran (PCDD/F) removal efficiency for total international toxic equivalence quantity (I-TEQ) concentration was improved from 91.61% to 97.36% when ACI was employed, revealing that ACI was very conducive to further controlling the PCDD/F emissions. Detailed congener distributions of PCDD/Fs in the gas-phase and particle-phase of the Inlet and Outlet samples were determined. Additionally, the PCDD/F distribution for the Fly ash-with ACI sample of was also studied. Copyright © 2016. Published by Elsevier B.V.

  12. A generalized expression for lag-time in the gas-phase permeation of hollow tubes

    Science.gov (United States)

    Shah, K. K.; Nelson, H. G.; Johnson, D. L.; Hamaker, F. M.

    1975-01-01

    A generalized expression for the nonsteady-state parameter, lag-time, has been obtained from Fick's second law for gas-phase transport through hollow, cylindrical membranes. This generalized expression is simplified for three limiting cases of practical interest: (1) diffusion controlled transport, (2) phase boundary reaction control at the inlet surface, and (3) phase boundary reaction control at the outlet surface. In all three cases the lag-time expressions were found to be inversely proportional only to the diffusion coefficient and functionally dependent on the membrane radii. Finally, the lag-time expressions were applied to experimentally obtained lag-time data for alpha-phase titanium and alpha-phase iron.

  13. Use of ionic liquids as stationary phases in hyphenated gas chromatography techniques.

    Science.gov (United States)

    Ragonese, Carla; Sciarrone, Danilo; Tranchida, Peter Quinto; Dugo, Paola; Mondello, Luigi

    2012-09-14

    In the past decades a consistent number of ionic liquids have been specifically synthesized and evaluated as stationary phase in gas chromatography. Ionic liquid, also defined as "molten salts", are a class of organic non-molecular solvents liquid at room temperature (RTILs) that satisfy most of the requirements of a GC stationary phase, among which a high viscosity, the possibility to tune the selectivity (by changing the cation-anion combination) and a high thermal stability. The choice of the proper stationary phase plays a key role in the improvement/optimization of a GC method, and although the use of IL as stationary phases is still not well-established, the general interest in their applications has greatly increased, thanks to their particular properties. The present contribution provides an overview on recent evaluations and applications of IL stationary phases, focusing in particular on the use of these novel tools in hyphenated GC-based techniques.

  14. The role of gas phase reactions in the deflagration-to-detonation transition of high energy propellants

    Science.gov (United States)

    Boggs, T. L.; Price, C. F.; Atwood, A. I.; Zurn, D. E.; Eisel, J. L.; Derr, R. L.

    1980-01-01

    The inadequacies of the two commonly used assumptions are shown, along with the need for considering gas phase reactions. Kinetic parameters that describe the gas phase reactions for several ingredients are provided, and the first steps in convective combustion leading to deflagration to detonation transition are described.

  15. Toward industrial scale synthesis of ultrapure singlet nanoparticles with controllable sizes in a continuous gas-phase process

    NARCIS (Netherlands)

    Feng, J.; Biskos, G.; Schmidt-Ott, A.

    2015-01-01

    Continuous gas-phase synthesis of nanoparticles is associated with rapid agglomeration, which can be a limiting factor for numerous applications. In this report, we challenge this paradigm by providing experimental evidence to support that gas-phase methods can be used to produce ultrapure nonagglom

  16. Chemical deposition from gas phase of the hetero and nanostructures of III–V compounds

    Directory of Open Access Journals (Sweden)

    Voronin V. A.

    2008-10-01

    Full Text Available This is a report of experimental result in-situ metod UV-Spectroscopy on the gas phase composition in the source region GaAs, GaP, In, Ga, In/Ga of gas-flov reactor. The kinetics of individual reactions was determined for a wide range of flow rates and temperatures. The received experimental data were used to analyze the epilayers deposition of GaAs:Bi, GaAs1–хPх, In1–хGaхAs, InхGa1–хAsуP1–у, by the low temperature Isothermal Vapor Phase Epitaxy (I-VPE method. The analysis of processes taking place in a zone of a source is necessary to understand the influence of such technological parameters as temperature, gas flow rate of the carrier, entering concentrations of components on composition and formation rate of supersaturated gas phase the low temperature growth getero nanostruction GaAs, GaAs1–хPх, In1–хGaхAs, InхGa1–хAsуP1–у.

  17. 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.

  18. Graphene quantum dots modified silicon nanowire array for ultrasensitive detection in the gas phase

    Science.gov (United States)

    Li, T. Y.; Duan, C. Y.; Zhu, Y. X.; Chen, Y. F.; Wang, Y.

    2017-03-01

    Si nanostructure-based gas detectors have attracted much attention due to their huge surface areas, relatively high carrier mobility, maneuverability for surface functionalization and compatibility to modern electronic industry. However, the unstable surface of Si, especially for the nanostructures in a corrosive atmosphere, hinders their sensitivity and reproducibility when used for detection in the gas phase. In this study, we proposed a novel strategy to fabricate a Si-based gas detector by using the vertically aligned Si nanowire (SiNW) array as a skeleton and platform, and decorated chemically inert graphene quantum dots (GQDs) to protect the SiNWs from oxidation and promote the carriers’ interaction with the analytes. The radial core–shell structures of the GQDs/SiNW array were then assembled into a resistor-based gas detection system and evaluated by using nitrogen dioxide (NO2) as the model analyte. Compared to the bare SiNW array, our novel sensor exhibited ultrahigh sensitivity for detecting trace amounts of NO2 with the concentration as low as 10 ppm in room temperature and an immensely reduced recovery time, which is of significant importance for their practical application. Meanwhile, strikingly, reproducibility and stability could also be achieved by showing no sensitivity decline after storing the GQDs/SiNW array in air for two weeks. Our results demonstrate that protecting the surface of the SiNW array with chemically inert GQDs is a feasible strategy to realize ultrasensitive detection in the gas phase.

  19. Study of the gas content in two-phase downflow in a sieve-plate column

    Energy Technology Data Exchange (ETDEWEB)

    Utkin, V.A.; Chekhov, O.S.; Stepanov, A.M.

    1986-04-10

    This paper presents a thorough study of the gas content in two-phase downflow in a column sectioned by sieve plates. The air-water system was used in the experiments and the mass flow rates of the gas and liquid in the column were varied in the ranges of 0.5-10 and 200-900 kg m/sup -2/.sec/sup -1/, respectively. The gas content of the stream was determined by gamma radioscopy. A scintilalation counter was used as the gamma-radiation detector. Determination of the gas content over the height of the apparatus showed that the flow structure is formed immediately after the first plate and then remains constant. The influence of the viscosity of the liquid on the gas content of the stream was studied with the use of plates of 40.5% open cross section. Statistical analysis of the experimental data revealed the existence of two patterns of two-phase flow in the apparatus.

