Science.gov

Sample records for abundant liquid water

  1. Temporal changes in endmember abundances, liquid water and water vapor over vegetation at Jasper Ridge

    NASA Technical Reports Server (NTRS)

    Roberts, Dar A.; Green, Robert O.; Sabol, Donald E.; Adams, John B.

    1993-01-01

    Imaging spectrometry offers a new way of deriving ecological information about vegetation communities from remote sensing. Applications include derivation of canopy chemistry, measurement of column atmospheric water vapor and liquid water, improved detectability of materials, more accurate estimation of green vegetation cover and discrimination of spectrally distinct green leaf, non-photosynthetic vegetation (NPV: litter, wood, bark, etc.) and shade spectra associated with different vegetation communities. Much of our emphasis has been on interpreting Airborne Visible/Infrared Imaging Spectrometry (AVIRIS) data spectral mixtures. Two approaches have been used, simple models, where the data are treated as a mixture of 3 to 4 laboratory/field measured spectra, known as reference endmembers (EM's), applied uniformly to the whole image, to more complex models where both the number of EM's and the types of EM's vary on a per-pixel basis. Where simple models are applied, materials, such as NPV, which are spectrally similar to soils, can be discriminated on the basis of residual spectra. One key aspect is that the data are calibrated to reflectance and modeled as mixtures of reference EM's, permitting temporal comparison of EM fractions, independent of scene location or data type. In previous studies the calibration was performed using a modified-empirical line calibration, assuming a uniform atmosphere across the scene. In this study, a Modtran-based calibration approach was used to map liquid water and atmospheric water vapor and retrieve surface reflectance from three AVIRIS scenes acquired in 1992 over the Jasper Ridge Biological Preserve. The data were acquired on June 2nd, September 4th and October 6th. Reflectance images were analyzed as spectral mixtures of reference EM's using a simple 4 EM model. Atmospheric water vapor derived from Modtran was compared to elevation, and community type. Liquid water was compare to the abundance of NPV, Shade and Green Vegetation

  2. Water: The Strangest Liquid

    SciTech Connect

    Nilsson, Anders

    2009-02-24

    Water, H2O, is familiar to everyone - it shapes our bodies and our planet. But despite its abundance, water has remained a mystery, exhibiting many strange properties that are still not understood. Why does the liquid have an unusually large capacity to store heat? And why is it denser than ice? Now, using the intense X-ray beams from particle accelerators, investigations into water are leading to fundamental discoveries about the structure and arrangement of water molecules. This lecture will elucidate the many mysteries of water and discuss current studies that are revolutionizing the way we see and understand one of the most fundamental substances of life.

  3. Mars: occurrence of liquid water.

    PubMed

    Ingersoll, A P

    1970-05-22

    In the absence of juvenile liquid water, condensation of water vapor to ice and subsequent melting of ice are the only means of producing liquid water on the martian surface. However, the evaporation rate is so high that the available heat sources cannot melt pure ice. Liquid water is therefore limited to concentrated solutions of strongly deliquescent salts.

  4. Effect of nitrate and sulfate relative abundance in PM2.5 on liquid water content explored through half-hourly observations of inorganic soluble aerosols at a polluted receptor site

    NASA Astrophysics Data System (ADS)

    Xue, Jian; Griffith, Stephen M.; Yu, Xin; Lau, Alexis K. H.; Yu, Jian Zhen

    2014-12-01

    Liquid water content (LWC) is the amount of liquid water on aerosols. It contributes to visibility degradation, provides a surface for gas condensation, and acts as a medium for heterogeneous gas/particle reactions. In this study, 520 half-hourly measurements of ionic chemical composition in PM2.5 at a receptor site in Hong Kong are used to investigate the dependence of LWC on ionic chemical composition, particularly on the relative abundance of sulfate and nitrate. LWC was estimated using a thermodynamic model (AIM-III). Within this data set of PM2.5 ionic compositions, LWC was highly correlated with the multivariate combination of sulfate and nitrate concentrations and RH (R2 = 0.90). The empirical linear regression result indicates that LWC is more sensitive to nitrate mass than sulfate. During a nitrate episode, the highest LWC (80.6 ± 17.9 μg m-3) was observed and the level was 70% higher than that during a sulfate episode despite a similar ionic PM2.5 mass concentration. A series of sensitivity tests were conducted to study LWC change as a function of the relative nitrate and sulfate abundance, the trend of which is expected to shift to more nitrate in China as a result of SO2 reduction and increase in NOx emission. Starting from a base case that uses the average of measured PM2.5 ionic chemical composition (63% SO42-, 11% NO3-, 19% NH4+, and 7% other ions) and an ionic equivalence ratio, [NH4+]/(2[SO42-] + [NO3-]), set constant to 0.72, the results show LWC would increase by 204% at RH = 40% when 50% of the SO42- is replaced by NO3- mass concentration. This is largely due to inhibition of (NH4)3H(SO4)2 crystallization while PM2.5 ionic species persist in the aqueous phase. At RH = 90%, LWC would increase by 12% when 50% of the SO42- is replaced by NO3- mass concentration. The results of this study highlight the important implications to aerosol chemistry and visibility degradation associated with LWC as a result of a shift in PM2.5 ionic chemical

  5. Liquid Water Oceans in Ice Giants

    NASA Technical Reports Server (NTRS)

    Wiktorowicz, Sloane J.; Ingersoll, Andrew P.

    2007-01-01

    Aptly named, ice giants such as Uranus and Neptune contain significant amounts of water. While this water cannot be present near the cloud tops, it must be abundant in the deep interior. We investigate the likelihood of a liquid water ocean existing in the hydrogen-rich region between the cloud tops and deep interior. Starting from an assumed temperature at a given upper tropospheric pressure (the photosphere), we follow a moist adiabat downward. The mixing ratio of water to hydrogen in the gas phase is small in the photosphere and increases with depth. The mixing ratio in the condensed phase is near unity in the photosphere and decreases with depth; this gives two possible outcomes. If at some pressure level the mixing ratio of water in the gas phase is equal to that in the deep interior, then that level is the cloud base. The gas below the cloud base has constant mixing ratio. Alternately, if the mixing ratio of water in the condensed phase reaches that in the deep interior, then the surface of a liquid ocean will occur. Below this ocean surface, the mixing ratio of water will be constant. A cloud base occurs when the photospheric temperature is high. For a family of ice giants with different photospheric temperatures, the cooler ice giants will have warmer cloud bases. For an ice giant with a cool enough photospheric temperature, the cloud base will exist at the critical temperature. For still cooler ice giants, ocean surfaces will result. A high mixing ratio of water in the deep interior favors a liquid ocean. We find that Neptune is both too warm (photospheric temperature too high) and too dry (mixing ratio of water in the deep interior too low) for liquid oceans to exist at present. To have a liquid ocean, Neptune s deep interior water to gas ratio would have to be higher than current models allow, and the density at 19 kbar would have to be approx. equal to 0.8 g/cu cm. Such a high density is inconsistent with gravitational data obtained during the Voyager

  6. Aquifer water abundance evaluation using a fuzzy- comprehensive weighting method

    NASA Astrophysics Data System (ADS)

    Wei, Z.

    2016-08-01

    Aquifer water abundance evaluation is a highly relevant issue that has been researched for many years. Despite prior research, problems with the conventional evaluation method remain. This paper establishes an aquifer water abundance evaluation method that combines fuzzy evaluation with a comprehensive weighting method to overcome both the subjectivity and lack of conformity in determining weight by pure data analysis alone. First, this paper introduces the principle of a fuzzy-comprehensive weighting method. Second, the example of well field no. 3 (of a coalfield) is used to illustrate the method's process. The evaluation results show that this method is can more suitably meet the real requirements of aquifer water abundance assessment, leading to more precise and accurate evaluations. Ultimately, this paper provides a new method for aquifer water abundance evaluation.

  7. Is Every Transparent Liquid Water?

    NASA Astrophysics Data System (ADS)

    Hugerat, Muhamad; Basheer, Sobhi

    2001-08-01

    The accepted description for water in schools worldwide is a transparent and colorless liquid. Since students in lower grades (ages 8-13) often see warning signs "Do not drink this liquid--it is not water", we believe that presenting experiments that demonstrate the inadequacy of the accepted description for water would be beneficial for teachers and their students to practice in their schools. These activities provide simple experiments that introduce students to important characteristics of different compounds that have similar external appearance. The characteristics presented here include polarity, electric conductivity, color change due to presence of an acid-base indicator, and electrolysis.

  8. Water: A Tale of Two Liquids.

    PubMed

    Gallo, Paola; Amann-Winkel, Katrin; Angell, Charles Austen; Anisimov, Mikhail Alexeevich; Caupin, Frédéric; Chakravarty, Charusita; Lascaris, Erik; Loerting, Thomas; Panagiotopoulos, Athanassios Zois; Russo, John; Sellberg, Jonas Alexander; Stanley, Harry Eugene; Tanaka, Hajime; Vega, Carlos; Xu, Limei; Pettersson, Lars Gunnar Moody

    2016-07-13

    Water is the most abundant liquid on earth and also the substance with the largest number of anomalies in its properties. It is a prerequisite for life and as such a most important subject of current research in chemical physics and physical chemistry. In spite of its simplicity as a liquid, it has an enormously rich phase diagram where different types of ices, amorphous phases, and anomalies disclose a path that points to unique thermodynamics of its supercooled liquid state that still hides many unraveled secrets. In this review we describe the behavior of water in the regime from ambient conditions to the deeply supercooled region. The review describes simulations and experiments on this anomalous liquid. Several scenarios have been proposed to explain the anomalous properties that become strongly enhanced in the supercooled region. Among those, the second critical-point scenario has been investigated extensively, and at present most experimental evidence point to this scenario. Starting from very low temperatures, a coexistence line between a high-density amorphous phase and a low-density amorphous phase would continue in a coexistence line between a high-density and a low-density liquid phase terminating in a liquid-liquid critical point, LLCP. On approaching this LLCP from the one-phase region, a crossover in thermodynamics and dynamics can be found. This is discussed based on a picture of a temperature-dependent balance between a high-density liquid and a low-density liquid favored by, respectively, entropy and enthalpy, leading to a consistent picture of the thermodynamics of bulk water. Ice nucleation is also discussed, since this is what severely impedes experimental investigation of the vicinity of the proposed LLCP. Experimental investigation of stretched water, i.e., water at negative pressure, gives access to a different regime of the complex water diagram. Different ways to inhibit crystallization through confinement and aqueous solutions are

  9. Measuring the expressed abundance of the three phases of water with an imaging spectrometer over melting snow

    NASA Astrophysics Data System (ADS)

    Green, Robert O.; Painter, Thomas H.; Roberts, Dar A.; Dozier, Jeff

    2006-10-01

    From imaging spectrometer data, we simultaneously estimate the abundance of the three phases of water in an environment that includes melting snow, basing the analysis on the spectral shift in the absorption coefficient between water vapor, liquid water, and ice at 940, 980, and 1030 nm respectively. We apply a spectral fitting algorithm that measures the expressed abundance of the three phases of water to a data set acquired by the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) over Mount Rainier, Washington, on 14 June 1996. Precipitable water vapor varies from 1 mm over the summit of Mount Rainier to 10 mm over the lower valleys to the northwest. Equivalent path absorption of liquid water varies from 0 to 13 mm, with the zero values over rocky areas and high-elevation snow and the high values associated with liquid water held in vegetation canopies and in melting snow. Ice abundance varies from 0 to 30 mm equivalent path absorption in the snow- and glacier-covered portions of Mount Rainier. The water and ice abundances are related to the amount of liquid water and the sizes of the ice grains in the near-surface layer. Precision of the estimates, calculated over locally homogeneous areas, indicates an uncertainty of better than 1.5% for all three phases, except for liquid water in vegetation, where an optimally homogeneous site was not found. The analysis supports new strategies for hydrological research and applications as imaging spectrometers become more available.

  10. Static heterogeneities in liquid water

    NASA Astrophysics Data System (ADS)

    Stanley, H. Eugene; Buldyrev, Sergey V.; Giovambattista, Nicolas

    2004-10-01

    The thermodynamic behavior of water seems to be closely related to static heterogeneities. These static heterogeneities are related to the local structure of water molecules, and when properly characterized, may offer an economical explanation of thermodynamic data. The key feature of liquid water is not so much that the existence of hydrogen bonds, first pointed out by Linus Pauling, but rather the local geometry of the liquid molecules is not spherical or oblong but tetrahedral. In the consideration of static heterogeneities, this local geometry is critical. Recent experiments suggested more than one phase of amorphous solid water, while simulations suggest that one of these phases is metastable with respect to another, so that in fact there are only two stable phases.

  11. Bringing abundance into environmental politics: Constructing a Zionist network of water abundance, immigration, and colonization.

    PubMed

    Alatout, Samer

    2009-06-01

    For more than five decades, resource scarcity has been the lead story in debates over environmental politics. More importantly, and whenever environmental politics implies conflict, resource scarcity is constructed as the culprit. Abundance of resources, if at all visited in the literature, holds less importance. Resource abundance is seen, at best, as the other side of scarcity--maybe the successful conclusion of multiple interventions that may turn scarcity into abundance. This paper reinstates abundance as a politico-environmental category in its own right. Rather than relegating abundance to a second-order environmental actor that matters only on occasion, this paper foregrounds it as a crucial element in modern environmental politics. On the substantive level, and using insights from science and technology studies, especially a slightly modified actor-network framework, I describe the emergence and consolidation of a Zionist network of abundance, immigration, and colonization in Palestine between 1918 and 1948. The essential argument here is that water abundance was constructed as fact, and became a political rallying point around which a techno-political network emerged that included a great number of elements. To name just a few, the following were enrolled in the service of such a network: geologists, geophysicists, Zionist settlement experts, Zionist organizations, political and technical categories of all sorts, Palestinians as the negated others, Palestinian revolts in search of political rights, the British Mandate authorities, the hydrological system of Palestine, and the absorptive capacity of Palestine, among others. The point was to successfully articulate these disparate elements into a network that seeks opening Palestine for Jewish immigration, redefining Palestinian geography and history through Judeo-Christian Biblical narratives, and, in the process, de-legitimizing political Palestinian presence in historic Palestine.

  12. The abundance and isotopic composition of water in eucrites

    NASA Astrophysics Data System (ADS)

    Barrett, T. J.; Barnes, J. J.; TartèSe, R.; Anand, M.; Franchi, I. A.; Greenwood, R. C.; Charlier, B. L. A.; Grady, M. M.

    2016-06-01

    Volatile elements play a key role in the dynamics of planetary evolution. Extensive work has been carried out to determine the abundance, distribution, and source(s) of volatiles in planetary bodies such as the Earth, Moon, and Mars. A recent study showed that the water in apatite from eucrites has similar hydrogen isotopic compositions compared to water in terrestrial rocks and carbonaceous chondrites, suggesting that water accreted very early in the inner solar system given the ancient crystallization ages (~4.5 Ga) of eucrites. Here, the measurements of water (reported as equivalent H2O abundances) and the hydrogen isotopic composition (δD) of apatite from five basaltic eucrites and one cumulate eucrite are reported. Apatite H2O abundances range from ~30 to ~3500 ppm and are associated with a weighted average δD value of -34 ± 67‰. No systematic variations or correlations are observed in H2O abundance or δD value with eucrite geochemical trend or metamorphic grade. These results extend the range of previously published hydrogen isotope data for eucrites and confirm the striking homogeneity in the H-isotopic composition of water in eucrites, which is consistent with a common source for water in the inner solar system.

  13. Rapid Variability of Water Vapor Abundance in the Venus Mesosphere

    NASA Astrophysics Data System (ADS)

    Gurwell, Mark A.; Melnick, G. J.; Tolls, V.; Bergin, E. A.; Patten, B. M.