  20. LIQUID PHASE FLOW ESTIMATION IN GAS-LIQUID TWO-PHASE FLOW USING INVERSE ANALYSIS AND PARTICLE TRACKING VELOCIMETRY

    Institute of Scientific and Technical Information of China (English)

    CHENG Wen; MURAI Yuichi; SASAKI Toshio; YAMAMOTO Fujio

    2004-01-01

    An inverse analysis algorithm is proposed for estimating liquid phase flow field from measurement data of bubble motion. This kind of technology will be applied in future for various estimation of fluid flow in rivers, lakes, sea surface flow, and also microscopic channel flow as the problem-handling in civil, mechanical, electronic, and chemical engineering. The relationship between the dispersion motion and the carrier phase flow is governed and expressed by the translational motion equation of spherical dispersion. The equation consists of all the force components including inertia, added inertia, drag, lift, pressure gradient force and gravity force. Using this equation enables us to estimate the carrier phase flow structure using only the data of the dispersion motion. Whole field liquid flow structure is also estimated using spatial or temporal interpolation method. In order to verify this principle, the Taylor-Green vortex flow, and the Karman vortex shedding from a square cylinder have been chosen. The results show that the combination of the inverse analysis and Particle Tracking Velocimetry (PTV) with the spatio-temporal post-processing algorithm could reconstruct well the carrier phase flow of the gas-liquid two-phase flow.

  1. Ultra resolution chemical fingerprinting of dense non-aqueous phase liquids from manufactured gas plants by reversed phase comprehensive two-dimensional gas chromatography.

    Science.gov (United States)

    McGregor, Laura A; Gauchotte-Lindsay, Caroline; Daéid, Niamh Nic; Thomas, Russell; Daly, Paddy; Kalin, Robert M

    2011-07-22

    Ultra resolution chemical fingerprinting of dense non-aqueous phase liquids (DNAPLs) from former manufactured gas plants (FMGPs) was investigated using comprehensive two-dimensional gas chromatography coupled with time of flight mass spectrometry (GC×GC TOFMS). Reversed phase GC×GC (i.e. a polar primary column coupled to a non-polar secondary column) was found to significantly improve the separation of polycyclic aromatic hydrocarbons (PAHs) and their alkylated homologues. Sample extraction and cleanup was performed simultaneously using accelerated solvent extraction (ASE), with recovery rates between 76% and 97%, allowing fast, efficient extraction with minimal solvent consumption. Principal component analysis (PCA) of the GC×GC data was performed in an attempt to differentiate between twelve DNAPLs based on their chemical composition. Correlations were discovered between DNAPL composition and historic manufacturing processes used at different FMGP sites. Traditional chemical fingerprinting methods generally follow a tiered approach with sample analysis on several different instruments. We propose ultra resolution chemical fingerprinting as a fast, accurate and precise method of obtaining more chemical information than traditional tiered approaches while using only a single analytical technique.

  2. DYNAMIC MODELING STRATEGY FOR FLOW REGIME TRANSITION IN GAS-LIQUID TWO-PHASE FLOWS

    Energy Technology Data Exchange (ETDEWEB)

    X. Wang; X. Sun; H. Zhao

    2011-09-01

    In modeling gas-liquid two-phase flows, the concept of flow regime has been used to characterize the global interfacial structure of the flows. Nearly all constitutive relations that provide closures to the interfacial transfers in two-phase flow models, such as the two-fluid model, are often flow regime dependent. Currently, the determination of the flow regimes is primarily based on flow regime maps or transition criteria, which are developed for steady-state, fully-developed flows and widely applied in nuclear reactor system safety analysis codes, such as RELAP5. As two-phase flows are observed to be dynamic in nature (fully-developed two-phase flows generally do not exist in real applications), it is of importance to model the flow regime transition dynamically for more accurate predictions of two-phase flows. The present work aims to develop a dynamic modeling strategy for determining flow regimes in gas-liquid two-phase flows through the introduction of interfacial area transport equations (IATEs) within the framework of a two-fluid model. The IATE is a transport equation that models the interfacial area concentration by considering the creation and destruction of the interfacial area, such as the fluid particle (bubble or liquid droplet) disintegration, boiling and evaporation; and fluid particle coalescence and condensation, respectively. For the flow regimes beyond bubbly flows, a two-group IATE has been proposed, in which bubbles are divided into two groups based on their size and shape (which are correlated), namely small bubbles and large bubbles. A preliminary approach to dynamically identifying the flow regimes is provided, in which discriminators are based on the predicted information, such as the void fraction and interfacial area concentration of small bubble and large bubble groups. This method is expected to be applied to computer codes to improve their predictive capabilities of gas-liquid two-phase flows, in particular for the applications in

  3. Design and Development of Gas-Liquid Cylindrical Cyclone Compact Separators for Three-Phase Flow

    Energy Technology Data Exchange (ETDEWEB)

    Mohan, R.S.; Shoham, O.

    2001-01-10

    The objective of this five-year project (October 1997--September 2002) was to expand the current research activities of Tulsa University Separation Technology Projects (TUSTP) to multiphase oil/water/gas separation. This project was executed in two phases. Phase I (1997--2000) focused on the investigations of the complex multiphase hydrodynamic flow behavior in a three-phase Gas-Liquid Cylindrical Cyclone (GLCC) Separator. The activities of this phase included the development of a mechanistic model, a computational fluid dynamics (CFD) simulator, and detailed experimentation on the three-phase GLCC. The experimental and CFD simulation results will be suitably integrated with the mechanistic model. In Phase II (2000--2002), the developed GLCC separator will be tested under high pressure and real crude conditions. This is crucial for validating the GLCC design for field application and facilitating easy and rapid technology deployment. Design criteria for industrial applications will be developed based on these results and will be incorporated into the mechanistic model by TUSTP.

  4. Liquid-gas phase transition in strange hadronic matter with relativistic models

    Science.gov (United States)

    Torres, James R.; Gulminelli, F.; Menezes, Débora P.

    2016-02-01

    Background: The advent of new dedicated experimental programs on hyperon physics is rapidly boosting the field, and the possibility of synthesizing multiple strange hypernuclei requires the addition of the strangeness degree of freedom to the models dedicated to nuclear structure and nuclear matter studies at low energy. Purpose: We want to settle the influence of strangeness on the nuclear liquid-gas phase transition. Because of the large uncertainties concerning the hyperon sector, we do not aim at a quantitative estimation of the phase diagram but rather at a qualitative description of the phenomenology, as model independent as possible. Method: We analyze the phase diagram of low-density matter composed of neutrons, protons, and Λ hyperons using a relativistic mean field (RMF) model. We largely explore the parameter space to pin down generic features of the phase transition, and compare the results to ab initio quantum Monte Carlo calculations. Results: We show that the liquid-gas phase transition is only slightly quenched by the addition of hyperons. Strangeness is seen to be an order parameter of the phase transition, meaning that dilute strange matter is expected to be unstable with respect to the formation of hyperclusters. Conclusions: More quantitative results within the RMF model need improved functionals at low density, possibly fitted to ab initio calculations of nuclear and Λ matter.

  5. Phase diagrams for an ideal gas mixture of fermionic atoms and bosonic molecules

    DEFF Research Database (Denmark)

    Williams, J. E.; Nygaard, Nicolai; Clark, C. W.

    2004-01-01

    We calculate the phase diagrams for a harmonically trapped ideal gas mixture of fermionic atoms and bosonic molecules in chemical and thermal equilibrium, where the internal energy of the molecules can be adjusted relative to that of the atoms by use of a tunable Feshbach resonance. We plot...... diagrams obtained in recent experiments on the Bose-Einstein condensation to Bardeen-Cooper-Schrieffer crossover, in which the condensate fraction is plotted as a function of the initial temperature of the Fermi gas measured before a sweep of the magnetic field through the resonance region....

  6. Review: gas-phase ion chemistry of the noble gases: recent advances and future perspectives.

    Science.gov (United States)

    Grandinetti, Felice

    2011-01-01

    This review article surveys recent experimental and theoretical advances in the gas-phase ion chemistry of the noble gases. Covered issues include the interaction of the noble gases with metal and non-metal cations, the conceivable existence of covalent noble-gas anions, the occurrence of ion-molecule reactions involving singly-charged xenon cations, and the occurrence of bond-forming reactions involving doubly-charged cations. Research themes are also highlighted, that are expected to attract further interest in the future.

  7. On Berezinskii-Kosterlitz-Thouless phase transition and universal breathing mode in two dimensional photon gas

    OpenAIRE

    Vyas, Vivek M.; Panigrahi, Prasanta. K.; Banerji, J.

    2013-01-01

    A system of two dimensional photon gas has recently been realized experimentally. It is pointed out that this setup can be used to observe a universal breathing mode of photon gas. It is shown that a modification in the experimental setup would open up a possibility of observing the Berezinskii-Kosterlitz-Thouless (BKT) phase transition in such a system. It is shown that the universal jump in the superfluid density of light in the output channel can be used as an unambiguous signature for the...

  8. On Berezinskii-Kosterlitz-Thouless phase transition and universal breathing mode in two dimensional photon gas

    CERN Document Server

    Vyas, Vivek M; Banerji, J

    2013-01-01

    A system of two dimensional photon gas has recently been realized experimentally. It is pointed out that this setup can be used to observe a universal breathing mode of photon gas. It is shown that a modification in the experimental setup would open up a possibility of observing the Berezinskii-Kosterlitz-Thouless (BKT) phase transition in such a system. It is shown that the universal jump in the superfluid density of light in the output channel can be used as an unambiguous signature for the experimental verification of the BKT transition.

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

    Energy Technology Data Exchange (ETDEWEB)

    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 /sup 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.

  10. Carbonyl Compounds in the Gas Phase of Cigarette Mainstream Smoke and Their Pharmacological Properties.

    Science.gov (United States)

    Horinouchi, Takahiro; Higashi, Tsunehito; Mazaki, Yuichi; Miwa, Soichi

    2016-01-01

    Cigarette mainstream smoke is composed of gas and tar phases and contains >4000 chemical constituents, including nicotine and tar. The substances in the gas phase but not in the tar phase can pass through the airway epithelial barrier, enter the systemic circulation via the pulmonary circulation, and increase systemic oxidative damage, leading to the development of cigarette smoking-related diseases such as atherosclerosis. Recently, we identified some stable carbonyl compounds, including acrolein (ACR) and methyl vinyl ketone (MVK), as major cytotoxic factors in nicotine- and tar-free cigarette smoke extract (CSE) of the gas phase. CSE, ACR, and MVK induce protein kinase C (PKC)-dependent activation of reduced nicotinamide adenine dinucleotide phosphate (NADPH) oxidase (NOX) and subsequent generation of reactive oxygen species (ROS) via NOX, causing plasma membrane damage and cell apoptosis. CSE, ACR, and MVK also trigger carbonylation of PKC, which is an irreversible oxidative modification. Cell damage and PKC carbonylation in response to treatment with CSE, ACR, or MVK are abolished by thiol-containing antioxidants such as N-acetyl-L-cysteine and reduced glutathione. Thus pharmacological modulation of PKC and NOX activities and the trapping of ROS are potential strategies for the prevention of diseases related to cigarette smoking.

  11. Beyond phthalates: Gas phase concentrations and modeled gas/particle distribution of modern plasticizers

    Energy Technology Data Exchange (ETDEWEB)

    Schossler, Patricia [Fraunhofer WKI, Department of Material Analysis and Indoor Chemistry, Bienroder Weg 54E, D-38108 Braunschweig (Germany); Institute of Environmental and Sustainable Chemistry, Technische Universitaet Braunschweig, Hagenring 30, D-38106 Braunschweig (Germany); Schripp, Tobias, E-mail: tobias.schripp@wki.fraunhofer.de [Fraunhofer WKI, Department of Material Analysis and Indoor Chemistry, Bienroder Weg 54E, D-38108 Braunschweig (Germany); Salthammer, Tunga [Fraunhofer WKI, Department of Material Analysis and Indoor Chemistry, Bienroder Weg 54E, D-38108 Braunschweig (Germany); Bahadir, Muefit [Institute of Environmental and Sustainable Chemistry, Technische Universitaet Braunschweig, Hagenring 30, D-38106 Braunschweig (Germany)

    2011-09-01

    The ongoing health debate about polymer plasticizers based on the esters of phthalic acid, especially di(2-ethylhexyl) phthalate (DEHP), has caused a trend towards using phthalates of lower volatility such as diisononyl phthalate (DINP) and towards other acid esters, such as adipates, terephthalates, citrates, etc. Probably the most important of these so-called 'alternative' plasticizers is diisononyl cyclohexane-1,2-dicarboxylate (DINCH). In the indoor environment, the continuously growing market share of this compound since its launch in 2002 is inter alia apparent from the increasing concentration of DINCH in settled house dust. From the epidemiological point of view there is considerable interest in identifying how semi-volatile organic compounds (SVOCs) distribute in the indoor environment, especially in air, airborne particles and sedimented house dust. This, however, requires reliable experimental concentration data for the different media and good measurements or estimates of their physical and chemical properties. This paper reports on air concentrations for DINP, DINCH, diisobutyl phthalate (DIBP), diisobutyl adipate (DIBA), diisobutyl succinate (DIBS) and diisobutyl glutarate (DIBG) from emission studies in the Field and Laboratory Emission Cell (FLEC). For DINP and DINCH it took about 50 days to reach the steady-state value: for four months no decay in the concentration could be observed. Moreover, vapor pressures p{sub 0} and octanol-air partitioning coefficients K{sub OA} were obtained for 37 phthalate and non-phthalate plasticizers from two different algorithms: EPI Suite and SPARC. It is shown that calculated gas/particle partition coefficients K{sub p} and fractions can widely differ due to the uncertainty in the predicted p{sub 0} and K{sub OA} values. For most of the investigated compounds reliable experimental vapor pressures are not available. Rough estimates can be obtained from the measured emission rate of the pure compound in a