    2006-09-01

    We present the first detections of the water vapor ground-state rotational transition (at 556.9 GHz) and the 13CO(5-4) rotational transition (at 550.9 GHz) from the atmosphere of Venus, obtained with the Submillimeter Wave Astronomy Satellite (SWAS). These submillimeter transitions originate primarily from the 70-100 km altitude range, within the Venus mesosphere. Observations were obtained in December 2002, and January, March, and July 2004, coarsely sampling one Venus diurnal period as seen from Earth. Complementary observations of the 12CO(2-1) rotational transition (at 230.5 GHz) were obtained concurrently with the Submillimeter Array (SMA) to help constrain global atmospheric parameters. The water vapor absorption line depth shows large variability among the four observing periods, with strong detections of the water line in December 2002 and July 2004, and no detections in January and March of 2004. Using a multi-transition inversion algorithm (combining temperature, carbon monoxide, and water profile retrieval under some constraints), we retrieved or found upper limits for the globally averaged mesospheric water vapor abundance for each period, finding variability over at least two orders of magnitude. The results are consistent with both temporal and diurnal variability, but with short-term fluctuations clearly dominating. The observations from December 2002 detected very rapid changes in water vapor abundance. Over five days, a deep ground-state water absorption feature consistent with a water abundance of 4.5±1.5 ppm suddenly gave way to a significantly shallower absorption, implying a decrease in the water abundance by a factor of nearly 50 in less than 48 hours. In 2004 similar changes in water vapor abundance are seen between the March and July SWAS observing periods, but variability on timescales of less than a week was not detected. M.A.G. gratefully acknowledges support from NASA contract NAG5-7946. G.J.M., V.T., E.A.B, and B.M.P. were supported by

  14. Mars atmospheric water vapor abundance: 1996-1997

    NASA Astrophysics Data System (ADS)

    Sprague, A. L.; Hunten, D. M.; Doose, L. R.; Hill, R. E.

    2003-05-01

    Measurements of martian atmospheric water vapor made throughout Ls = 18.0°-146.4° (October 3, 1996-July 12, 1997) show changes in Mars humidity on hourly, daily, and seasonal time scales. Because our observing program during the 1996-1997 Mars apparition did not include concomitant measurement of nearby CO 2 bands, high northern latitude data were corrected for dust and aerosol extinction assuming an optical depth of 0.8, consistent with ground-based and HST imaging of northern dust storms. All other measurements with airmass greater than 3.5 were corrected using a total optical depth of 0.5. Three dominant results from this data set are as follows: (1) pre- and post-opposition measurements made with the slit crossing many hours of local time on Mars' Earth-facing disk show a distinct diurnal pattern with highest abundances around and slightly after noon with low abundances in the late afternoon, (2) measurements of water vapor over the Mars Pathfinder landing site (Carl Sagan Memorial Station) on July 12, 1997, found 21 ppt μm in the spatial sector centered near 19° latitude, 36° longitude while abundances around the site varied from as low as 6 to as high as 28 ppt μm, and (3) water vapor abundance is patchy on hourly and daily time scales but follows the usual seasonal trends.

  15. Density Fluctuations in Liquid Water

    NASA Astrophysics Data System (ADS)

    English, Niall J.; Tse, John S.

    2011-01-01

    The density distributions and fluctuations in grids of varying size in liquid water at ambient pressure, both above the freezing point and in the supercooled state, are analyzed from the trajectories obtained from large-scale molecular dynamics simulations. It is found that the occurrence of low- and high-density regions (LDL and HDL) is transient and their respective residence times are dependent on the size of the simulated system. The spatial extent of density-density correlation is found to be within 7 Å or less. The temporal existence of LDL and HDL arises as a result of natural density fluctuations of an equilibrium system. The density of bulk water at ambient conditions is homogenous.

  16. Geomorphologic evidence for liquid water

    USGS Publications Warehouse

    Masson, P.; Carr, M.H.; Costard, F.; Greeley, R.; Hauber, E.; Jaumann, R.

    2001-01-01

    Besides Earth, Mars is the only planet with a record of resurfacing processes and environmental circumstances that indicate the past operation of a hydrologic cycle. However the present-day conditions on Mars are far apart of supporting liquid water on the surface. Although the large-scale morphology of the Martian channels and valleys show remarkable similarities with fluid-eroded features on Earth, there are major differences in their size, small-scale morphology, inner channel structure and source regions indicating that the erosion on Mars has its own characteristic genesis and evolution. The different landforms related to fluvial, glacial and periglacial activities, their relations with volcanism, and the chronology of water-related processes, are presented.

  17. Water Vapour Abundance and Distribution in the Lower Venusian Atmosphere

    NASA Astrophysics Data System (ADS)

    Chamberlain, S.; Bailey, J.

    2012-04-01

    We present ground-based observations and modelling studies of water vapour abundance and distribution in the Venusian lower atmosphere through analysis of absorption band depths within the 1.18 μm window. The lower atmosphere of Venus is difficult to study by both in situ and remote instruments. This is due to the planet wide cloud cover that obscures visual wavelengths and surface pressures approaching 100 times that of the Earth. In 1984 ground based observations resulted in the discovery of atmospheric windows on the Venusian nightside (Allen and Crawford, 1984). Here, near infrared radiation originating at the surface and lower atmosphere, pass relatively unimpeded through the Venus clouds. This discovery enabled remote studies of the Venusian subcloud region. Determining the abundance and distribution of water vapour is key to understanding the development, maintenance and links between major radiative and dynamical features of the Venus atmosphere. Water vapour in the lower atmosphere plays an important role in heat transfer and is pertinent to the runaway greenhouse effect and dynamical superrotation observed on Venus. Detailed studies of water vapour abundance and distribution throughout the lower atmosphere of Venus are therefore needed in order to develop accurate chemical, radiative and dynamical models. Ground-based spatially resolved near infrared spectroscopic observations of the Venusian nightside have been obtained from Siding Spring Observatory at each inferior conjunction since 2002. Observations have been made using the IRIS2 instrument on the Anglo-Australian Telescope and CASPIR on the 2.3m ANU telescope. The model VSTAR (Bailey and Kedziora-Chudczer 2012) is used to simulate the observed Venus spectra as seen through the Earth's atmosphere and best fit water vapour abundances are found for approximately 300 locations across the Venus nightside disk. Recent improvements in ground-based near-infrared instruments allow a substantial improvement

  18. Depolarization of water in protic ionic liquids.

    PubMed

    Zahn, Stefan; Wendler, Katharina; Delle Site, Luigi; Kirchner, Barbara

    2011-09-07

    A mixture of the protic ionic liquid mono-methylammonium nitrate with 1.6 wt% water was investigated from Car-Parrinello molecular dynamics simulations. In contrast to imidazolium-based ionic liquids, the cation possesses strong directional hydrogen bonds to water and all hydrogen bonds in the mixture have a comparable strength. This results in a good incorporation of water into the hydrogen bond network of mono-methylammonium nitrate and a tetrahedral hydrogen bond coordination of water. Hence, one might expect a larger dipole moment of water in the investigated mixture compared to neat water due to the good hydrogen bond network incorporation and the charged vicinity of water in the protic ionic liquid. However, the opposite is observed pointing to strong electrostatic screening in protic ionic liquids. Additionally, the influence of water on the properties of the protic ionic liquid is discussed.

  19. Raman lidar observations of cloud liquid water.

    PubMed

    Rizi, Vincenzo; Iarlori, Marco; Rocci, Giuseppe; Visconti, Guido

    2004-12-10

    We report the design and the performances of a Raman lidar for long-term monitoring of tropospheric aerosol backscattering and extinction coefficients, water vapor mixing ratio, and cloud liquid water. We focus on the system's capabilities of detecting Raman backscattering from cloud liquid water. After describing the system components, along with the current limitations and options for improvement, we report examples of observations in the case of low-level cumulus clouds. The measurements of the cloud liquid water content, as well as the estimations of the cloud droplet effective radii and number densities, obtained by combining the extinction coefficient and cloud water content within the clouds, are critically discussed.

  20. Upper limits to the water abundance in starburst galaxies

    NASA Astrophysics Data System (ADS)

    Wilson, C. D.; Booth, R. S.; Olofsson, A. O. H.; Olberg, M.; Persson, C. M.; Sandqvist, Aa.; Hjalmarson, Â.; Buat, V.; Encrenaz, P. J.; Fich, M.; Frisk, U.; Gerin, M.; Rydback, G.; Wiklind, T.

    2007-07-01

    Aims:We have searched for emission from the 557 GHz ortho-water line in the interstellar medium of six nearby starburst galaxies. Methods: We used the Odin satellite to observe the 110{-}101 transition of o-H2O in the galaxies NGC 253, IC 342, M 82, NGC 4258, CenA, and M 51. None of the galaxies in our sample was detected. Results: We derive three sigma upper limits to the H2O abundance relative to H2 ranging from 2×10-9 to 1×10-8. The best of these upper limits are comparable to the measured abundance of H2O in the Galactic star forming region W3. However, if only 10% of the molecular gas is in very dense cores, then the water abundance limits in the cores themselves would be larger by a factor of 10 i.e. 2×10-8 to 1×10-7. Conclusions: These observations suggest that detections of H2O emission in galaxies with the upcoming Herschel Space Observatory are likely to require on-source integration times of an hour or more except in the very brightest extragalactic targets such as M 82 and NGC 253. Based on observations with Odin, a Swedish-led satellite project funded jointly by the Swedish National Space Board (SNSB), the Canadian Space Agency (CSA), the National Technology Agency of Finland (Tekes) and Centre National d'Etude Spatiale (CNES). The Swedish Space Corporation has been the industrial prime contractor and also is operating the satellite.

  1. Water abundance and accretion history of terrestrial planets

    NASA Technical Reports Server (NTRS)

    Waenke, H.; Dreibus, G.

    1994-01-01

    According to a widespread believe, Earth's water was either added in form of a late volatile-rich veneer or as we have argued repeatedly that of all the water which was added to the Earth only that portion remained which was added towards the end of accretion when the mean oxygen fugacity of the accreting material became so high that metallic iron could not exist any longer. Prior to this moment, all the water in the latter scenario would have been used up for the oxidation of iron. Fe + H2O yields FeO + H2. Huge quantities of hydrogen would continuously be produced in this scenario which escaped. In the same moment the hydrogen on its way to the surface would lead to an efficient degassing of the growing Earth's mantle. The fact that - assuming C1 abundances - the amount of iridium in the Earth's mantle agrees, within a factor of two with the total water inventory of the Earth's mantle and crust is taken as evidence for the validity of such a scenario. In both scenarios, the Earth's mantle would remain dry and devoid of other volatiles. Some species soluble in metallic iron like carbon and hydrogen will probably partly enter the core in some portions. It is generally assumed that today a considerable portion of the earth's total water inventory resides in the mantle. It is also clear that over the history of the Earth the water of the Earth's oceans has been recycled many times through the mantle. This is the consequence of plate subduction. In a similar way mantle convection was probably responsible to being water into the originally dry mantle. As a consequence, today the Earth is wet both inside and outside.

  2. Dipolar correlations in liquid water

    SciTech Connect

    Zhang, Cui; Galli, Giulia

    2014-08-28

    We present an analysis of the dipolar correlations in water as a function of temperature and density and in the presence of simple ionic solutes, carried out using molecular dynamics simulations and empirical potentials. We show that the dipole-dipole correlation function of the liquid exhibits sizable oscillations over nanodomains of about 1.5 nm radius, with several isosbestic points as a function of temperature; the size of the nanodomains is nearly independent on temperature and density, between 240 and 400 K and 0.9 and 1.3 g/cm{sup 3}, but it is substantially affected by the presence of solvated ions. In the same range of thermodynamic conditions, the decay time (τ) of the system dipole moment varies by a factor of about 30 and 1.5, as a function of temperature and density, respectively. At 300 K, we observed a maximum in τ as a function of density, and a corresponding shallow maximum in the tetrahedral order parameter, in a range where the diffusion coefficient, the pressure and the dielectric constant increase monotonically.

  3. Europa's Water Vapor Plumes: Systematically Constraining their Abundance and Variability

    NASA Astrophysics Data System (ADS)

    Roth, Lorenz

    2014-10-01

    The discovery of transient water vapor plumes near Europa's south pole (Roth et al. 2014) has important implications for the search for life in our Solar System. Europa's subsurface water ocean is thought to provide all the ingredients needed for a habitable environment. The plumes might enable direct sampling of Europa's subsurface constituents and provide insights into the chemistry, mobility, and extent of the liquid water environments. In STIS spectral images obtained in Dec. 2012, the intensity ratios of atomic H and O auroral emissions uniquely identify the source as electron impact excitation of water molecules. However, a confirmation of the initial detection has not yet been achieved, and non-detections from four out of five previous such visits suggest a complex and possibly episodic variation in plume activity. We have identified five potential variability sources for plume activity and detectability and propose a focused program to systematically constrain Europa's plumes and their variability pattern. Our constraints for the plume activity on Europa are vital inputs for key programmatic decisions regarding NASA's next large mission to Europa.

  4. Assessment of Atmospheric Water Vapor Abundance Above RSL Locations on Mars

    NASA Astrophysics Data System (ADS)

    Berdis, Jodi R.; Murphy, Jim; Wilson, Robert John

    2016-10-01

    The possible signatures of atmospheric water vapor arising from Martian Recurring Slope Lineae (RSLs)1 are investigated. These RSLs appear during local spring and summer on downward slopes, and have been linked to liquid water which leaves behind streaks of briny material. Viking Orbiter Mars Atmospheric Water Detector (MAWD)2 and Mars Global Surveyor (MGS) Thermal Emission Spectrometer (TES)3-5 derived water vapor abundance values are interrogated to determine whether four RSL locations at southern mid-latitudes (Palikir Crater, Hale Crater, Horowitz Crater, and Coprates Chasma) exhibit episodic enhanced local water vapor abundance during southern summer solstice (Ls = 270°) and autumnal equinox (Ls = 360°) when RSLs are observed to develop6,7. Any detected atmospheric water vapor signal would expand upon current knowledge of RSLs, while non-detection would provide upper limits on RSL water content. Viking Orbiter Infrared Thermal Mapper (IRTM) and MGS TES derived temperature values are also investigated due to the appearance of active RSLs after the surface temperature of the slopes exceeds 250 K1.A high spatial resolution Martian atmospheric numerical model will be employed to assess the magnitude and temporal duration of water vapor content that might be anticipated in response to inferred RSL surface water release. The ability of past and future orbiter-based instruments to detect such water vapor quantities will be assessed.References1. McEwen, A. et al. 2011, Sci., 333, 7402. Jakosky, B. & Farmer, C. 1982, JGR, 87, 29993. Christensen, P. et al. 1992, JGR, 97, 77194. Christensen, P. et al. 2001, JGR, 106, 238235. Smith, M. 2002, JGR, 107, 51156. Ojha, L. et al. 2015, Nature Geosci., 8, 8297. Stillman, D. et al. 2014, Icarus, 233, 328

  5. Abundance and distribution of Legionellaceae in Puerto Rican waters.

    PubMed Central

    Ortiz-Roque, C M; Hazen, T C

    1987-01-01

    Waters in marine and freshwater areas of Puerto Rico were analyzed for the presence of Legionella spp. by direct fluorescent antibody assay with guinea pig confirmation. Several species, including L. bozemanii, L. dumoffii, L. gormanii, L. longbeachae, L. micdadei, and L. pneumophila, were widely distributed among all sites. Legionellaceae, including L. pneumophila, were found in high densities in water collected in the rain forest from epiphytes in trees 30 ft. (about 9.25 m) above the ground. Both interspecific and intersite variations were significant. L. pneumophila was the most abundant species at all sites, with average densities of 10(4) cells ml-1, very close to the range which is potentially pathogenic for humans. Densities of L. pneumophila were highest in sewage-contaminated coastal waters. These are the highest densities of Legionella spp. ever reported for marine habitats. Densities of L. pneumophila were positively correlated with concentrations of sulfates, phosphates, and pH. A survey of 88 fatal atypical pneumonia cases at a Puerto Rico hospital showed that 15% of the patients had L. pneumophila infections. This study establishes L. pneumophila as a relatively common cause of atypical pneumonia in Puerto Rico and suggests natural aquatic habitats as possible sources or reservoirs of pathogenic Legionella spp. in the tropics. Images PMID:3314710

  6. Mapping Protein Abundance Patterns in the Brain Using Voxelation Combined with Liquid Chromatography and Mass Spectrometry

    PubMed Central

    Petyuk, Vladislav A.; Qian, Wei-Jun; Smith, Richard D.; Smith, Desmond J.