  12. Noncovalent Halogen Bonding as a Mechanism for Gas-Phase Clustering

    Science.gov (United States)

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

    2017-10-01

    Gas-phase clustering of nonionizable iodylbenzene (PhIO2) is attributed to supramolecular halogen bonding. Electrospray ionization results in the formation of ions of proton-charged and preferably sodium-charged clusters assignable to [H(PhIO2) n ]+, n = 1-7; [Na(PhIO2) n ]+, n = 1-6; [Na2(PhIO2) n ]2+, n = 7-20; [HNa(PhIO2) n ]2+, n = 6-19; [HNa2(PhIO2) n ]3+, n = 15-30; and [Na3(PhIO2) n ]3+, n = 14-30. The largest cluster detected has a supramolecular mass of 7147 Da. Electronic structure calculations using the M06-2X functional with the 6-311++G(d,p) basis set for C, H, and O, and LANL2DZ basis set for I and Na predict 298 K binding enthalpies for the protonated and sodiated iodylbenzene dimers and trimers are greater than 180 kJ/mol. This is exceptionally high in comparison with other protonated and sodiated clusters with well-established binding enthalpies. Strongly halogen-bonded motifs found 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. [Figure not available: see fulltext.

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

    Science.gov (United States)

    Wu, Binxin

    2010-07-01

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

  14. Net global warming potential and greenhouse gas intensity in rice agriculture driven by high yields and nitrogen use efficiency: a 5 year field study

    Science.gov (United States)

    Zhang, X.; Zhou, Z.; Liu, Y.; Xu, X.; Wang, J.; Zhang, H.; Xiong, Z.

    2015-11-01

    Our understanding of how net global warming potential (NGWP) and greenhouse gas intensity (GHGI) is affected by management practices aimed at food security with respect to rice agriculture remains limited. In the present study, a 5 year field experiment was conducted in China to evaluate the effects of integrated soil-crop system management (ISSM) on NGWP and GHGI after accounting for carbon dioxide (CO2) emissions from all sources (methane, CH4, and nitrous oxide, N2O, emissions, agrochemical inputs, Ei, and farm operations, Eo) and sinks (i.e., soil organic carbon, SOC, sequestration). For the improvement of rice yield and agronomic nitrogen use efficiency (NUE), four ISSM scenarios consisting of different nitrogen (N) fertilization rates relative to the local farmers' practice (FP) rate were carried out, namely, N1 (25 % reduction), N2 (10 % reduction), N3 (FP rate) and N4 (25 % increase). The results showed that compared with the FP, the four ISSM scenarios, i.e., N1, N2, N3 and N4, significantly increased the rice yields by 10, 16, 28 and 41 % and the agronomic NUE by 75, 67, 86 and 82 %, respectively. In addition, compared with the FP, the N1 and N2 scenarios significantly reduced the GHGI by 14 and 18 %, respectively, despite similar NGWPs. The N3 and N4 scenarios remarkably increased the NGWP and GHGI by an average of 67 and 36 %, respectively. In conclusion, the ISSM strategies are promising for both food security and environmental protection, and the ISSM scenario of N2 is the optimal strategy to realize high yields and high NUE together with low environmental impacts for this agricultural rice field.

  15. Characteristics of three-phase internal loop airlift bioreactors with complete gas recirculation for non-Newtonian fluids.

    Science.gov (United States)

    Wen, Jianping; Jia, Xiaoqiang; Cheng, Xianrui; Yang, Peng

    2005-05-01

    Hydrodynamic and gas-liquid mass transfer characteristics, such as liquid velocity, gas holdup, solid holdup and gas-liquid volumetric mass transfer coefficient, in the riser and downcomer of the gas-liquid-solid three-phase internal loop airlift bioreactors with complete gas recirculation for non-Newtonian fluids, were investigated. A mathematical model for the description of flow behavior and gas-liquid mass transfer of these bioreactors was developed. The predicted results of this model agreed well with the experimental data.

  16. Net global warming potential and greenhouse gas intensity in a double cropping cereal rotation as affected by nitrogen and straw management

    Directory of Open Access Journals (Sweden)

    T. Huang

    2013-08-01

    Full Text Available The effects of nitrogen and straw management on global warming potential (GWP and greenhouse gas intensity (GHGI in a winter wheat–summer maize double-cropping system on the North China Plain were investigated. We measured nitrous oxide (N2O emissions and studied net GWP (NGWP and GHGI by calculating the net exchange of CO2 equivalent (CO2-eq from greenhouse gas emissions, agricultural inputs and management practices, and changes in soil organic carbon (SOC, based on a long-term field experiment established in 2006. The field experiment includes six treatments with three fertilizer N levels (zero-N control, optimum and conventional N and straw removal (i.e. N0, Nopt and Ncon or return (i.e. N0, Nopt and SNcon. Optimum N management (Nopt, SNopt saved roughly half of the fertilizer N compared to conventional agricultural practice (Ncon, SNcon with no significant effect on grain yields. Annual mean N2O emissions reached 3.90 kg N2O-N ha−1 in Ncon and SNcon, and N2O emissions were reduced by 46.9% by optimizing N management of Nopt and SNopt. Straw return increased annual mean N2O emissions by 27.9%. Annual SOC sequestration was 0.40–1.44 Mg C ha−1 yr−1 in plots with N application and/or straw return. Compared to the conventional N treatments the optimum N treatments reduced NGWP by 51%, comprising 25% from decreasing N2O emissions and 75% from reducing N fertilizer application rates. Straw return treatments reduced NGWP by 30% compared to no straw return because the GWP from increments of SOC offset the GWP from higher emissions of N2O, N fertilizer and fuel after straw return. The GHGI trends from the different nitrogen and straw management practices were similar to the NGWP. In conclusion, optimum N and straw return significantly reduced NGWP and GHGI and concomitantly achieved relatively high grain yields in this important winter wheat–summer maize double-cropping system.

  17. Impact of venous systemic oxygen persufflation supplemented with nitric oxide gas on cold-stored, warm ischemia-damaged experimental liver grafts.

    Science.gov (United States)

    Srinivasan, Pramod Kadaba; Yagi, Shintaro; Doorschodt, Benedict; Nagai, Kazuyuki; Afify, Mamdouh; Uemoto, Shinji; Tolba, Rene

    2012-02-01

    The increasing shortage of donor organs has led to the increasing use of organs from non-heart-beating donors. We aimed to assess the impact of venous systemic oxygen persufflation (VSOP) supplemented with nitric oxide (NO) gas during the cold storage (CS) of warm ischemia (WI)-damaged experimental liver grafts. Rat livers (n = 5 per group) were retrieved after 30 minutes of WI induced by cardiac arrest (the WI group) and were thereafter preserved for 24 hours by CS in histidine tryptophan ketoglutarate solution. During CS, gaseous oxygen was insufflated via the caval vein with 40 ppm NO (the VSOP-NO group) or without NO (the VSOP group). Cold-stored livers without WI served as controls. Liver viability was assessed after the preservation period by normothermic isolated reperfusion for 45 minutes with oxygenated Krebs-Henseleit buffer. After 45 minutes of reperfusion, the VSOP-NO-treated livers showed significantly lower alanine aminotransferase values than the WI-damaged livers (10.2 ± 0.2 versus 78.2 ± 14.6 IU/L), whereas the control livers showed no differences from the VSOP-NO-treated livers. The mitochondrial enzyme release was lower in the VSOP-NO group (4.0 ± 0.7 IU/L) versus the WI group (18.2 ± 4.9 IU/L). An increased portal vein pressure was observed throughout reperfusion (45 minutes) in the WI group (21.7 ± 0.2 mm Hg) versus the VSOP-NO group (12.2 ± 0.8 mm Hg) and the control group (19.9 ± 0.4 mm Hg). Furthermore, the NO concentration in the perfusate after 5 minutes of reperfusion was highest in the VSOP-NO group. The release of malondialdehyde into the perfusate was significantly reduced in the VSOP-NO group (0.9 ± 0.1 nmol/mL) versus the WI group (31.3 ± 5.3 nmol/mL). In conclusion, the resuscitation of livers after 30 minutes of WI to a level comparable to that of nonischemically damaged livers is possible with VSOP supplemented with NO gas. Moreover, the application of VSOP with NO minimizes the extent of injuries caused by oxygen free

  18. Global warming potential and greenhouse gas emission under different soil nutrient management practices in soybean-wheat system of central India.

    Science.gov (United States)

    Lenka, Sangeeta; Lenka, Narendra Kumar; Singh, Amar Bahadur; Singh, B; Raghuwanshi, Jyothi

    2017-02-01

    Soil nutrient management is a key component contributing to the greenhouse gas (GHG) flux and mitigation potential of agricultural production systems. However, the effect of soil nutrient management practices on GHG flux and global warming potential (GWP) is less understood in agricultural soils of India. The present study was conducted to compare three nutrient management systems practiced for nine consecutive years in a soybean-wheat cropping system in the Vertisols of India, in terms of GHG flux and GWP. The treatments were composed of 100% organic (ONM), 100% inorganic (NPK), and integrated nutrient management (INM) with 50% organic + 50% inorganic inputs. The gas samples for GHGs (CO2, CH4, and N2O) were collected by static chamber method at about 15-day interval during 2012-13 growing season. The change in soil organic carbon (SOC) content was estimated in terms of the changes in SOC stock in the 0-15 cm soil over the 9-year period covering 2004 to 2013. There was a net uptake of CH4 in all the treatments in both soybean and wheat crop seasons. The cumulative N2O and CO2 emissions were in the order of INM > ONM > NPK with significant difference between treatments (p < 0.05) in both the crop seasons. The annual GWP, expressed in terms of CH4 and N2O emission, also followed the same trend and was estimated to be 1126, 1002, and 896 kg CO2 eq ha(-1) year(-1) under INM, ONM, and NPK treatments, respectively. However, the change in SOC stock was significantly higher under ONM (1250 kg ha(-1) year(-1)) followed by INM (417 kg ha(-1) year(-1)) and least under NPK (198 kg ha(-1) year(-1)) treatment. The wheat equivalent yield was similar under ONM and INM treatments and was significantly lower under NPK treatment. Thus, the GWP per unit grain yield was lower under ONM followed by NPK and INM treatments and varied from 250, 261, and 307 kg CO2 eq Mg(-1) grain yield under ONM, NPK, and INM treatments, respectively.

  19. Frontiers and challenges in warm dense matter

    CERN Document Server

    Desjarlais, Michael; Redmer, Ronald; Trickey, Samuel

    2014-01-01

    Warm Dense Matter (WDM) occupies a loosely defined region of phase space intermediate between solid, liquid, gas, and plasma, and typically shares characteristics of two or more of these phases. WDM is generally associated with the combination of strongly coupled ions and moderately degenerate electrons, and careful attention to quantum physics and electronic structure is essential. The lack of a small perturbation parameter greatly limits approximate attempts at its accurate description. Since WDM resides at the intersection of solid state and high energy density physics, many high energy density physics (HEDP) experiments pass through this difficult region of phase space. Thus, understanding and modeling WDM is key to the success of experiments on diverse facilities. These include the National Ignition Campaign centered on the National Ignition Facility (NIF), pulsed-power driven experiments on the Z machine, ion-beam-driven WDM experiments on the NDCX-II, and fundamental WDM research at the Linear Coherent...

  20. Erratum: ``Molecular Gas in Spiral Galaxies: A New Warm Phase at Large Galactocentric Distances?'' (ApJ, 579, 270 [2002])

    Science.gov (United States)

    Papadopoulos, P. P.; Thi, W.-F.; Viti, S.

    2003-01-01

    Two errors occurred because author corrections were not transferred faithfully during the production process. Equation (7) should readR10=26.8rop(1+1/5e510/T1+[ncr(0)/n]1+3/7e845/T1+[ncr(1)/n])(7)instead ofR10=26.8rop(1+1/5e510/T1+[ncr(0)/n]1+3/7e845/T1+[ncr(1)/n])op.(7) In the Acknowledgments, the name of the friend we honored is Enric Argiles Maja, not Enrique Argiles Maja. The Press sincerely regrets these errors.

  1. Novel guanidinium-based ionic liquids as stationary phases for capillary gas chromatography

    Institute of Scientific and Technical Information of China (English)

    Li Zhen Qiao; Kai Lu; Mei Ling Qi; Ruo Nong Fu

    2010-01-01

    The present study describes guanidinium-based ionic liquids(GBILs)as stationary phases for capillary gas chromatography(CGC)and to the best of our knowledge,no related reports are available up to now.In this study,a hexaalkylguanidinium ionic liquid(DOTMG-NTf2)was synthesized and coated statically onto capillary columns.Selectivity of the stationary phase was evaluated by separating Grob test mixture,test mixture,alcohols mixture,and fatty acid methyl esters mixture,and thermal stability was investigated as well.The present study demonstrates that GBILs as CGC stationary phases exhibit satisfactory selectivity and thermal stability and have a great potential as new candidates for CGC stationary phases.