    2009-01-01

    Voxelation creates expression atlases by high-throughput analysis of spatially registered cubes or voxels harvested from the brain. The modality independence of voxelation allows a variety of bioanalytical techniques to be used to map abundance. Protein expression patterns in the brain can be obtained using liquid chromatography (LC) combined with mass spectrometry (MS). Here we describe the methodology of voxelation as it pertains particularly to LC-MS proteomic analysis: sample preparation, instrumental set up and analysis, peptide identification and protein relative abundance quantitation. We also briefly describe some of the advantages, limitations and insights into the brain that can be obtained using combined proteomic and transcriptomic maps. PMID:19654045

  7. Mapping protein abundance patterns in the brain using voxelation combined with liquid chromatography and mass spectrometry

    SciTech Connect

    Petyuk, Vladislav A.; Qian, Weijun; Smith, Richard D.; Smith, Desmond J.

    2010-02-01

    Voxelation creates expression atlases by high-throughput analysis of spatially registered cubes or voxels harvested from the brain. The modality independence of voxelation allows a variety of bioanalytical techniques to be used to map abundance. Protein expression patterns in the brain can be obtained using liquid chromatography (LC) combined with mass spectrometry (MS). Here we describe the methodology of voxelation as it pertains particularly to LC-MS proteomic analysis: sample preparation, instrumental set up and analysis, peptide identification and protein relative abundance quantitation. We also briefly describe some of the advantages, limitations and insights into the brain that can be obtained using combined proteomic and transcriptomic maps

  8. Abundance and Utility: For Military Operations, Liquid Fuels Remain a Solid Choice over Natural Gas

    DTIC Science & Technology

    2014-08-01

    and combat support vehicles, ships, and aircraft, the adoption of natural gas —whether as compressed natural gas (CNG) or liquefied natural gas (LNG...tacticaldefensemedia.com16 | DoD Power & Energy Fall 2014 For Military Operations, Liquid Fuels Remain a Solid Choice over Natural Gas By Bret...Strogen and Patrick Lobner Abundance and Utility Fueling the Force Natural Gas M ilitary energy strategists often recount the British Royal Navy’s decision

  9. Photoresponsive liquid marbles and dry water.

    PubMed

    Tan, Tristan Tsai Yuan; Ahsan, Aniq; Reithofer, Michael R; Tay, Siok Wei; Tan, Sze Yu; Hor, Tzi Sum Andy; Chin, Jia Min; Chew, Benny Kia Jia; Wang, Xiaobai

    2014-04-01

    Stimuli-responsive liquid marbles for controlled release typically rely on organic moieties that require lengthy syntheses. We report herein a facile, one-step synthesis of hydrophobic and oleophobic TiO2 nanoparticles that display photoresponsive wettability. Water liquid marbles stabilized by these photoresponsive TiO2 particles were found to be stable when shielded from ultraviolet (UV) radiation; however, they quickly collapsed after being irradiated with 302 nm UV light. Oil- and organic-solvent-based liquid marbles could also be fabricated using oleophobic TiO2 nanoparticles and show similar UV-induced collapse. Finally, we demonstrated the formation of the micronized form of water liquid marbles, also known as dry water, by homogenization of the TiO2 nanoparticles with water. The TiO2 dry water displayed a similar photoresponse, whereby the micronized liquid marbles collapsed after irradiation and the dry water turned from a free-flowing powder to a paste. Hence, by exploiting the photoresponsive wettability of TiO2, we fabricated liquid marbles and dry water that display photoresponse and studied the conditions required for their collapse.

  10. Global Cloud Liquid Water Path Simulations(.

    NASA Astrophysics Data System (ADS)

    Lemus, Lilia; Rikus, Lawrie; Martin, C.; Platt, R.

    1997-01-01

    A new parameterization of cloud liquid water and ice content has been included in the Bureau of Meteorology Global Assimilation and Prediction System. The cloud liquid water content is derived from the mean cloud temperatures in the model using an empirical relationship based on observations. The results from perpetual January and July simulations are presented and show that the total cloud water path steadily decreases toward high latitudes, with two relative maxima at midlatitudes and a peak at low latitudes. To validate the scheme, the simulated fields need to be processed to produce liquid water paths that can be directly compared with the corresponding field derived from Special Sensor Microwave/Imager (SSM/I) data. This requires the identification of cloud ice water content within the parameterization and a prescription to account for the treatment of strongly precipitating subgrid-scale cloud. The resultant cloud liquid water paths agree qualitatively with the SSM/I data but show some systematic errors that are attributed to corresponding errors in the model's simulation of cloud amounts. Given that a more quantitative validation requires substantial improvement in the model's diagnostic cloud scheme, the comparison with the SSM/I data indicates that the cloud water path, derived from the cloud liquid water content parameterization introduced in this paper, is consistent with the observations and can be usefully incorporated in the prediction system.

  11. Are There Two Forms of Liquid Water?

    NASA Astrophysics Data System (ADS)

    Stanley, H. E.

    We will introduce some of the 73 documented anomalies of the most complex of liquids, water--focusing on recent progress in understanding these anomalies by combining information provided by recent experiments and simulations on water in bulk, nanoconfined and biological environments designed to test the hypothesis that liquid water has behavior consistent with the novel phenomenon of ``liquid polymorphism'' in that water can exist in two distinct phases [1]. We will also discuss very recent work on nanoconfined water anomalies as well as the apparently related, and highly unusual, behavior of water in biological environments. Finally, we will discuss how the general concept of liquid polymorphism is proving useful in understanding anomalies in other liquids, such as silicon, silica, and carbon, as well as metallic glasses, which have in common that they are characterized by two characteristic length scales in their interactions.This work has been supported by the NSF Chemistry Division grant CHE-1213217 and was performed in collaboration with, among others, C. A. Angell, S. V. Buldyrev, S.-H. Chen, D. Corradini, P. G. Debenedetti, G. Franzese, P. Kumar, E. Lascaris, F. Mallamace, O. Mishima, P. H. Poole, S. Sastry, F. Sciortino, and L. Xu. H. E. Stanley, Editor, Liquid Polymorphism, Vol. 152 in Advances in Chemical Physics, S. A. Rice, Series Editor (Wiley, New York, 2013).

  12. Monitoring waterbird abundance in wetlands: The importance of controlling results for variation in water depth

    USGS Publications Warehouse

    Bolduc, F.; Afton, A.D.

    2008-01-01

    Wetland use by waterbirds is highly dependent on water depth, and depth requirements generally vary among species. Furthermore, water depth within wetlands often varies greatly over time due to unpredictable hydrological events, making comparisons of waterbird abundance among wetlands difficult as effects of habitat variables and water depth are confounded. Species-specific relationships between bird abundance and water depth necessarily are non-linear; thus, we developed a methodology to correct waterbird abundance for variation in water depth, based on the non-parametric regression of these two variables. Accordingly, we used the difference between observed and predicted abundances from non-parametric regression (analogous to parametric residuals) as an estimate of bird abundance at equivalent water depths. We scaled this difference to levels of observed and predicted abundances using the formula: ((observed - predicted abundance)/(observed + predicted abundance)) ?? 100. This estimate also corresponds to the observed:predicted abundance ratio, which allows easy interpretation of results. We illustrated this methodology using two hypothetical species that differed in water depth and wetland preferences. Comparisons of wetlands, using both observed and relative corrected abundances, indicated that relative corrected abundance adequately separates the effect of water depth from the effect of wetlands. ?? 2008 Elsevier B.V.

  13. Properties of Water Confined in Ionic Liquids

    PubMed Central

    Saihara, Koji; Yoshimura, Yukihiro; Ohta, Soichi; Shimizu, Akio

    2015-01-01

    The varying states of water confined in the nano-domain structures of typical room temperature ionic liquids (ILs) were investigated by 1H NMR and by measurements of self-diffusion coefficients while systematically varying the IL cations and anions. The NMR peaks for water in BF4-based ILs were clearly split, indicating the presence of two discrete states of confined water (H2O and HOD). Proton and/or deuterium exchange rate among the water molecules was very slowly in the water-pocket. Notably, no significant changes were observed in the chemical shifts of the ILs. Self-diffusion coefficient results showed that water molecules exhibit a similar degree of mobility, although their diffusion rate is one order of magnitude faster than that of the IL cations and anions. These findings provide information on a completely new type of confinement, that of liquid water in soft matter. PMID:26024339

  14. Liquid chromatographic determination of water

    DOEpatents

    Fortier, Nancy E.; Fritz, James S.

    1990-11-13

    A sensitive method for the determination of water in the presence of common interferences is presented. The detection system is based on the effect of water on the equilibrium which results from the reaction aryl aldehydes, such as cinnamaldehyde and methanol in the eluent to form cinnamaldehyde dimethylacetal, plus water. This equilibrium is shifted in a catalytic atmosphere of a hydrogen ion form past column reactor. The extent of the shift and the resulting change in absorbance are proportional to the amount of water present.

  15. Liquid chromatographic determination of water

    DOEpatents

    Fortier, N.E.; Fritz, J.S.

    1990-11-13

    A sensitive method for the determination of water in the presence of common interferences is presented. The detection system is based on the effect of water on the equilibrium which results from the reaction aryl aldehydes, such as cinnamaldehyde and methanol in the eluent to form cinnamaldehyde dimethylacetal, plus water. This equilibrium is shifted in a catalytic atmosphere of a hydrogen ion form past column reactor. The extent of the shift and the resulting change in absorbance are proportional to the amount of water present. 1 fig.

  16. Water Contaminant Mitigation in Ionic Liquid Propellant

    NASA Technical Reports Server (NTRS)

    Conroy, David; Ziemer, John

    2009-01-01

    Appropriate system and operational requirements are needed in order to ensure mission success without unnecessary cost. Purity requirements applied to thruster propellants may flow down to materials and operations as well as the propellant preparation itself. Colloid electrospray thrusters function by applying a large potential to a room temperature liquid propellant (such as an ionic liquid), inducing formation of a Taylor cone. Ions and droplets are ejected from the Taylor cone and accelerated through a strong electric field. Electrospray thrusters are highly efficient, precise, scaleable, and demonstrate low thrust noise. Ionic liquid propellants have excellent properties for use as electrospray propellants, but can be hampered by impurities, owing to their solvent capabilities. Of foremost concern is the water content, which can result from exposure to atmosphere. Even hydrophobic ionic liquids have been shown to absorb water from the air. In order to mitigate the risks of bubble formation in feed systems caused by water content of the ionic liquid propellant, physical properties of the ionic liquid EMI-Im are analyzed. The effects of surface tension, material wetting, physisorption, and geometric details of the flow manifold and electrospray emitters are explored. Results are compared to laboratory test data.

  17. Efficient electrolyzer for CO2 splitting in neutral water using earth-abundant materials.

    PubMed

    Tatin, Arnaud; Comminges, Clément; Kokoh, Boniface; Costentin, Cyrille; Robert, Marc; Savéant, Jean-Michel

    2016-05-17

    Low-cost, efficient CO2-to-CO+O2 electrochemical splitting is a key step for liquid-fuel production for renewable energy storage and use of CO2 as a feedstock for chemicals. Heterogeneous catalysts for cathodic CO2-to-CO associated with an O2-evolving anodic reaction in high-energy-efficiency cells are not yet available. An iron porphyrin immobilized into a conductive Nafion/carbon powder layer is a stable cathode producing CO in pH neutral water with 90% faradaic efficiency. It is coupled with a water oxidation phosphate cobalt oxide anode in a home-made electrolyzer by means of a Nafion membrane. Current densities of approximately 1 mA/cm(2) over 30-h electrolysis are achieved at a 2.5-V cell voltage, splitting CO2 and H2O into CO and O2 with a 50% energy efficiency. Remarkably, CO2 reduction outweighs the concurrent water reduction. The setup does not prevent high-efficiency proton transport through the Nafion membrane separator: The ohmic drop loss is only 0.1 V and the pH remains stable. These results demonstrate the possibility to set up an efficient, low-voltage, electrochemical cell that converts CO2 into CO and O2 by associating a cathodic-supported molecular catalyst based on an abundant transition metal with a cheap, easy-to-prepare anodic catalyst oxidizing water into O2.

  18. Efficient electrolyzer for CO2 splitting in neutral water using earth-abundant materials

    PubMed Central

    Tatin, Arnaud; Comminges, Clément; Kokoh, Boniface; Costentin, Cyrille; Robert, Marc; Savéant, Jean-Michel

    2016-01-01

    Low-cost, efficient CO2-to-CO+O2 electrochemical splitting is a key step for liquid-fuel production for renewable energy storage and use of CO2 as a feedstock for chemicals. Heterogeneous catalysts for cathodic CO2-to-CO associated with an O2-evolving anodic reaction in high-energy-efficiency cells are not yet available. An iron porphyrin immobilized into a conductive Nafion/carbon powder layer is a stable cathode producing CO in pH neutral water with 90% faradaic efficiency. It is coupled with a water oxidation phosphate cobalt oxide anode in a home-made electrolyzer by means of a Nafion membrane. Current densities of approximately 1 mA/cm2 over 30-h electrolysis are achieved at a 2.5-V cell voltage, splitting CO2 and H2O into CO and O2 with a 50% energy efficiency. Remarkably, CO2 reduction outweighs the concurrent water reduction. The setup does not prevent high-efficiency proton transport through the Nafion membrane separator: The ohmic drop loss is only 0.1 V and the pH remains stable. These results demonstrate the possibility to set up an efficient, low-voltage, electrochemical cell that converts CO2 into CO and O2 by associating a cathodic-supported molecular catalyst based on an abundant transition metal with a cheap, easy-to-prepare anodic catalyst oxidizing water into O2. PMID:27140621

  19. Viral abundance and distribution in mesopelagic and bathypelagic waters of the Mediterranean Sea

    NASA Astrophysics Data System (ADS)

    Magagnini, Mirko; Corinaldesi, Cinzia; Monticelli, Luis S.; De Domenico, Emilio; Danovaro, Roberto

    2007-08-01

    Despite the fact that marine viruses have been increasingly investigated in the last decade, knowledge on virus abundance, biomass and distribution in mesopelagic and bathypelagic waters is limited. We report here the results of a large-spatial-scale study (covering more than 3000 km) on the virioplankton distribution in epi-, meso- and bathypelagic waters in 19 areas of the Mediterranean Sea, from the Alboran Sea and Western Mediterranean, to the Tyrrhenian Sea, Sicily Channel and Ionian Sea. Integrated viral abundance in epipelagic waters was significantly higher than in deep-sea waters (on average, 2.4 vs. 0.5×10 12 viruses m -3). However, abundance of viruses in the deep-Mediterranean waters was the highest reported so far for deep seas worldwide (7.0 and 3.1×10 11 viruses m -3 in mesopelagic and bathypelagic waters, respectively) and their biomass accounted for 13-18% of total prokaryotic C biomass. The significant relationship between viral abundance and prokaryotic abundance and production in deep waters suggests that also deep-sea viruses are closely dependent on the abundance and metabolism of their hosts. Moreover, virus to prokaryote (and nucleoid-containing cell (NuCC)) abundance ratio increased with increasing depths suggesting that deep waters may represent optimal environments for viral survival or proliferation. Overall, our results indicate that deep waters may represent a significant reservoir of viruses and open new perspectives for future investigations of viral impact on the functioning of meso-bathypelagic ecosystems.