  2. Phase diagram of a driven interacting three-state lattice gas

    Energy Technology Data Exchange (ETDEWEB)

    Lyman, E.; Schmittmann, B. [Center for Stochastic Processes in Science and Engineering, and Physics Department, Virginia Tech, Blacksburg, VA (United States)

    2002-04-26

    We present Monte Carlo simulations of a three-state lattice gas, half-filled with two types of particles which attract one another, irrespective of their identities. A bias drives the two particle species in opposite directions, establishing and maintaining a non-equilibrium steady state. We map out the phase diagram at fixed bias, as a function of temperature and fraction of the second species. As the temperature is lowered, a continuous transition occurs, from a disordered homogeneous phase into two distinct strip-like ordered phases. Which of the latter is selected depends on the admixture of the second species. A first-order line separates the two ordered states at lower temperatures, emerging from the continuous line at a non-equilibrium bicritical point. For intermediate fraction of the second species, all three phases can be observed. (author). Letter-to-the-editor.

  3. 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

  4. Heat Transfer Research of Gas-solid-liquid Three Phase Coupling of EGR Cooler

    Directory of Open Access Journals (Sweden)

    Fu-Wu Yan

    2014-05-01

    Full Text Available The main aim of the study is to get the temperature and backpressure of a car engine exhaust gas which goes through the EGR-cooler. So the internal fluid flow and heat transfer process of the EGR cooler must be studied more clearly, numerical simulations are applied. Based on the strong coupling method, gas-solid-liquid three phases coupling model of the typical heat transfer unit is established. According to the coupling result, the heat flux of the tube’s outside surface is gained and then mapped to the inner surface of the cooler’s water. The water model is set up based on the separation coupling method. According to the analysis of the calculation, the detailed pressure and temperature distribution of the gas, water and solid are obtained. From the distribution cloud, we know the changes of the parameters along the fluid flows streamline.

  5. Phase diagram and universality of the Lennard-Jones gas-liquid system.

    Science.gov (United States)

    Watanabe, Hiroshi; Ito, Nobuyasu; Hu, Chin-Kun

    2012-05-28

    The gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point is determined by the block density analysis of the Binder parameter with the aid of the law of rectilinear diameter. From the critical behavior of the gas-liquid coexisting density, the critical exponent of the order parameter is estimated to be β = 0.3285(7). Surface tension is estimated from interface broadening behavior due to capillary waves. From the critical behavior of the surface tension, the critical exponent of the correlation length is estimated to be ν = 0.63(4). The obtained values of β and ν are consistent with those of the Ising universality class.

  6. Phase diagram and universality of the Lennard-Jones gas-liquid system

    KAUST Repository

    Watanabe, Hiroshi

    2012-01-01

    The gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point is determined by the block density analysis of the Binder parameter with the aid of the law of rectilinear diameter. From the critical behavior of the gas-liquid coexisting density, the critical exponent of the order parameter is estimated to be β = 0.3285(7). Surface tension is estimated from interface broadening behavior due to capillary waves. From the critical behavior of the surface tension, the critical exponent of the correlation length is estimated to be ν = 0.63(4). The obtained values of β and ν are consistent with those of the Ising universality class. © 2012 American Institute of Physics.

  7. Growth mechanism of a gas clathrate hydrate from a dilute aqueous gas solution: a molecular dynamics simulation of a three-phase system.

    Science.gov (United States)

    Nada, Hiroki

    2006-08-24

    A molecular dynamics simulation of a three-phase system including a gas clathrate, liquid water, and a gas was carried out at 298 K and high pressure in order to investigate the growth mechanism of the clathrate from a dilute aqueous gas solution. The simulation indicated that the clathrate grew on interfaces between the clathrate and the liquid water, after transfer of the gas molecules from the gas phase to the interfaces. The results suggest a two-step process for growth: first, gas molecules are arranged at cage sites, and second, H(2)O molecules are ordered near the gas molecules. The results also suggest that only the H(2)O molecules, which are surrounded or sandwiched by the gas molecules, form the stable polygons that constitute the cages of the clathrate. In addition, the growth of the clathrate from a concentrated aqueous gas solution was also simulated, and the results suggested a growth mechanism in which many H(2)O and gas molecules correctively form the structure of the clathrate. The clathrate grown from the concentrated solution contained some empty cages, whereas the formation of empty cages was not observed during the growth from the dilute solution. The results obtained by both simulations are compared with the results of an experimental study, and the growth mechanism of the clathrate in a real system is discussed.

  8. Hydration energies of deprotonated amino acids from gas phase equilibria measurements.

    Science.gov (United States)

    Wincel, Henryk

    2008-08-01

    Singly hydrated clusters of deprotonated amino acids were studied using an electrospray high-pressure mass spectrometer equipped with a pulsed ion-beam reaction chamber. Thermochemical data, DeltaH(o), DeltaS(o), and DeltaG(o), for the hydration reaction [AA - H](-) + H(2)O = [AA - H](-).(H(2)O) were obtained from gas-phase equilibria determinations for AA = Gly, Ala, Val, Pro, Phe, Lys, Met, Trp, Gln, Arg, and Asp. The hydration free-energy changes are found to depend significantly on the side-chain substituents. The water binding energy in [AA - H](-).(H(2)O) increases with the gas-phase acidity of AA. The anionic hydrogen bond strengths in [AA - H](-).(H(2)O) are compared with those of the cationic bonds in the corresponding AAH(+).(H(2)O) systems.

  9. Multifunctional acid formation from the gas-phase ozonolysis of beta-pinene.

    Science.gov (United States)

    Ma, Yan; Marston, George

    2008-10-28

    The gas-phase ozonolysis of beta-pinene was studied in static chamber experiments, using gas chromatography coupled to mass spectrometric and flame ionisation detection to separate and detect products. A range of multifunctional organic acids-including pinic acid, norpinic acid, pinalic-3-acid, pinalic-4-acid, norpinalic acid and OH-pinalic acid-were identified in the condensed phase after derivatisation. Formation yields for these products under systematically varying reaction conditions (by adding different OH radical scavengers and Criegee intermediate scavengers) were investigated and compared with those observed from alpha-pinene ozonolysis, allowing detailed information on product formation mechanisms to be elucidated. In addition, branching ratios for the initial steps of the reaction were inferred from quantitative measurements of primary carbonyl formation. Atmospheric implications of this work are discussed.

  10. Simplification of the CBS-QB3 method for predicting gas-phase deprotonation free energies

    Science.gov (United States)

    Casasnovas, Rodrigo; Frau, Juan; Ortega-Castro, Joaquín; Salvà, Antoni; Donoso, Josefa; Muñoz, Francisco

    Simplified versions of CBS-QB3 model chemistry were used to calculate the free energies of 36 deprotonation reactions in the gas phase. The best such version, S9, excluded coupled cluster calculation [CCSD(T)], and empirical (ΔEemp) and spin-orbit (ΔEint) correction terms. The mean absolute deviation and root mean square thus obtained (viz. 1.24 and 1.56 kcal/mol, respectively) were very-close to those provided by the original CBS-QB3 method (1.19 and 1.52 kcal/mol, respectively). The high-accuracy of the proposed simplification and its computational expeditiousness make it an excellent choice for energy calculations on gas-phase deprotonation reactions in complex systems.

  11. Distinct Fragmentation Pathways of Anticancer Drugs Induced by Charge-Carrying Cations in the Gas Phase

    Science.gov (United States)

    Hong, Areum; Lee, Hong Hee; Heo, Chae Eun; Cho, Yunju; Kim, Sunghwan; Kang, Dukjin; Kim, Hugh I.

    2017-04-01

    With the growth of the pharmaceutical industry, structural elucidation of drugs and derivatives using tandem mass spectrometry (MS2) has become essential for drug development and pharmacokinetics studies because of its high sensitivity and low sample requirement. Thus, research seeking to understand fundamental relationships between fragmentation patterns and precursor ion structures in the gas phase has gained attention. In this study, we investigate the fragmentation of the widely used anticancer drugs, doxorubicin (DOX), vinblastine (VBL), and vinorelbine (VRL), complexed by a singly charged proton or alkali metal ion (Li+, Na+, K+) in the gas phase. The drug-cation complexes exhibit distinct fragmentation patterns in tandem mass spectra as a function of cation size. The trends in fragmentation patterns are explicable in terms of structures derived from ion mobility mass spectrometry (IM-MS) and theoretical calculations.

  12. Kinetic analysis of photocatalytic oxidation of gas-phase formaldehyde over titanium dioxide.

    Science.gov (United States)

    Liu, Hongmin; Lian, Zhiwei; Ye, Xiaojiang; Shangguan, Wenfeng

    2005-07-01

    Degradation of formaldehyde with different initial concentration over titanium dioxide was carried out in a photocatalytic reactor. Photocatalytic rates were well described by the simplified Langmuir-Hinshelwood model. The kinetic analysis shows that the apparent first-order reaction coefficient is lower and half-life of photocatalysis is longer for low concentration than for high concentration formaldehyde. A network formation model of the photocatalytic products was established. Experimental results and analysis demonstrate that carbon dioxide concentration and carbon monoxide concentration in gas phase vary exponentially with the illumination time and may be even higher than gas-phase formaldehyde concentration if there is much pre-adsorbed formaldehyde in adsorption equilibrium on catalysts before illumination. Carbon monoxide is found to be one of the by-products during formaldehyde photooxidation.

  13. Imaging molecular structure through femtosecond photoelectron diffraction on aligned and oriented gas-phase molecules.

    Science.gov (United States)

    Boll, Rebecca; Rouzée, Arnaud; Adolph, Marcus; Anielski, Denis; Aquila, Andrew; Bari, Sadia; Bomme, Cédric; Bostedt, Christoph; Bozek, John D; Chapman, Henry N; Christensen, Lauge; Coffee, Ryan; Coppola, Niccola; De, Sankar; Decleva, Piero; Epp, Sascha W; Erk, Benjamin; Filsinger, Frank; Foucar, Lutz; Gorkhover, Tais; Gumprecht, Lars; Hömke, André; Holmegaard, Lotte; Johnsson, Per; Kienitz, Jens S; Kierspel, Thomas; Krasniqi, Faton; Kühnel, Kai-Uwe; Maurer, Jochen; Messerschmidt, Marc; Moshammer, Robert; Müller, Nele L M; Rudek, Benedikt; Savelyev, Evgeny; Schlichting, Ilme; Schmidt, Carlo; Scholz, Frank; Schorb, Sebastian; Schulz, Joachim; Seltmann, Jörn; Stener, Mauro; Stern, Stephan; Techert, Simone; Thøgersen, Jan; Trippel, Sebastian; Viefhaus, Jens; Vrakking, Marc; Stapelfeldt, Henrik; Küpper, Jochen; Ullrich, Joachim; Rudenko, Artem; Rolles, Daniel

    2014-01-01

    This paper gives an account of our progress towards performing femtosecond time-resolved photoelectron diffraction on gas-phase molecules in a pump-probe setup combining optical lasers and an X-ray free-electron laser. We present results of two experiments aimed at measuring photoelectron angular distributions of laser-aligned 1-ethynyl-4-fluorobenzene (C(8)H(5)F) and dissociating, laser-aligned 1,4-dibromobenzene (C(6)H(4)Br(2)) molecules and discuss them in the larger context of photoelectron diffraction on gas-phase molecules. We also show how the strong nanosecond laser pulse used for adiabatically laser-aligning the molecules influences the measured electron and ion spectra and angular distributions, and discuss how this may affect the outcome of future time-resolved photoelectron diffraction experiments.

  14. Luther-Emery Phase and Atomic-Density Waves in a Trapped Fermion Gas

    Science.gov (United States)

    Xianlong, Gao; Rizzi, M.; Polini, Marco; Fazio, Rosario; Tosi, M. P.; Campo, V. L., Jr.; Capelle, K.

    2007-01-01

    The Luther-Emery liquid is a state of matter that is predicted to occur in one-dimensional systems of interacting fermions and is characterized by a gapless charge spectrum and a gapped spin spectrum. In this Letter we discuss a realization of the Luther-Emery phase in a trapped cold-atom gas. We study by means of the density-matrix renormalization-group technique a two-component atomic Fermi gas with attractive interactions subject to parabolic trapping inside an optical lattice. We demonstrate how this system exhibits compound phases characterized by the coexistence of spin pairing and atomic-density waves. A smooth crossover occurs with increasing magnitude of the atom-atom attraction to a state in which tightly bound spin-singlet dimers occupy the center of the trap. The existence of atomic-density waves could be detected in the elastic contribution to the light-scattering diffraction pattern.