  20. Determination of the deuterium abundances in water from 156 to 10,000 ppm by SIFT-MS.

    PubMed

    Španěl, Patrik; Shestivska, Violetta; Chippendale, Thomas W E; Smith, David

    2011-01-01

    In response to a need for the measurement of the deuterium (D) abundance in water and aqueous liquids exceeding those previously recommended when using flowing afterglow mass spectrometry (FA-MS) and selected ion flow tube mass spectrometry (SIFT-MS) (i.e. 1000 parts per million, ppm), we have developed the theory of equilibrium isotopic composition of the product ions on which these analytical methods are based to encompass much higher abundances of D in water up to 10,000 ppm (equivalent to 1%). This has involved an understanding of the number density distributions of the H, D, (16)O, (17)O and (18)O isotopes in the isotopologues of H(3)O(+)(H(2)O)(3) hydrated ions (i.e. H(9)O (4) (+) cluster ions) at mass-to-charge ratios (m/z) of 73, 74 and 75, the relative ion number densities of which represent the basis of FA-MS and SIFT-MS analyses of D abundance. Specifically, an extended theory has been developed that accounts for the inclusion of D atoms in the m/z 75 ions, which increasingly occurs as D abundance in the water is increased, and which is used as a reference signal for the m/z 74 ions in the measurement of D abundance. In order to investigate the efficacy of this theory, experimental measurements of deuterium abundance in standard mixtures were made by the SIFT-MS technique using two similar instruments and the results compared with the theory. It is demonstrated that the parameterization of experimental data can be used to formulate a simple calculation algorithm for real-time SIFT-MS measurements of D abundance to an accuracy of 1% below 1000 ppm and degrades to about 2% at 10,000 ppm.

  1. Liquid-liquid phase transitions and water-like anomalies in liquids

    NASA Astrophysics Data System (ADS)

    Lascaris, Erik

    In this thesis we employ computer simulations and statistical physics to understand the origin of liquid-liquid phase transitions and their relationship with anomalies typical of liquid water. Compared with other liquids, water has many anomalies. For example the density anomaly: when water is cooled below 4 °C the density decreases rather than increases. This and other anomalies have also been found to occur in a few other one-component liquids, sometimes in conjunction with the existence of a liquid-liquid phase transition (LLPT) between a low-density liquid (LDL) and a high-density liquid (HDL). Using simple models we explain how these anomalies arise from the presence of two competing length scales. As a specific example we investigate the cut ramp potential, where we show the importance of "competition" in this context, and how one length scale can sometimes be zero. When there is a clear energetic preference for either LDL or HDL for all pressures and temperatures, then there is insufficient competition between the two liquid structures and no anomalies occur. From the simple models it also follows that anomalies can occur without the presence of a LLPT and vice versa. It remains therefore unclear if water has a LLPT that ends in a liquid-liquid critical point (LLCP), a hypothesis that was first proposed based on simulations of the ST2 water model. We confirm the existence of a LLCP in this model using finite size scaling and the Challa-Landau-Binder parameter, and show that the LLPT is not a liquid-crystal transition, as has recently been suggested. Previous research has indicated the possible existence of a LLCP in liquid silica. We perform a detailed analysis of two different silica models (WAC and BKS) at temperatures much lower than was previously simulated. Within the accessible temperature range we find no LLCP in either model, although in the case of WAC potential it is closely approached. We compare our results with those obtained for other

  2. Fluorescence instrument for in situ monitoring of viral abundance in water, wastewater and recycled water.

    PubMed

    Pollard, Peter C

    2012-04-01

    In a world of advanced molecular methods quantifying viruses in water remains one of the most inefficient and costly. Using a general molecular DNA/RNA probe - SYBR Gold combined with differential filtration a fast, cost effective and sensitive method is presented to determine the concentration of viruses in water in situ or on-line. The approach differentiates the nucleotide size fractions that are stained with SYBR Gold to show only those associated with Viral DNA and RNA. There was a linear relationship between the fluorescence maxima for SYBR Gold added to wastewater and viral numbers determined with direct counting using epifluorescent microscopy (r(2)=0.97) and for a range of diverse natural water samples (r(2)=0.86). The method was applied to water from the tropics and Antarctica, marine and freshwater environments where natural viral abundances ranged from 10(6) to 10(8) virusesmL(-1). The method takes into account the background fluorescence that represented 70% of total fluorescence and any auto-fluorescence due to other dissolved organic carbon. While DNAse II lowered the background fluorescence associated with free DNA and RNA it could not be eliminated. The technique presented is suitable for monitoring in situ viral numbers in natural water bodies and engineered water treatment processes. This on-line viral monitoring design has the potential to replace human viral pathogen indicators.

  3. [Construction of a two-dimensional liquid chromatography separation system for high abundance proteins depletion in human plasma].

    PubMed

    Zhu, Shaochun; Zhang, Xueyang; Gao, Mingxia; Yan, Guoquan; Zhang, Xiangmin

    2011-09-01

    High abundance proteins existing in human plasma severely impede the detection of low abundance proteins. This is one of the most difficult problems encountered in plasma proteomics research. We developed a two-dimensional liquid chromatography system with strong anion exchange chromatography-reversed-phase liquid chromatography (SAX-RPLC) for the extensive separation of plasma proteins and selective depletion of high abundance proteins. TSKgel SuperQ-5PW was selected as the first dimensional separation column for crude human plasma fractionation and Jupiter C4 column was selected as the second dimensional separation column. Separation gradients of the two-dimensional liquid chromatography system were optimized to ensure an extensive separation of plasma proteins. Ten peaks with high signal intensities ( >20 mAU) at 215 nm during the second dimensional separation were collected and identified by liquid chromatography-tandem mass spectrometry (LC-MS/MS). As a result, 32 proteins, all of which were reported to be high abundance proteins in plasma, including human serum albumin (HSA), immunoglobulin G (IgG) and so on were successfully identified. This system provides an effective method for future depletion of more high abundance proteins and in-depth research in human plasma proteomics.

  4. Liquid water habitats on early Mars

    NASA Technical Reports Server (NTRS)

    Mckay, Christopher P.; Davis, Wanda L.

    1992-01-01

    Although the Viking results may indicate that Mars has no life today, the possibility exists that Mars may hold the best record of the events that led to the origin of life. There is direct geomorphological evidence that in the past Mars had large amounts of liquid water on its surface. Atmospheric models would suggest that this early period of hydrological activity was due to the presence of a thick atmosphere and the resulting warmer temperatures. From a biological perspective the existence of liquid water by itself motivates the question of the origin of life on Mars. From studies of the Earth's earliest biosphere, we know that by 3.5 Gyr ago life had originated on Earth and reached a fair degree of biological sophistication. Surface activity and erosion on Earth make it difficult to trace the history of life before the 3.5 Gyr timeframe. If Mars did maintain a clement environment for longer than it took for life to originate on Earth, then the question of the origin of life on Mars follows naturally. Based upon simple models of the evolution of the Martian climate, we divide the history of liquid water habitats on the Martian surface into four epochs based upon the atmospheric temperature and pressure.

  5. Photoelectron Emission Spectroscopy of Liquid Water.

    DTIC Science & Technology

    1981-04-01

    correlated to solvation free energies for H2O+(aq) and OH (aq)., DD ,FO*M 1473 EDITIOOF INOV so iS OBSOLETE Unclassified SECURITY CLASSIFICATION OF THIS PAGE...Photoelectron spectroscopy Reorganization free energy Water, liquid 20. ABSTRACT (Chlnw am ef We, aid* it nooe"mr and 1iEru’h hr 190k le 6) The threshold... energy Et a 10.06 eV (0.002 @V standard deviation) is detemined for phot~oelectron emission by litquid water and is correlated with Et a 8.45 eV for

  6. Pacific Mole Crab (Emerita analoga) Abundance in Correlation with Waste Water Effluence

    NASA Astrophysics Data System (ADS)

    Sun, L.; Dangerfield, L.; Minor, D.; Subedar, R.

    2012-12-01

    Previous studies have shown that pollutants such as ammonia and copper have had negative effects on marine invertebrate lifecycles. Along the Pacific Coast of California, a filter feeding invertebrate, the Pacific mole crab, Emerita analoga, is exposed to such pollutants regularly. In San Francisco, habitats for populations of Pacific mole crabs are located near the Oceanside Water Pollution Control Plant, which dumps waste water 4.5 miles off the coast. Due to this disturbance at the south end of Ocean Beach, we hypothesize that there is a negative correlation between the abundance of mole crabs and the levels of copper, zinc and ammonia in sewage released from the Oceanside plant each year. By analyzing four years of Pacific mole crab abundance data and utilizing yearly waste water discharge figures, we found that there is a slight negative correlation (-0.67057) between mole crab abundances and the total amount of waste water being released annually. The amount of copper released from 2007-2010 and the abundance of E. analoga also has a slight negative correlation (-0.6714). The correlation between Pacific mole crab abundance and the total amount of zinc is also a slightly negative (-0.48434). However, the correlation between the abundance of mole crabs and total amount of ammonia released is positive (0.4497). Further data are needed to ascertain the relationship between the abundance of the Pacific mole crab and the amount of pollutants released from nearby waste water treatment plants.

  7. Separation of THF and water by room temperature ionic liquids.

    PubMed

    Hu, X; Yu, J; Liu, H

    2006-01-01

    Liquid-liquid equilibrium data are presented for mixtures of 1-(2-hydroxyethyl)-3-methylimidazolium chloride or tetrafluoroborate + tetrahydrofuran(THF) + water at 293.15 K. The data presented provides a valuable insight into how the environmentally friendly ionic liquid solvent can have the separation power of THF-water azeotropic systems. The sloping of the tie lines towards the THF vertex is investigated for mixtures of 1-(2-hydroxyethyl)-3-methylimidazolium chloride (or tetrafluoroborate) + THF + water. Selectivity values, derived from the tie line data, indicate that these two ionic liquids are suitable solvents for the liquid-liquid extraction of water from THF.

  8. Liquid water and active resurfacing on Europa

    NASA Technical Reports Server (NTRS)

    Squyres, S. W.; Reynolds, R. T.; Cassen, P. M.; Peale, S. J.

    1983-01-01

    Arguments for recent resurfacing of Europa by H2O from a liquid layer are presented, based on new interpretations of recent spacecraft and earth-based observations and revised theoretical calculations. The heat flow in the core and shell due to tidal forces is discussed, and considerations of viscosity and convection in the interior are found to imply water retention in the outer 60 km or so of the silicates, forming a layer of water/ice many tens of km thick. The outer ice crust is considered to be too thin to support heat transport rates sufficient to freeze the underlying water. Observational evidence for the calculations would consist of an insulating layer of frosts derived from water boiling up between cracks in the surface crust. Evidence for the existence of such a frost layer, including the photometric function of Europa and the deposits of sulfur on the trailing hemisphere, is discussed.

  9. Gas hydrate inhibition by perturbation of liquid water structure

    NASA Astrophysics Data System (ADS)

    Sa, Jeong-Hoon; Kwak, Gye-Hoon; Han, Kunwoo; Ahn, Docheon; Lee, Kun-Hong

    2015-06-01

    Natural gas hydrates are icy crystalline materials that contain hydrocarbons, which are the primary energy source for this civilization. The abundance of naturally occurring gas hydrates leads to a growing interest in exploitation. Despite their potential as energy resources and in industrial applications, there is insufficient understanding of hydrate kinetics, which hinders the utilization of these invaluable resources. Perturbation of liquid water structure by solutes has been proposed to be a key process in hydrate inhibition, but this hypothesis remains unproven. Here, we report the direct observation of the perturbation of the liquid water structure induced by amino acids using polarized Raman spectroscopy, and its influence on gas hydrate nucleation and growth kinetics. Amino acids with hydrophilic and/or electrically charged side chains disrupted the water structure and thus provided effective hydrate inhibition. The strong correlation between the extent of perturbation by amino acids and their inhibition performance constitutes convincing evidence for the perturbation inhibition mechanism. The present findings bring the practical applications of gas hydrates significantly closer, and provide a new perspective on the freezing and melting phenomena of naturally occurring gas hydrates.

  10. Gas hydrate inhibition by perturbation of liquid water structure.

    PubMed

    Sa, Jeong-Hoon; Kwak, Gye-Hoon; Han, Kunwoo; Ahn, Docheon; Lee, Kun-Hong

    2015-06-17

    Natural gas hydrates are icy crystalline materials that contain hydrocarbons, which are the primary energy source for this civilization. The abundance of naturally occurring gas hydrates leads to a growing interest in exploitation. Despite their potential as energy resources and in industrial applications, there is insufficient understanding of hydrate kinetics, which hinders the utilization of these invaluable resources. Perturbation of liquid water structure by solutes has been proposed to be a key process in hydrate inhibition, but this hypothesis remains unproven. Here, we report the direct observation of the perturbation of the liquid water structure induced by amino acids using polarized Raman spectroscopy, and its influence on gas hydrate nucleation and growth kinetics. Amino acids with hydrophilic and/or electrically charged side chains disrupted the water structure and thus provided effective hydrate inhibition. The strong correlation between the extent of perturbation by amino acids and their inhibition performance constitutes convincing evidence for the perturbation inhibition mechanism. The present findings bring the practical applications of gas hydrates significantly closer, and provide a new perspective on the freezing and melting phenomena of naturally occurring gas hydrates.

  11. The abundance and distribution of water vapor in Jupiter's atmosphere

    NASA Technical Reports Server (NTRS)

    Bjoraker, Gordon L.; Larson, Harold P.; Kunde, Virgil G.

    1986-01-01

    The atmospheric transmission window between 1800 and 2250 cm(-1) in Jupiter's atmosphere was observed from the Kuiper Airborne Observatory (KAO) and by the infrared spectrometer (IRIS) on Voyager. The vertical distribution of H2O was derived for the 1 to 6 bar portion of Jupiter's troposphere. The spatial variation of H2O was measured using IRIS spectra of the Hot Spots in the North and South Equatorial Belts, the Equatorial Zone, and for an average of the North and South Tropical Zones. The H2O column abundance above the 4 bar level is the same in the zones as in the SEB Hot Spots, about 20 cm-amagat. The NEB Hot Spots are desiccated by a factor of 3 with respect to the rest of Jupiter. For an average between -40 to 40 deg latitude, the H2O mole fraction, qH2O, is saturated for P less than 2 bars, qH2O = 4x10 to the -6 in the 2 to 4 bar range and it increases to 3x10 to the -5 at 6 bars. A similar vertical profile applies to the spatially resolved zone and belt spectra, except that H2O falls off more rapidly at P less than 4 bars in the NEB Hot Spots. The massive H2O cloud at 5 bars, T = 273 K, proposed in solar composition models, is inconsistent with the observations. Instead, a thin H2O ice cloud would form at 2 bars, T = 200 K. The O/H ratio in Jupiter, inferred from H2O measurements in both belts and zones at 6 bars, is depleted by a factor of 50 with respect to the Sun. The implications for the origin of Jupiter of globally depleted O/H, but enhanced C/H and N/H, are discussed.

  12. The abundance and distribution of water vapor in Jupiter's atmosphere

    NASA Technical Reports Server (NTRS)

    Bjoraker, Gordon L.; Larson, Harold P.; Kunde, Virgil G.