  15. Imaging Molecular Structure through Femtosecond Photoelectron Diffraction on Aligned and Oriented Gas-Phase Molecules

    CERN Document Server

    Boll, R; Adolph, M; Anielski, D; Aquila, A; Bari, S; Bomme, C; Bostedt, C; Bozek, J D; Chapman, H N; Christensen, L; Coffee, R; Coppola, N; De, S; Decleva, P; Epp, S W; Erk, B; Filsinger, F; Foucar, L; Gorkhover, T; Gumprecht, L; Hoemke, A; Holmegaard, L; Johnsson, P; Kienitz, J S; Kierspel, T; Krasniqi, F; Kuehnel, K -U; Maurer, J; Messerschmidt, M; Moshammer, R; Mueller, Nele L M; Rudek, B; Savelyev, E; Schlichting, I; Schmidt, C; Scholz, F; Schorb, S; Schulz, J; Seltmann, J; Stener, M; Stern, S; Techert, S; Thogersen, J; Trippel, S; Viefhaus, J; Vrakking, M; Stapelfeldt, H; Kuepper, J; Ullrich, J; Rudenko, A; Rolles, D

    2014-01-01

    This paper gives an account of our progress towards performing femtosecond time-resolved photoelectron diffraction on gas-phase molecules in a pump-probe setup combining optical lasers and an X-ray Free-Electron Laser. We present results of two experiments aimed at measuring photoelectron angular distributions of laser-aligned 1-ethynyl-4-fluorobenzene (C8H5F) and dissociating, laseraligned 1,4-dibromobenzene (C6H4Br2) molecules and discuss them in the larger context of photoelectron diffraction on gas-phase molecules. We also show how the strong nanosecond laser pulse used for adiabatically laser-aligning the molecules influences the measured electron and ion spectra and angular distributions, and discuss how this may affect the outcome of future time-resolved photoelectron diffraction experiments.

  16. Computer simulations on the gas-liquid phase diagram of Stockmayer fluids

    Institute of Scientific and Technical Information of China (English)

    L(U) Zhongyuan; OUYANG Wenze; SUN Zhaoyan; LI Zesheng; AN Lijia

    2005-01-01

    Particle exchange molecular dynamics (PEMD) simulation technique is proposed to study the gas-liquid phase diagram of fluids. In the simulations, the fluid particles can be transferred between the two coupled boxes, which possess constant total number of particles and volume. The particle transfer is controlled by the difference of chemical potential in the respective simulation box. After equilibrium the two boxes have the same pressure, temperature and chemical potential. The method is further used to study the gas-liquid phase diagram of Stockmayer fluid. Increasing the dipole strength will enhance the critical temperature. The predicted critical points are in agreement with those from Gibbs ensemble Monte Carlo simulations, while the small systematic difference is attributed to the system size effects and the thermostat methods.

  17. Why do high-redshift galaxies show diverse gas-phase metallicity gradients?

    CERN Document Server

    Ma, Xiangcheng; Feldmann, Robert; Torrey, Paul; Faucher-Giguere, Claude-Andre; Keres, Dusan

    2016-01-01

    Recent spatially resolved observations of galaxies at z=0.6-3 reveal that high-redshift galaxies show complex kinematics and a broad distribution of gas-phase metallicity gradients. To understand these results, we use a suite of high-resolution cosmological zoom-in simulations from the Feedback in Realistic Environments (FIRE) project, which include physically motivated models of the multi-phase ISM, star formation, and stellar feedback. Our simulations reproduce the observed diversity of kinematic properties and metallicity gradients, broadly consistent with observations at z=0-3. Strong negative metallicity gradients only appear in galaxies with a rotating disk, but not all rotationally supported galaxies have significant gradients. Strongly perturbed galaxies with little rotation always have flat gradients. The kinematic properties and metallicity gradient of a high-redshift galaxy can vary significantly on short time-scales, associated with starburst episodes. Feedback from a starburst can destroy the gas...

  18. Elusive Sulfurous Acid: Gas-Phase Basicity and IR Signature of the Protonated Species.

    Science.gov (United States)

    Sinha, Rajeev K; Scuderi, Debora; Maitre, Philippe; Chiavarino, Barbara; Crestoni, Maria Elisa; Fornarini, Simonetta

    2015-05-01

    The ion corresponding to protonated sulfurous acid, H3SO3(+), has been successfully delivered into the gas phase by electrospray ionization of the solution of a suitable precursor and an in-source fragmentation process. The neutral acid is a highly elusive molecule. However, its gas-phase basicity has been ascertained by means of a kinetic study of proton-transfer reactivity. The structure of the H3SO3(+) sampled ion has been probed by IRMPD spectroscopy in two complementary IR frequency ranges in conjunction with density functional theory calculations and found to conform to a trihydroxosulfonium ion. The characteristic IR signatures may aid in deciphering the presence of this species in extraterrestrial atmospheres.

  19. Infrared Action Spectroscopy of Low-Temperature Neutral Gas-Phase Molecules of Arbitrary Structure

    Science.gov (United States)

    Yatsyna, Vasyl; Bakker, Daniël J.; Salén, Peter; Feifel, Raimund; Rijs, Anouk M.; Zhaunerchyk, Vitali

    2016-09-01

    We demonstrate a technique for IR action spectroscopy that enables measuring IR spectra in a background-free fashion for low-temperature neutral gas-phase molecules of arbitrary structure. The method is exemplified experimentally for N -methylacetamide molecules in the mid-IR spectral range of 1000 - 1800 cm-1 , utilizing the free electron laser FELIX. The technique involves the resonant absorption of multiple mid-IR photons, which induces molecular dissociation. The dissociation products are probed with 10.49 eV vacuum ultraviolet photons and analyzed with a mass spectrometer. We also demonstrate the capability of this method to record, with unprecedented ease, mid-IR spectra for the molecular associates, such as clusters and oligomers, present in a molecular beam. In this way the mass-selected spectra of low-temperature gas-phase dimers and trimers of N -methylacetamide are measured in the full amide I-III range.

  20. Polymeric imidazolium ionic liquids as valuable stationary phases in gas chromatography: chemical synthesis and full characterization.

    Science.gov (United States)

    González-Álvarez, Jaime; Blanco-Gomis, Domingo; Arias-Abrodo, Pilar; Díaz-Llorente, Daniel; Ríos-Lombardía, Nicolás; Busto, Eduardo; Gotor-Fernández, Vicente; Gutiérrez-Álvarez, María Dolores

    2012-04-06

    Seven new functionalized polymerizable ionic liquids were chemically prepared, and later applied for the preparation of polymeric stationary phases in gas chromatography. These coated GC columns, which exhibited good thermal stabilities (240-300°C) and very high efficiencies (3120-4200 plates/m), have been characterized using the Abraham solvation parameter model. The chromatographic behavior of these polymeric IL columns has been deeply studied observing excellent selectivities in the separation of many organic substances such as alkanes, ketones, alcohols, amines or esters in mixtures of polar and non polar solvents or fragrances. Remarkably, the challenging separation of xylene isomers has been possible using a bis(trifluoromethylsulfonyl)amide based imidazolium IL coated column as a gas chromatography stationary phase.