    1986-01-01

    The atmospheric transmission window between 1800 and 2250/cm in Jupiter's atmosphere was observed from the Kuiper Airborne Observatory and by the IR spectrometer (IRIS) on Voyager. The vertical distribution of H2O was derived for the 1-6 bar portion of Jupiter's troposphere. The spatial variation of H2O was measured using IRIS spectra of the Hot Spots in the North and South Equatorial Belts (NEB, SEB) and the Equatorial Zone and for an average of the North and South Tropical Zones. The H2O column abundance above the 4 bar level is the same in the zones as in the SEB Hot Spots, about 20 cm amagats. The NEB Hot Spots are desiccated by a factor of 3 with respect to the rest of Jupiter. For an average between -40 and +40 deg latitude, the H2O mole fraction, qH2O, is saturated for P less than 2 bars, qH2O = 4 millionths in the 2-4 bar range, and it increases to 3/100,000 at 6 bars. A similar vertical profile applies to the spatially resolved zone and belt spectra, except that H2O falls off more rapidly at P less than 4 bars in the NEB Hot Spots. A massive H2O cloud at 5 bars, T = 273 K is inconsistent with the observations. Instead, a thin H2O ice cloud would form at 2 bars, T = 200 K. The O/H ratio in Jupiter, inferred from H2O measurements in both belts and zones at 6 bars, is depleted by a factor of 50 with respect to the sun.

  13. Thermodynamics of ice nucleation in liquid water.

    PubMed

    Wang, Xin; Wang, Shui; Xu, Qinzhi; Mi, Jianguo

    2015-01-29

    We present a density functional theory approach to investigate the thermodynamics of ice nucleation in supercooled water. Within the theoretical framework, the free-energy functional is constructed by the direct correlation function of oxygen-oxygen of the equilibrium water, and the function is derived from the reference interaction site model in consideration of the interactions of hydrogen-hydrogen, hydrogen-oxygen, and oxygen-oxygen. The equilibrium properties, including vapor-liquid and liquid-solid phase equilibria, local structure of hexagonal ice crystal, and interfacial structure and tension of water-ice are calculated in advance to examine the basis for the theory. The predicted phase equilibria and the water-ice surface tension are in good agreement with the experimental data. In particular, the critical nucleus radius and free-energy barrier during ice nucleation are predicted. The critical radius is similar to the simulation value, suggesting that the current theoretical approach is suitable in describing the thermodynamic properties of ice crystallization.

  14. Abundance and distribution of water vapor in Jupiter's atmosphere

    SciTech Connect

    Bjoraker, G.L.; Larson, H.P.; Kunde, V.G.

    1986-09-01

    The atmospheric transmission window between 1800 and 2250 cm(-1) in Jupiter's atmosphere was observed from the Kuiper Airborne Observatory (KAO) and by the infrared spectrometer (IRIS) on Voyager. The vertical distribution of H/sub 2/O was derived for the 1 to 6 bar portion of Jupiter's troposphere. The spatial variation of H/sub 2/O was measured using IRIS spectra of the Hot Spots in the North and South Equatorial Belts, the Equatorial Zone, and for an average of the North and South Tropical Zones. The H/sub 2/O column abundance above the 4 bar level is the same in the zones as in the SEB Hot Spots, about 20 cm-amagat. The NEB Hot Spots are desiccated by a factor of 3 with respect to the rest of Jupiter. For an average between -40 to 40 deg latitude, the H/sub 2/O mole fraction, qH/sub 2/O, is saturated for P less than 2 bars, qH/sub 2/O = 4x10 to the -6 in the 2 to 4 bar range and it increases to 3x10 to the -5 at 6 bars. A similar vertical profile applies to the spatially resolved zone and belt spectra, except that H/sub 2/O falls off more rapidly at P less than 4 bars in the NEB Hot Spots. The massive H/sub 2/O cloud at 5 bars, T = 273 K, proposed in solar composition models, is inconsistent with the observations. Instead, a thin H/sub 2/O ice cloud would form at 2 bars, T = 200 K. The O/H ratio in Jupiter, inferred from H/sub 2/O measurements in both belts and zones at 6 bars, is depleted by a factor of 50 with respect to the Sun. The implications for the origin of Jupiter of globally depleted O/H, but enhanced C/H and N/H, are discussed.

  15. Natural Abundance 17O Nuclear Magnetic Resonance and Computational Modeling Studies of Lithium Based Liquid Electrolytes

    SciTech Connect

    Deng, Xuchu; Hu, Mary Y.; Wei, Xiaoliang; Wang, Wei; Chen, Zhong; Liu, Jun; Hu, Jian Z.

    2015-07-01

    Natural abundance 17O NMR measurements were conducted on electrolyte solutions consisting of Li[CF3SO2NSO2CF3] (LiTFSI) dissolved in the solvents of ethylene carbonate (EC), propylene carbonate (PC), ethyl methyl carbonate (EMC), and their mixtures at various concentrations. It was observed that 17O chemical shifts of solvent molecules change with the concentration of LiTFSI. The chemical shift displacements of carbonyl oxygen are evidently greater than those of ethereal oxygen, strongly indicating that Li+ ion is coordinated with carbonyl oxygen rather than ethereal oxygen. To understand the detailed molecular interaction, computational modeling of 17O chemical shifts was carried out on proposed solvation structures. By comparing the predicted chemical shifts with the experimental values, it is found that a Li+ ion is coordinated with four double bond oxygen atoms from EC, PC, EMC and TFSI- anion. In the case of excessive amount of solvents of EC, PC and EMC the Li+ coordinated solvent molecules are undergoing quick exchange with bulk solvent molecules, resulting in average 17O chemical shifts. Several kinds of solvation structures are identified, where the proportion of each structure in the liquid electrolytes investigated depends on the concentration of LiTFSI.

  16. Natural abundance 17O nuclear magnetic resonance and computational modeling studies of lithium based liquid electrolytes

    NASA Astrophysics Data System (ADS)

    Deng, Xuchu; Hu, Mary Y.; Wei, Xiaoliang; Wang, Wei; Chen, Zhong; Liu, Jun; Hu, Jian Zhi

    2015-07-01

    Natural abundance 17O NMR measurements were conducted on electrolyte solutions consisting of Li[CF3SO2NSO2CF3] (LiTFSI) dissolved in the solvents of ethylene carbonate (EC), propylene carbonate (PC), ethyl methyl carbonate (EMC), and their mixtures at various concentrations. It was observed that 17O chemical shifts of solvent molecules change with the concentration of LiTFSI. The chemical shift displacements of carbonyl oxygen are evidently greater than those of ethereal oxygen, strongly indicating that Li+ ion is coordinated with carbonyl oxygen rather than ethereal oxygen. To understand the detailed molecular interaction, computational modeling of 17O chemical shifts was carried out on proposed solvation structures. By comparing the predicted chemical shifts with the experimental values, it is found that a Li+ ion is coordinated with four double bond oxygen atoms from EC, PC, EMC and TFSI- anion. In the case of excessive amount of solvents of EC, PC and EMC the Li+ coordinated solvent molecules are undergoing quick exchange with bulk solvent molecules, resulting in average 17O chemical shifts. Several kinds of solvation structures are identified, where the proportion of each structure in the liquid electrolytes investigated depends on the concentration of LiTFSI.

  17. Martian atmospheric chemistry during the time of low water abundance

    NASA Technical Reports Server (NTRS)

    Nair, Hari; Allen, Mark; Yung, Yuk L.; Clancy, R. Todd

    1992-01-01

    The importance of odd hydrogen (or HO(x)) radicals in the catalytic recombination of carbon monoxide and oxygen in the Martian atmosphere is a well known fact. The inclusion of recent chemical kinetics data, specifically temperature-dependent CO2 absorption cross sections, into our one dimensional photochemical model shows that HO(x) is too efficient in this regard. The absorption cross sections of CO2 are smaller than previously assumed; this leads to a reduction in the photolysis rate of CO2 while the photolysis rate of H2O has increased. As a consequence the predicted mixing ratio of CO in our models is substantially less than the observed value of 6.5(10)(exp -4). Simultaneous measurements of water, ozone, and carbon monoxide were obtained in the Martian atmosphere in early Dec. 1990 (L(sub s) for Mars was 344 deg.).

  18. Metastable liquid-liquid transition in a molecular model of water.

    PubMed

    Palmer, Jeremy C; Martelli, Fausto; Liu, Yang; Car, Roberto; Panagiotopoulos, Athanassios Z; Debenedetti, Pablo G

    2014-06-19

    Liquid water's isothermal compressibility and isobaric heat capacity, and the magnitude of its thermal expansion coefficient, increase sharply on cooling below the equilibrium freezing point. Many experimental, theoretical and computational studies have sought to understand the molecular origin and implications of this anomalous behaviour. Of the different theoretical scenarios put forward, one posits the existence of a first-order phase transition that involves two forms of liquid water and terminates at a critical point located at deeply supercooled conditions. Some experimental evidence is consistent with this hypothesis, but no definitive proof of a liquid-liquid transition in water has been obtained to date: rapid ice crystallization has so far prevented decisive measurements on deeply supercooled water, although this challenge has been overcome recently. Computer simulations are therefore crucial for exploring water's structure and behaviour in this regime, and have shown that some water models exhibit liquid-liquid transitions and others do not. However, recent work has argued that the liquid-liquid transition has been mistakenly interpreted, and is in fact a liquid-crystal transition in all atomistic models of water. Here we show, by studying the liquid-liquid transition in the ST2 model of water with the use of six advanced sampling methods to compute the free-energy surface, that two metastable liquid phases and a stable crystal phase exist at the same deeply supercooled thermodynamic condition, and that the transition between the two liquids satisfies the thermodynamic criteria of a first-order transition. We follow the rearrangement of water's coordination shell and topological ring structure along a thermodynamically reversible path from the low-density liquid to cubic ice. We also show that the system fluctuates freely between the two liquid phases rather than crystallizing. These findings provide unambiguous evidence for a liquid-liquid transition in

  19. Metastable liquid-liquid transition in a molecular model of water

    NASA Astrophysics Data System (ADS)

    Palmer, Jeremy C.; Martelli, Fausto; Liu, Yang; Car, Roberto; Panagiotopoulos, Athanassios Z.; Debenedetti, Pablo G.

    2014-06-01

    Liquid water's isothermal compressibility and isobaric heat capacity, and the magnitude of its thermal expansion coefficient, increase sharply on cooling below the equilibrium freezing point. Many experimental, theoretical and computational studies have sought to understand the molecular origin and implications of this anomalous behaviour. Of the different theoretical scenarios put forward, one posits the existence of a first-order phase transition that involves two forms of liquid water and terminates at a critical point located at deeply supercooled conditions. Some experimental evidence is consistent with this hypothesis, but no definitive proof of a liquid-liquid transition in water has been obtained to date: rapid ice crystallization has so far prevented decisive measurements on deeply supercooled water, although this challenge has been overcome recently. Computer simulations are therefore crucial for exploring water's structure and behaviour in this regime, and have shown that some water models exhibit liquid-liquid transitions and others do not. However, recent work has argued that the liquid-liquid transition has been mistakenly interpreted, and is in fact a liquid-crystal transition in all atomistic models of water. Here we show, by studying the liquid-liquid transition in the ST2 model of water with the use of six advanced sampling methods to compute the free-energy surface, that two metastable liquid phases and a stable crystal phase exist at the same deeply supercooled thermodynamic condition, and that the transition between the two liquids satisfies the thermodynamic criteria of a first-order transition. We follow the rearrangement of water's coordination shell and topological ring structure along a thermodynamically reversible path from the low-density liquid to cubic ice. We also show that the system fluctuates freely between the two liquid phases rather than crystallizing. These findings provide unambiguous evidence for a liquid-liquid transition in

  20. Triplet correlation functions in liquid water

    NASA Astrophysics Data System (ADS)

    Dhabal, Debdas; Singh, Murari; Wikfeldt, Kjartan Thor; Chakravarty, Charusita

    2014-11-01

    Triplet correlations have been shown to play a crucial role in the transformation of simple liquids to anomalous tetrahedral fluids [M. Singh, D. Dhabal, A. H. Nguyen, V. Molinero, and C. Chakravarty, Phys. Rev. Lett. 112, 147801 (2014)]. Here we examine triplet correlation functions for water, arguably the most important tetrahedral liquid, under ambient conditions, using configurational ensembles derived from molecular dynamics (MD) simulations and reverse Monte Carlo (RMC) datasets fitted to experimental scattering data. Four different RMC data sets with widely varying hydrogen-bond topologies fitted to neutron and x-ray scattering data are considered [K. T. Wikfeldt, M. Leetmaa, M. P. Ljungberg, A. Nilsson, and L. G. M. Pettersson, J. Phys. Chem. B 113, 6246 (2009)]. Molecular dynamics simulations are performed for two rigid-body effective pair potentials (SPC/E and TIP4P/2005) and the monatomic water (mW) model. Triplet correlation functions are compared with other structural measures for tetrahedrality, such as the O-O-O angular distribution function and the local tetrahedral order distributions. In contrast to the pair correlation functions, which are identical for all the RMC ensembles, the O-O-O triplet correlation function can discriminate between ensembles with different degrees of tetrahedral network formation with the maximally symmetric, tetrahedral SYM dataset displaying distinct signatures of tetrahedrality similar to those obtained from atomistic simulations of the SPC/E model. Triplet correlations from the RMC datasets conform closely to the Kirkwood superposition approximation, while those from MD simulations show deviations within the first two neighbour shells. The possibilities for experimental estimation of triplet correlations of water and other tetrahedral liquids are discussed.

  1. Triplet correlation functions in liquid water

    SciTech Connect

    Dhabal, Debdas; Chakravarty, Charusita; Singh, Murari; Wikfeldt, Kjartan Thor

    2014-11-07

    Triplet correlations have been shown to play a crucial role in the transformation of simple liquids to anomalous tetrahedral fluids [M. Singh, D. Dhabal, A. H. Nguyen, V. Molinero, and C. Chakravarty, Phys. Rev. Lett. 112, 147801 (2014)]. Here we examine triplet correlation functions for water, arguably the most important tetrahedral liquid, under ambient conditions, using configurational ensembles derived from molecular dynamics (MD) simulations and reverse Monte Carlo (RMC) datasets fitted to experimental scattering data. Four different RMC data sets with widely varying hydrogen-bond topologies fitted to neutron and x-ray scattering data are considered [K. T. Wikfeldt, M. Leetmaa, M. P. Ljungberg, A. Nilsson, and L. G. M. Pettersson, J. Phys. Chem. B 113, 6246 (2009)]. Molecular dynamics simulations are performed for two rigid-body effective pair potentials (SPC/E and TIP4P/2005) and the monatomic water (mW) model. Triplet correlation functions are compared with other structural measures for tetrahedrality, such as the O–O–O angular distribution function and the local tetrahedral order distributions. In contrast to the pair correlation functions, which are identical for all the RMC ensembles, the O–O–O triplet correlation function can discriminate between ensembles with different degrees of tetrahedral network formation with the maximally symmetric, tetrahedral SYM dataset displaying distinct signatures of tetrahedrality similar to those obtained from atomistic simulations of the SPC/E model. Triplet correlations from the RMC datasets conform closely to the Kirkwood superposition approximation, while those from MD simulations show deviations within the first two neighbour shells. The possibilities for experimental estimation of triplet correlations of water and other tetrahedral liquids are discussed.

  2. Liquid-liquid transition in ST2 water

    NASA Astrophysics Data System (ADS)

    Liu, Yang; Palmer, Jeremy C.; Panagiotopoulos, Athanassios Z.; Debenedetti, Pablo G.

    2012-12-01

    We use the weighted histogram analysis method [S. Kumar, D. Bouzida, R. H. Swendsen, P. A. Kollman, and J. M. Rosenberg, J. Comput. Chem. 13, 1011 (1992), 10.1002/jcc.540130812] to calculate the free energy surface of the ST2 model of water as a function of density and bond-orientational order. We perform our calculations at deeply supercooled conditions (T = 228.6 K, P = 2.2 kbar; T = 235 K, P = 2.2 kbar) and focus our attention on the region of bond-orientational order that is relevant to disordered phases. We find a first-order transition between a low-density liquid (LDL, ρ ≈ 0.9 g/cc) and a high-density liquid (HDL, ρ ≈ 1.15 g/cc), confirming our earlier sampling of the free energy surface of this model as a function of density [Y. Liu, A. Z. Panagiotopoulos, and P. G. Debenedetti, J. Chem. Phys. 131, 104508 (2009), 10.1063/1.3229892]. We demonstrate the disappearance of the LDL basin at high pressure and of the HDL basin at low pressure, in agreement with independent simulations of the system's equation of state. Consistency between directly computed and reweighted free energies, as well as between free energy surfaces computed using different thermodynamic starting conditions, confirms proper equilibrium sampling. Diffusion and structural relaxation calculations demonstrate that equilibration of the LDL phase, which exhibits slow dynamics, is attained in the course of the simulations. Repeated flipping between the LDL and HDL phases in the course of long molecular dynamics runs provides further evidence of a phase transition. We use the Ewald summation with vacuum boundary conditions to calculate long-ranged Coulombic interactions and show that conducting boundary conditions lead to unphysical behavior at low temperatures.

  3. Determination of four heterocyclic insecticides by ionic liquid dispersive liquid-liquid microextraction in water samples.

    PubMed

    Liu, Yu; Zhao, Ercheng; Zhu, Wentao; Gao, Haixiang; Zhou, Zhiqiang

    2009-02-06

    A novel microextraction method termed ionic liquid dispersive liquid-liquid microextraction (IL-DLLME) combining high-performance liquid chromatography with diode array detection (HPLC-DAD) was developed for the determination of insecticides in water samples. Four heterocyclic insecticides (fipronil, chlorfenapyr, buprofezin, and hexythiazox) were selected as the model compounds for validating this new method. This technique combines extraction and concentration of the analytes into one step, and the ionic liquid was used instead of a volatile organic solvent as the extraction solvent. Several important parameters influencing the IL-DLLME extraction efficiency such as the volume of extraction solvent, the type and volume of disperser solvent, extraction time, centrifugation time, salt effect as well as acid addition were investigated. Under the optimized conditions, good enrichment factors (209-276) and accepted recoveries (79-110%) were obtained for the extraction of the target analytes in water samples. The calibration curves were linear with correlation coefficient ranged from 0.9947 to 0.9973 in the concentration level of 2-100 microg/L, and the relative standard deviations (RSDs, n=5) were 4.5-10.7%. The limits of detection for the four insecticides were 0.53-1.28 microg/L at a signal-to-noise ratio (S/N) of 3.

  4. Liquid water sill emplacement on Europa?

    NASA Astrophysics Data System (ADS)

    Craft, K.; Patterson, G. W.; Lowell, R. P.

    2013-12-01

    Recent work has suggested that lithospheric flexure and flanking fractures observed along some ridges on Europa are best explained by the initial presence of a shallow liquid water sill. The emplacement of a sill suggests certain conditions existed that were favorable to water flow from the ocean to the subsurface, stresses that allowed horizontal fracturing for sill emplacement, and liquid water replenishment to enable a sill lifetime of ~ 1000s of years. Here, we investigate whether these conditions could occur and result in sill formation. Previous models of the stresses resulting from ice shell thickening on Europa indicated that fractures can initiate within the shell and propagate both upward toward the surface and downward to the ice-ocean interface. For an ~10 km thick ice shell, we determined that flow velocities for ocean water driven up a vertical fracture by the release of lithostatic pressures are adequate for reaching the subsurface before freezing occurs (LPSC #3033). We propose the next step for sill emplacement could occur through horizontal fracturing. Nominally, the stress field in a material under lithostatic load is conducive to vertical crack propagation. However, factors exist that can cause the stress field to change and propagate cracks horizontally. Seismically imaged terrestrial sills beneath mid-ocean ridges often occur in areas with extensive cracking and/or faulting, suggesting crack interactions may play a key role. Through application of a finite element program, we modeled four stress changing mechanisms and the resulting fracture propagation in a 10 km thick ice shell on Europa: (1) mechanical layering, (2) shallow cracks to the surface, (3) deep cracks from the ocean-ice interface and (4) shallow and deep cracks combined. Results determined that all mechanisms cause some turn in propagation direction, with Model 4 (both shallow and deep cracks) enabling the greatest turn to ~ horizontal. The horizontal extent of the fracture

  5. Polarized View of Supercooled Liquid Water Clouds

    NASA Technical Reports Server (NTRS)

    Alexandrov, Mikhail D.; Cairns, Brian; Van Diedenhoven, Bastiaan; Ackerman, Andrew S.; Wasilewski, Andrzej P.; McGill, Matthew J.; Yorks, John E.; Hlavka, Dennis L.; Platnick, Steven E.; Arnold, G. Thomas

    2016-01-01

    Supercooled liquid water (SLW) clouds, where liquid droplets exist at temperatures below 0 C present a well known aviation hazard through aircraft icing, in which SLW accretes on the airframe. SLW clouds are common over the Southern Ocean, and climate-induced changes in their occurrence is thought to constitute a strong cloud feedback on global climate. The two recent NASA field campaigns POlarimeter Definition EXperiment (PODEX, based in Palmdale, California, January-February 2013) and Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS, based in Houston, Texas in August- September 2013) provided a unique opportunity to observe SLW clouds from the high-altitude airborne platform of NASA's ER-2 aircraft. We present an analysis of measurements made by the Research Scanning Polarimeter (RSP) during these experiments accompanied by correlative retrievals from other sensors. The RSP measures both polarized and total reflectance in 9 spectral channels with wavelengths ranging from 410 to 2250 nm. It is a scanning sensor taking samples at 0.8deg intervals within 60deg from nadir in both forward and backward directions. This unique angular resolution allows for characterization of liquid water droplet size using the rainbow structure observed in the polarized reflectances in the scattering angle range between 135deg and 165deg. Simple parametric fitting algorithms applied to the polarized reflectance provide retrievals of the droplet effective radius and variance assuming a prescribed size distribution shape (gamma distribution). In addition to this, we use a non-parametric method, Rainbow Fourier Transform (RFT),which allows retrieval of the droplet size distribution without assuming a size distribution shape. We present an overview of the RSP campaign datasets available from the NASA GISS website, as well as two detailed examples of the retrievals. In these case studies we focus on cloud fields with spatial features

  6. Liquid penetration inside glass nozzle during bubble departures in water

    NASA Astrophysics Data System (ADS)

    Dzienis, P.; Mosdorf, R.; Augustyniak, J.

    2016-09-01

    Liquid penetration into the glass nozzle with inner diameter of 1 mm during the bubble, departures in distilled (surface tension = 65 mN/m) and not distilled (surface tension = 72 mN/m), water was investigated. It has been shown that dynamics of liquid movement inside the nozzle depend on the water surface tension. Maximum value of liquid penetration inside the nozzle is different for distilled and not distilled water. In not distilled water the depth of liquid penetration into the nozzle depends on air volume flow rate. For desilted water this value is constant.

  7. Ab Initio Quantum Simulations of Liquid Water

    NASA Astrophysics Data System (ADS)

    Gergely, John; Ceperley, David; Gygi, Francois

    2007-03-01

    Some recent efforts at simulating liquid water have employed ``ab initio'' molecular dynamics (AIMD) methods with forces from a version of density functional theory (DFT) and, in some cases, imaginary-time path integrals (PI) to study quantum effects of the protons. Although AIMD methods have met with many successes, errors introduced by the approximations and choices of simulation parameters are not fully understood. We report on path integral Monte Carlo (PIMC) studies of liquid water using DFT energies that provide quantitative benchmarks for PI-AIMD work. Specifically, we present convergence studies of the path integrals and address whether the Trotter number can be reduced by improving the form of the (approximate) action. Also, we assess 1) whether typical AIMD simulations are sufficiently converged in simulation time, i.e., if there is reason to suspect that nonergodic behavior in PI-AIMD methods leads to poor convergence, and 2) the relative efficiency of the methods. E. Schwegler, J.C. Grossman, F. Gygi, G. Galli, J. Chem. Phys 121, 5400 (2004).

  8. The Liquid Treasure Water History Trunk: Learning from the Past.

    ERIC Educational Resources Information Center

    Kesselheim, Alan S.; And Others

    This document is a guide to building a Liquid Treasure Water History Trunk that allows educators and students of all ages to learn about water from a historical perspective. By assembling historical water related items into a meaningful and interesting learning format--The Liquid Treasure Trunk--teachers and students of all ages can gain a glimpse…

  9. Evidence for Recent Liquid Water on Mars

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Newton Crater is a large basin formed by an asteroid impact that probably occurred more than 3 billion years ago. It is approximately 287 kilometers (178 miles) across. The picture shown here (top) highlights the north wall of a specific, smaller crater located in the southwestern quarter of Newton Crater (above). The crater of interest was also formed by an impact; it is about 7 km (4.4 mi) across, which is about 7 times bigger than the famous Meteor Crater in northern Arizona in North America. The north wall of the small crater has many narrow gullies eroded into it. These are hypothesized to have been formed by flowing water and debris flows. Debris transported with the water created lobed and finger-like deposits at the base of the crater wall where it intersects the floor (bottom center top image). Many of the finger-like deposits have small channels indicating that a liquid, most likely water, flowed in these areas. Hundreds of individual water and debris flow events might have occurred to create the scene shown here. Each outburst of water from higher up on the crater slopes would have constituted a competition between evaporation, freezing, and gravity. The individual deposits at the ends of channels in this MOC image mosaic were used to get a rough estimate of the minimum amount of water that might be involved in each flow event. This is done first by assuming that the deposits are like debris flows on Earth. In a debris flow, no less than about 10% (and no more than 30%) of their volume is water. Second, the volume of an apron deposit is estimated by measuring the area covered in the MOC image and multiplying it by a conservative estimate of thickness, 2 meters (6.5 feet). For a flow containing only 10% water, these estimates conservatively suggest that about 2.5 million liters (660,000 gallons) of water are involved in each event; this is enough to fill about 7 community-sized swimming pools or enough to supply 20 people with their water needs for a year

  10. An upper limit of gaseous water abundance in Chamaeleon-MMS1 as observed with ODIN

    NASA Astrophysics Data System (ADS)

    Klotz, A.; Harju, J.; Ristorcelli, I.; Juvela, M.; Boudet, N.; Haikala, L. K.

    2008-09-01

    Context: The determination of the gaseous water abundances in different intestellar environments is crucial for understanding the oxygen chemistry and its role in the molecular cloud evolution. Aims: The purpose of this study is to estimate water abundance in the protostellar core Cha-MMS1. Methods: The ground-state line of o-H20 at 557 GHz was observed with the ODIN telescope. Two observing runs performed in 2002 and 2003 resulted in an upper limit of TA = 16 mK. A model for the core density and temperature structure was constructed using a 1.3 mm continuum map from SEST/SIMBA. The water abundance profile through the cloud was derived and water line intensities expected from this model were calculated. Results: An upper limit of 7 × 10-9 was derived for the average fractional o-H2O abundance (relative to H{2}). The non-detection is consistent with an abundance profile where a high fractional abundance ( 10-7) is reached in the low-density envelope of the core. According to our radiative transfer calculations, the detection of the 557 GHz line from a quiescent core should severely be hampered by self-absorption. Therefore the present observations do not put hard contrainst on the H2O abundance. Based on observations with Odin, a Swedish-led satellite project funded jointly by the Swedish National Space Board (SNSB), the Canadian Space Agency (CSA), the National Technology Agency of Finland (Tekes) and Centre National d'Étude Spatiale (CNES). The Swedish Space Corporation has been the industrial prime contractor and also is operating the satellite. Complementary data were collected at the European Southern Observatory, La Silla, Chile.

  11. The role of carrion supply in the abundance of deep-water fish off California.

    PubMed

    Drazen, Jeffrey C; Bailey, David M; Ruhl, Henry A; Smith, Kenneth L

    2012-01-01

    Few time series of deep-sea systems exist from which the factors affecting abyssal fish populations can be evaluated. Previous analysis showed an increase in grenadier abundance, in the eastern North Pacific, which lagged epibenthic megafaunal abundance, mostly echinoderms, by 9-20 months. Subsequent diet studies suggested that carrion is the grenadier's most important food. Our goal was to evaluate if changes in carrion supply might drive the temporal changes in grenadier abundance. We analyzed a unique 17 year time series of abyssal grenadier abundance and size, collected at Station M (4100 m, 220 km offshore of Pt. Conception, California), and reaffirmed the increase in abundance and also showed an increase in mean size resulting in a ∼6 fold change in grenadier biomass. We compared this data with abundance estimates for surface living nekton (pacific hake and jack mackerel) eaten by the grenadiers as carrion. A significant positive correlation between Pacific hake (but not jack mackerel) and grenadiers was found. Hake seasonally migrate to the waters offshore of California to spawn. They are the most abundant nekton species in the region and the target of the largest commercial fishery off the west coast. The correlation to grenadier abundance was strongest when using hake abundance metrics from the area within 100 nmi of Station M. No significant correlation between grenadier abundance and hake biomass for the entire California current region was found. Given the results and grenadier longevity, migration is likely responsible for the results and the location of hake spawning probably is more important than the size of the spawning stock in understanding the dynamics of abyssal grenadier populations. Our results suggest that some abyssal fishes' population dynamics are controlled by the flux of large particles of carrion. Climate and fishing pressures affecting epipelagic fish stocks could readily modulate deep-sea fish dynamics.

  12. The Role of Carrion Supply in the Abundance of Deep-Water Fish off California

    PubMed Central

    Drazen, Jeffrey C.; Bailey, David M.; Ruhl, Henry A.; Smith, Kenneth L.

    2012-01-01

    Few time series of deep-sea systems exist from which the factors affecting abyssal fish populations can be evaluated. Previous analysis showed an increase in grenadier abundance, in the eastern North Pacific, which lagged epibenthic megafaunal abundance, mostly echinoderms, by 9–20 months. Subsequent diet studies suggested that carrion is the grenadier's most important food. Our goal was to evaluate if changes in carrion supply might drive the temporal changes in grenadier abundance. We analyzed a unique 17 year time series of abyssal grenadier abundance and size, collected at Station M (4100 m, 220 km offshore of Pt. Conception, California), and reaffirmed the increase in abundance and also showed an increase in mean size resulting in a ∼6 fold change in grenadier biomass. We compared this data with abundance estimates for surface living nekton (pacific hake and jack mackerel) eaten by the grenadiers as carrion. A significant positive correlation between Pacific hake (but not jack mackerel) and grenadiers was found. Hake seasonally migrate to the waters offshore of California to spawn. They are the most abundant nekton species in the region and the target of the largest commercial fishery off the west coast. The correlation to grenadier abundance was strongest when using hake abundance metrics from the area within 100 nmi of Station M. No significant correlation between grenadier abundance and hake biomass for the entire California current region was found. Given the results and grenadier longevity, migration is likely responsible for the results and the location of hake spawning probably is more important than the size of the spawning stock in understanding the dynamics of abyssal grenadier populations. Our results suggest that some abyssal fishes' population dynamics are controlled by the flux of large particles of carrion. Climate and fishing pressures affecting epipelagic fish stocks could readily modulate deep-sea fish dynamics. PMID:23133679

  13. Optical Fluorescence Detected from X-ray Irradiated Liquid Water.

    PubMed

    Hans, Andreas; Ozga, Christian; Seidel, Robert; Schmidt, Philipp; Ueltzhöffer, Timo; Holzapfel, Xaver; Wenzel, Philip; Reiß, Philipp; Pohl, Marvin N; Unger, Isaak; Aziz, Emad F; Ehresmann, Arno; Slavíček, Petr; Winter, Bernd; Knie, André

    2017-03-16

    Despite its importance, the structure and dynamics of liquid water are still poorly understood in many apsects. Here, we report on the observation of optical fluorescence upon soft X-ray irradiation of liquid water. Detection of spectrally resolved fluorescence was achieved by a combination of the liquid microjet technique and fluorescence spectroscopy. We observe a genuine liquid-phase fluorescence manifested by a broad emission band in the 170-340 nm (4-7 eV) photon wavelength range. In addition, another narrower emission near 300 nm can be assigned to the fluorescence of OH (A state) in the gas phase, the emitting species being formed by Auger electrons escaping from liquid water. We argue that the newly observed broad-band emission of liquid water is relevant in search of extraterrestrial life, and we also envision the observed electron-ejection mechanism to find application for exploring solutes at liquid-vapor interfaces.

  14. A PRECISE WATER ABUNDANCE MEASUREMENT FOR THE HOT JUPITER WASP-43b

    SciTech Connect

    Kreidberg, Laura; Bean, Jacob L.; Stevenson, Kevin B.; Désert, Jean-Michel; Line, Michael R.; Fortney, Jonathan J.; Madhusudhan, Nikku; Showman, Adam P.; Kataria, Tiffany; Charbonneau, David; McCullough, Peter R.; Seager, Sara; Burrows, Adam; Henry, Gregory W.; Williamson, Michael; Homeier, Derek

    2014-10-01

    The water abundance in a planetary atmosphere provides a key constraint on the planet's primordial origins because water ice is expected to play an important role in the core accretion model of planet formation. However, the water content of the solar system giant planets is not well known because water is sequestered in clouds deep in their atmospheres. By contrast, short-period exoplanets have such high temperatures that their atmospheres have water in the gas phase, making it possible to measure the water abundance for these objects. We present a precise determination of the water abundance in the atmosphere of the 2 M {sub Jup} short-period exoplanet WASP-43b based on thermal emission and transmission spectroscopy measurements obtained with the Hubble Space Telescope. We find the water content is consistent with the value expected in a solar composition gas at planetary temperatures (0.4-3.5 × solar at 1σ confidence). The metallicity of WASP-43b's atmosphere suggested by this result extends the trend observed in the solar system of lower metal enrichment for higher planet masses.

  15. Micronekton abundance and biomass in Hawaiian waters as influenced by seamounts, eddies, and the moon

    NASA Astrophysics Data System (ADS)

    Drazen, Jeffrey C.; De Forest, Lisa G.; Domokos, Reka

    2011-05-01

    Micronekton abundance, biomass, and community composition was determined from 58 Cobb trawl samples taken from 2005 to 2008 at several locations in the lee of the Hawaiian Islands. The results indicated a strong influence of the lunar illumination on micronekton abundance and biomass. This effect was evident in shallow night tows and probably was the result of lunar light affecting the nighttime depths of migrating species. The abundance and biomass of micronekton is remarkably consistent between years and areas in Hawaiian waters after the affects of moon phase are accounted for. Micronekton, principally migratory myctophids, were reduced over the summit of Cross Seamount but not Finch Seamount that has a summit below the daytime depth of most migrators. However, during a new moon, micronekton abundance over Cross seamount was similar to surrounding areas either because of altered migration patterns or because predators such as tunas cannot forage as effectively at night without lunar illumination. Species belonging to the Hawaiian mesopelagic boundary layer community were found to vary in presence and abundance between years at Cross Seamount suggesting that a consistent seamount associated fauna does not exist. Sparse sampling of a cyclonic mid-ocean eddy suggested very high micronekton abundance and biomass both in shallow waters at night but also at depth during the day. Although preliminary, these results suggest that eddies may aggregate the micronekton which probably feed on the enhanced secondary productivity.

  16. Liquid-liquid transition without macroscopic phase separation in a water-glycerol mixture

    NASA Astrophysics Data System (ADS)

    Murata, Ken-Ichiro; Tanaka, Hajime

    2012-05-01

    The existence of more than two liquid states in a single-component substance and the ensuing liquid-liquid transitions (LLTs) has attracted considerable attention because of its counterintuitive nature and its importance in the fundamental understanding of the liquid state. Here we report direct experimental evidence for a genuine (isocompositional) LLT without macroscopic phase separation in an aqueous solution of glycerol. We show that liquid I transforms into liquid II by way of two types of kinetics: nucleation and growth, and spinodal decomposition. Although liquid II is metastable against crystallization, we could access both its static and dynamical properties experimentally. We find that liquids I and II differ in density, refractive index, structure, hydrogen bonding state, glass transition temperature and fragility, and that the transition between the two liquids is mainly driven by the local structuring of water rather than of glycerol, suggesting a link to a plausible LLT inpure water.

  17. Air and water stable ionic liquids in physical chemistry.

    PubMed

    Endres, Frank; Zein El Abedin, Sherif

    2006-05-14

    Ionic liquids are defined today as liquids which solely consist of cations and anions and which by definition must have a melting point of 100 degrees C or below. Originating from electrochemistry in AlCl(3) based liquids an enormous progress was made during the recent 10 years to synthesize ionic liquids that can be handled under ambient conditions, and today about 300 ionic liquids are already commercially available. Whereas the main interest is still focussed on organic and technical chemistry, various aspects of physical chemistry in ionic liquids are discussed now in literature. In this review article we give a short overview on physicochemical aspects of ionic liquids, such as physical properties of ionic liquids, nanoparticles, nanotubes, batteries, spectroscopy, thermodynamics and catalysis of/in ionic liquids. The focus is set on air and water stable ionic liquids as they will presumably dominate various fields of chemistry in future.

  18. Effect of Environmental Factors on Cyanobacterial Abundance and Cyanotoxins Production in Natural and Drinking Water, Bangladesh.

    PubMed

    Affan, Abu; Khomavis, Hisham S; Al-Harbi, Salim Marzoog; Haque, Mahfuzul; Khan, Saleha

    2015-02-01

    Cyanobacterial blooms commonly appear during the summer months in ponds, lakes and reservoirs in Bangladesh. In these areas, fish mortality, odorous water and fish and human skin irritation and eye inflammation have been reported. The influence of physicochemical factors on the occurrence of cyanobacteria and its toxin levels were evaluated in natural and drinking water in Bangladesh. A highly sensitive immunosorbent assay was used to detect microcystins (MCs). Cyanobacteria were found in 22 of 23 samples and the dominant species were Microcystis aeruginosa, followed by Microcystisflosaquae, Anabeana crassa and Aphanizomenon flosaquae. Cyanobacterial abundance varied from 39 to 1315 x 10(3) cells mL(-1) in natural water and 31 to 49 x 10(3) cells mL(-1) in tap water. MC concentrations were 25-82300 pg mL(-1) with the highest value measured in the fish research pond, followed by Ishakha Lake. In tap water, MC concentrations ranged from 30-32 pg mL(-1). The correlation between nitrate-nitrogen (NO3-N) concentration and cyanobacterial cell abundance was R2 = 0.62 while that between cyanobacterial abundance and MC concentration was R2 = 0.98. The increased NO3-N from fish feed, organic manure, poultry and dairy farm waste and fertilizer from agricultural land eutrophicated the water bodies and triggered cyanobacterial bloom formation. The increased amount of cyanobacteria produced MCs, subsequently reducing the water quality.

  19. Interactions between water and 1-butyl-1-methylpyrrolidinium ionic liquids

    NASA Astrophysics Data System (ADS)

    Fadeeva, Tatiana A.; Husson, Pascale; DeVine, Jessalyn A.; Costa Gomes, Margarida F.; Greenbaum, Steven G.; Castner, Edward W.

    2015-08-01

    We report experimental results on the diffusivity of water in two ionic liquids obtained using the pulsed-gradient spin-echo NMR method. Both ionic liquids have the same cation, 1-butyl-1-methylpyrrolidinium, but different trifluoromethyl-containing anions. One has a strongly hydrophobic anion, bis(trifluoromethylsulfonyl)amide, while the second has a hydrophilic anion, trifluoromethylsulfonate. Transport of water in these ionic liquids is much faster than would be predicted from hydrodynamic laws, indicating that the neutral water molecules experience a very different friction than the anions and cations at the molecular level. Temperature-dependent viscosities, conductivities, and densities are reported as a function of water concentration to further analyze the properties of the ionic liquid-water mixtures. These results on the properties of water in ionic liquids should be of interest to researchers in diverse areas ranging from separations, solubilizing biomass and energy technologies.

  20. Interactions between water and 1-butyl-1-methylpyrrolidinium ionic liquids.

    PubMed

    Fadeeva, Tatiana A; Husson, Pascale; DeVine, Jessalyn A; Costa Gomes, Margarida F; Greenbaum, Steven G; Castner, Edward W

    2015-08-14

    We report experimental results on the diffusivity of water in two ionic liquids obtained using the pulsed-gradient spin-echo NMR method. Both ionic liquids have the same cation, 1-butyl-1-methylpyrrolidinium, but different trifluoromethyl-containing anions. One has a strongly hydrophobic anion, bis(trifluoromethylsulfonyl)amide, while the second has a hydrophilic anion, trifluoromethylsulfonate. Transport of water in these ionic liquids is much faster than would be predicted from hydrodynamic laws, indicating that the neutral water molecules experience a very different friction than the anions and cations at the molecular level. Temperature-dependent viscosities, conductivities, and densities are reported as a function of water concentration to further analyze the properties of the ionic liquid-water mixtures. These results on the properties of water in ionic liquids should be of interest to researchers in diverse areas ranging from separations, solubilizing biomass and energy technologies.

  1. Interactions between water and 1-butyl-1-methylpyrrolidinium ionic liquids

    SciTech Connect

    Fadeeva, Tatiana A.; DeVine, Jessalyn A.; Castner, Edward W.; Husson, Pascale; Costa Gomes, Margarida F.; Greenbaum, Steven G.

    2015-08-14

    We report experimental results on the diffusivity of water in two ionic liquids obtained using the pulsed-gradient spin-echo NMR method. Both ionic liquids have the same cation, 1-butyl-1-methylpyrrolidinium, but different trifluoromethyl-containing anions. One has a strongly hydrophobic anion, bis(trifluoromethylsulfonyl)amide, while the second has a hydrophilic anion, trifluoromethylsulfonate. Transport of water in these ionic liquids is much faster than would be predicted from hydrodynamic laws, indicating that the neutral water molecules experience a very different friction than the anions and cations at the molecular level. Temperature-dependent viscosities, conductivities, and densities are reported as a function of water concentration to further analyze the properties of the ionic liquid-water mixtures. These results on the properties of water in ionic liquids should be of interest to researchers in diverse areas ranging from separations, solubilizing biomass and energy technologies.

  2. ORTHO-TO-PARA ABUNDANCE RATIO OF WATER ION IN COMET C/2001 Q4 (NEAT): IMPLICATION FOR ORTHO-TO-PARA ABUNDANCE RATIO OF WATER

    SciTech Connect

    Shinnaka, Yoshiharu; Kawakita, Hideyo; Kobayashi, Hitomi; Boice, Daniel C.; Martinez, Susan E.

    2012-04-20

    The ortho-to-para abundance ratio (OPR) of cometary molecules is considered to be one of the primordial characteristics of cometary ices, and contains information concerning their formation. Water is the most abundant species in cometary ices, and OPRs of water in comets have been determined from infrared spectroscopic observations of H{sub 2}O rovibrational transitions so far. In this paper, we present a new method to derive OPR of water in comets from the high-dispersion spectrum of the rovibronic emission of H{sub 2}O{sup +} in the optical wavelength region. The rovibronic emission lines of H{sub 2}O{sup +} are sometimes contaminated by other molecular emission lines but they are not affected seriously by telluric absorption compared with near-infrared observations. Since H{sub 2}O{sup +} ions are mainly produced from H{sub 2}O by photoionization in the coma, the OPR of H{sub 2}O{sup +} is considered to be equal to that of water based on the nuclear spin conservation through the reaction. We have developed a fluorescence excitation model of H{sub 2}O{sup +} and applied it to the spectrum of comet C/2001 Q4 (NEAT). The derived OPR of water is 2.54{sup +0.32}{sub -0.25}, which corresponds to a nuclear spin temperature (T{sub spin}) of 30{sup +10}{sub -4} K. This is consistent with the previous value determined in the near-infrared for the same comet (OPR = 2.6 {+-} 0.3, T{sub spin} = 31{sup +11}{sub -5} K).

  3. Survey of cyanomyovirus abundance in Shantou coastal waters by g20

    NASA Astrophysics Data System (ADS)

    Li, Chuanbiao; Ding, Jun; Zhou, Lizhen; Zhang, Zhao; Li, Shengkang; Liu, Wenhua; Wen, Xiaobo

    2015-05-01

    To understand the genetic diversity and population changes in cyanophages in the coastal waters of Shantou, northeast South China Sea, we used the capsid assembly protein gene g20 as a marker of the abundance and phylogeny of natural cyanomyovirus communities. The abundance of total viruses, heterotrophic bacteria, and picophytoplankton in the coastal waters was monitored with flow cytometry. Hydrological parameters (NO{3/-}, NO{2/-}, NH3, soluble reactive phosphorus, total dissolved nitrogen, total dissolved phosphorus, dissolved oxygen, chemical oxygen demand, temperature, salinity, and chlorophyll a concentration) and microbial abundance (total viruses, total bacteria, Prochlorococcus, Synechococcus, and eukaryotes) were measured in the upper and lower layers at four sampling sites in the research area. In the direct viral counts, cyanomyoviruses accounted for 1.92% to >10% of the total viral community. A phylogenetic analysis showed that the g20 sequences in the Shantou coastal waters were very diverse, distributed in eight distinct operational taxonomic units, including the newly formed Cluster W. The g20 gene copies inferred from real time PCR assay indicated that cyanomyoviruses were correlated significantly with the heterotrophic bacteria numbers and the nitrate and chlorophyll a concentrations. These results suggest that cyanomyoviruses are ubiquitous and are an abundant component of the virioplankton in Shantou coastal waters.

  4. Stability of Liquid Water on a Land Planet: Wider Habitable Zone for a Less Water Planet than an Aqua Planet

    NASA Astrophysics Data System (ADS)

    Abe, Y.; Abe-Ouchi, A.

    2005-12-01

    Most of the previous studies on the habitable zone implicitly assume an ocean-covered 'aqua' planet that has a large amount of liquid water like the present Earth. However, there is a possibility of a habitable 'land' planet that is covered by vast dry desert but has locally abundant water. Ancient Mars might be in such a state. The conditions for the stability of liquid water can be different for a less water land planet from that of an aqua planet, because both the ice-albedo feedback, which causes the complete freezing, and the runaway greenhouse, which causes the complete evaporation, are enhanced by abundant water. Here, we investigated the condition for the solar flux that cause the complete freezing or evaporation of liquid water on a land planet using a general circulation model. We use a general circulation model, CCSR/NIES AGCM5.4g, which have been developed for the Earth's climate modeling by the Centre for Climate System Research, University of Tokyo and the National Institute for Environmental Research. To compare a land planet with an aqua planet, we consider an Earth-sized planet without topography with 1 bar air atmosphere on a circular orbit. The distribution of water on a land planet is completely determined by the atmospheric circulation. On a land planet, complete freezing and complete evaporation of water occurred at the 77% and 170% of the present Earth's solar flux, respectively. On the other hand, complete freezing and evaporation of an aqua planet occurs at 90% and about 130%, respectively. The absolute values of the criteria depends on the abundance of the greenhouse gases. However, the relative values between the land and aqua planets would not be changed. Thus, a land planet shows stronger resistance to both the complete freezing and evaporation of liquid water than an aqua planet. The stability field of liquid water is quite wide on a land planet compared with that of an aqua planet. It suggests that a water rich aqua planet may not be

  5. Hydrogen bonding in protic ionic liquids: reminiscent of water.

    PubMed

    Fumino, Koichi; Wulf, Alexander; Ludwig, Ralf

    2009-01-01

    Similarities and differences: Far-infrared spectra of protic ionic liquids could be assigned to intermolecular bending and stretching modes of hydrogen bonds. The characteristics of the low-frequency spectra resemble those of water. Both liquids form three-dimensional network structures, but only water is capable of building tetrahedral configurations. EAN: ethylammonium nitrate, PAN: propylammonium nitrate, DMAN: dimethylammonium nitrate.

  6. Abundance and physiology of dominant soft corals linked to water quality in Jakarta Bay, Indonesia

    PubMed Central

    Januar, Indra; Wild, Christian; Kunzmann, Andreas

    2016-01-01

    Declining water quality is one of the main reasons of coral reef degradation in the Thousand Islands off the megacity Jakarta, Indonesia. Shifts in benthic community composition to higher soft coral abundances have been reported for many degraded reefs throughout the Indo-Pacific. However, it is not clear to what extent soft coral abundance and physiology are influenced by water quality. In this study, live benthic cover and water quality (i.e. dissolved inorganic nutrients (DIN), turbidity (NTU), and sedimentation) were assessed at three sites (< 20 km north of Jakarta) in Jakarta Bay (JB) and five sites along the outer Thousand Islands (20–60 km north of Jakarta). This was supplemented by measurements of photosynthetic yield and, for the first time, respiratory electron transport system (ETS) activity of two dominant soft coral genera, Sarcophyton spp. and Nephthea spp. Findings revealed highly eutrophic water conditions in JB compared to the outer Thousand Islands, with 44% higher DIN load (7.65 μM/L), 67% higher NTU (1.49 NTU) and 47% higher sedimentation rate (30.4 g m−2 d−1). Soft corals were the dominant type of coral cover within the bay (2.4% hard and 12.8% soft coral cover) compared to the outer Thousand Islands (28.3% hard and 6.9% soft coral cover). Soft coral abundances, photosynthetic yield, and ETS activity were highly correlated with key water quality parameters, particularly DIN and sedimentation rates. The findings suggest water quality controls the relative abundance and physiology of dominant soft corals in JB and may thus contribute to phase shifts from hard to soft coral dominance, highlighting the need to better manage water quality in order to prevent or reverse phase shifts. PMID:27904802

  7. Abundance and physiology of dominant soft corals linked to water quality in Jakarta Bay, Indonesia.

    PubMed

    Baum, Gunilla; Januar, Indra; Ferse, Sebastian C A; Wild, Christian; Kunzmann, Andreas

    2016-01-01

    Declining water quality is one of the main reasons of coral reef degradation in the Thousand Islands off the megacity Jakarta, Indonesia. Shifts in benthic community composition to higher soft coral abundances have been reported for many degraded reefs throughout the Indo-Pacific. However, it is not clear to what extent soft coral abundance and physiology are influenced by water quality. In this study, live benthic cover and water quality (i.e. dissolved inorganic nutrients (DIN), turbidity (NTU), and sedimentation) were assessed at three sites (< 20 km north of Jakarta) in Jakarta Bay (JB) and five sites along the outer Thousand Islands (20-60 km north of Jakarta). This was supplemented by measurements of photosynthetic yield and, for the first time, respiratory electron transport system (ETS) activity of two dominant soft coral genera, Sarcophyton spp. and Nephthea spp. Findings revealed highly eutrophic water conditions in JB compared to the outer Thousand Islands, with 44% higher DIN load (7.65 μM/L), 67% higher NTU (1.49 NTU) and 47% higher sedimentation rate (30.4 g m(-2) d(-1)). Soft corals were the dominant type of coral cover within the bay (2.4% hard and 12.8% soft coral cover) compared to the outer Thousand Islands (28.3% hard and 6.9% soft coral cover). Soft coral abundances, photosynthetic yield, and ETS activity were highly correlated with key water quality parameters, particularly DIN and sedimentation rates. The findings suggest water quality controls the relative abundance and physiology of dominant soft corals in JB and may thus contribute to phase shifts from hard to soft coral dominance, highlighting the need to better manage water quality in order to prevent or reverse phase shifts.

  8. The glass-liquid transition of water on hydrophobic surfaces.

    PubMed

    Souda, Ryutaro

    2008-09-28

    Interactions of thin water films with surfaces of graphite and vitrified room-temperature ionic liquid [1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF(6)])] were investigated using time-of-flight secondary ion mass spectrometry as a function of temperature and annealing time to elucidate the glass-liquid transition of water at the molecular level. Surface diffusion of water occurs at temperatures higher than 120 K, thereby forming three-dimensional clusters (a two-dimensional layer) on the [bmim][PF(6)] (graphite) surface. The hydrophobic effect of the surface decreases with increasing coverage of water; the bulklike properties evolve up to 40 ML, as evidenced by the occurrence of film dewetting at around the conventional glass transition temperature (140 K). Results also showed that aging is necessary for the water monolayer (a 40 ML water film) to dewet the graphite ([bmim][PF(6)]) surface. The occurrence of aging is explainable by the successive evolution of two distinct liquids during the glass-liquid transition: low density liquid is followed by supercooled liquid water. The water monolayer on graphite is characterized by the preferred orientation of unpaired OH groups toward the surface; this structure is arrested during the aging time despite the occurrence of surface diffusion. However, the water monolayer formed on the [bmim][PF(6)] surface agglomerates immediately after the commencement of surface diffusion. The structure of low density liquid tends to be arrested by the attractive interaction with the neighbors.

  9. Meridional Martian water abundance profiles during the 1988-1989 season

    NASA Technical Reports Server (NTRS)

    Rizk, B.; Wells, W. K.; Hunten, D. M.; Stoker, C. R.; Freedman, R. S.; Roush, T.; Pollack, J. B.; Haberle, R. M.

    1991-01-01

    The Martian southern hemisphere atmospheric water vapor column abundance measurements reported agree with Viking Orbiter atmospheric water detectors during early southern spring and southern autumnal equinox; profiles obtained in southern mid- and late summer, however, indicate the presence of twice as much water both in the southern hemisphere and planetwide. This discrepancy is accounted for by the high optical depths created by two global dust storms during the Viking year, while the present observations were obtained in the case of the relatively dust-free atmosphere of the 1988-1989 opposition.

  10. Liquid-liquid equilibria of water + methanol + 1-octanol and water + ethanol + 1-octanol at various temperatures

    SciTech Connect

    Arce, A.; Blanco, A.; Souza, P.; Vidal, I. . Dept. of Chemical Engineering)

    1994-04-01

    This study is part of a wider program of research on the recovery of light alcohols from dilute aqueous solutions using high molecular weight solvents. The authors report liquid-liquid equilibrium data and binodal curves for the systems water + methanol + 1-octanol and water + ethanol + 1-octanol at 25, 35, and 45 C. The data were fitted to the NRTL and UNIQUAC equations.

  11. Evidence for Recent Liquid Water on Mars

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This image, acquired by the Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) in May 2000 shows numerous examples of martian gullies that all start--or head--in a specific layer roughly a hundred meters beneath the surface of Mars. These features are located on the south-facing wall of a trough in the Gorgonum Chaos region, an area found to have many examples of gullies proposed to have formed by seepage and runoff of liquid water in recent martian times. The layer from which the gullies emanate has recessed backward to form an overhang beneath a harder layer of rock. The larger gullies have formed an alcove--an area above the overhang from which debris has collapsed to leave a dark-toned scar. Below the layer of seepage is found a dark, narrow channel that runs down the slope to an apron of debris. The small, bright, parallel features at the base of the cliff at the center-right of the picture is a series of large windblown ripples. Although the dark tone of the alcoves and channels in this image is not likely to be the result of wet ground (the contrast in this image has been enhanced), it does suggest that water has seeped out of the ground and moved down the slope quite recently. Sharp contrasts between dark and light areas are hard to maintain on Mars for very long periods of time because dust tends to coat surfaces and reduce brightness differences. To keep dust from settling on a surface, it has to have undergone some process of erosion (wind, landslides, water runoff) relatively recently. There is no way to know how recent this activity was, but educated guesses center between a few to tens of years, and it is entirely possible that the area shown in this image has water seeping out of the ground today. Centered near 37.9S, 170.2W, sunlight illuminates the MOC image from the upper left, north is toward the upper right. The context view above is from the Viking 1 orbiter and was acquired in 1977. The Viking picture is illuminated from the upper right

  12. Stability of Liquid Water on a Land Planet: Wider Habitable Zone for a Less Water Planet than an Aqua Planet

    NASA Astrophysics Data System (ADS)

    Abe, Y.; Abe-Ouchi, A.; Zahnle, K. J.

    2009-12-01

    Most of the previous studies on the habitable zone implicitly assume an ocean-covered 'aqua' planet that has a large amount of liquid water like the present Earth. However, there is a possibility of a habitable 'land' planet that is covered by vast dry desert but has locally abundant water. The land planet state is expected when the fraction of water covered areas is less than about half of surface. Ancient Mars might be in such a state. The conditions for the existence of liquid water can be different for a less water land planet from that of an aqua planet, because both the ice-albedo feedback, which causes the complete freezing, and the runaway greenhouse, which causes the complete evaporation, are enhanced by abundant water. Here, we investigated the condition for the solar flux that cause the complete freezing or evaporation of liquid water on a land planet using a general circulation model. We use a general circulation model, CCSR/NIES AGCM5.4g, which have been developed for the Earth’s climate modeling by the Centre for Climate System Research, University of Tokyo and the National Institute for Environmental Research. To compare a land planet with an aqua planet, we consider an Earth-sized planet without topography with 1 bar air atmosphere on a circular orbit. The distribution of water on a land planet is completely determined by the atmospheric circulation. On a land planet, complete freezing and complete evaporation of water occurred at the 77% and 170% of the present Earth's solar flux, respectively. On the other hand, complete freezing and evaporation of an aqua planet occurs at 90% and about 130%, respectively. Thus, a land planet shows stronger resistance to both the complete freezing and evaporation of liquid water than an aqua planet. The stability field of liquid water is quite wide on a land planet compared with that of an aqua planet. In addition, escape flux of water from a land planet is very small because of dry upper atmosphere. It suggests

  13. Associations between water physicochemistry and Prymnesium parvum presence, abundance, and toxicity in west Texas reservoirs

    USGS Publications Warehouse

    VanLandeghem, Matthew M.; Farooqi, Mukhtar; Southard, Greg M.; Patino, Reynaldo

    2015-01-01

    Toxic blooms of golden alga (Prymnesium parvum) have caused substantial ecological and economic harm in freshwater and marine systems throughout the world. In North America, toxic blooms have impacted freshwater systems including large reservoirs. Management of water chemistry is one proposed option for golden alga control in these systems. The main objective of this study was to assess physicochemical characteristics of water that influence golden alga presence, abundance, and toxicity in the Upper Colorado River basin (UCR) in Texas. The UCR contains reservoirs that have experienced repeated blooms and other reservoirs where golden alga is present but has not been toxic. We quantified golden alga abundance (hemocytometer counts), ichthyotoxicity (bioassay), and water chemistry (surface grab samples) at three impacted reservoirs on the Colorado River; two reference reservoirs on the Concho River; and three sites at the confluence of these rivers. Sampling occurred monthly from January 2010 to July 2011. Impacted sites were characterized by higher specific conductance, calcium and magnesium hardness, and fluoride than reference and confluence sites. At impacted sites, golden alga abundance and toxicity were positively associated with salinity-related variables and blooms peaked at ~10°C and generally did not occur above 20°C. Overall, these findings suggest management of land and water use to reduce hardness or salinity could produce unfavorable conditions for golden alga.

  14. On the Abundance of Water in Extrasolar Planetary Systems as a Function of Stellar Metallicity

    NASA Astrophysics Data System (ADS)

    Dominguez, Gerardo

    2016-06-01

    The discovery, to date, of several hundred confirmed extra solar planets and a statistical analysis of their properties has revealed intriguing patterns in the abundance and types of extrasolar planets. The metallicity of the host star appears to be a driver in determining extrasolar planetary system characteristics, although a mechanistic understanding of these relationships is not currently available. Understanding the broad relationship(s) between the characteristics of extrasolar planets and stellar metallicity thus appears timely.Recent work examining the timescales for water production in protoplanetary disks suggest that ionizing radiation required to drive surface chemistry in protoplanetary disks is insufficient and production timescales too slow to account for a significant amount of water in protoplanetary disks. Here we focus on the timescales for water production in cold molecular clouds and examine the relationship of this timescale as a function of molecular cloud metallicity. To do this, we consider the distribution of surface area concentration (dA/dV) in molecular clouds as a function of their metallicity and various MRN-like dust grain size distributions. We find that molecular cloud metallicity is a significant factor in determining upper-limits to the availability of water in molecular clouds and by extension, protoplanetary disks. The spectral index of the MRN distribution affects the upper-limits to H2O abundance, but the effect is not as significant as metallicity. We find that the ratio of H2O/SiO2 produced in a molecular cloud of solar metallicity can easily account for Earth’s present day ratio , supporting the “wet” hypothesis for the origins of Earth’s water. Future studies will focus on the retention of water on interstellar dust grain surfaces in protoplanetary disk environments inside the water line, the abundance of other volatile species, more detailed estimates of H2O destruction timescales in molecular clouds, and

  15. Species, Abundance and Function of Ammonia-oxidizing Archaea in Inland Waters across China

    PubMed Central

    Zhou, Leiliu; Wang, Shanyun; Zou, Yuxuan; Xia, Chao; Zhu, Guibing

    2015-01-01

    Ammonia oxidation is the first step in nitrification and was thought to be performed solely by specialized bacteria. The discovery of ammonia-oxidizing archaea (AOA) changed this view. We examined the large scale and spatio-temporal occurrence, abundance and role of AOA throughout Chinese inland waters (n = 28). Molecular survey showed that AOA was ubiquitous in inland waters. The existence of AOA in extreme acidic, alkaline, hot, cold, eutrophic and oligotrophic environments expanded the tolerance limits of AOA, especially their known temperature tolerance to −25 °C, and substrate load to 42.04 mM. There were spatio-temporal divergences of AOA community structure in inland waters, and the diversity of AOA in inland water ecosystems was high with 34 observed species-level operational taxonomic units (OTUs; based on a 15% cutoff) distributed widely in group I.1b, I.1a, and I.1a-associated. The abundance of AOA was quite high (8.5 × 104 to 8.5 × 109 copies g−1), and AOA outnumbered ammonia-oxidizing bacteria (AOB) in the inland waters where little human activities were involved. On the whole AOB predominate the ammonia oxidation rate over AOA in inland water ecosystems, and AOA play an indispensable role in global nitrogen cycle considering that AOA occupy a broader habitat range than AOB, especially in extreme environments. PMID:26522086

  16. Species, Abundance and Function of Ammonia-oxidizing Archaea in Inland Waters across China

    NASA Astrophysics Data System (ADS)

    Zhou, Leiliu; Wang, Shanyun; Zou, Yuxuan; Xia, Chao; Zhu, Guibing

    2015-11-01

    Ammonia oxidation is the first step in nitrification and was thought to be performed solely by specialized bacteria. The discovery of ammonia-oxidizing archaea (AOA) changed this view. We examined the large scale and spatio-temporal occurrence, abundance and role of AOA throughout Chinese inland waters (n = 28). Molecular survey showed that AOA was ubiquitous in inland waters. The existence of AOA in extreme acidic, alkaline, hot, cold, eutrophic and oligotrophic environments expanded the tolerance limits of AOA, especially their known temperature tolerance to -25 °C, and substrate load to 42.04 mM. There were spatio-temporal divergences of AOA community structure in inland waters, and the diversity of AOA in inland water ecosystems was high with 34 observed species-level operational taxonomic units (OTUs; based on a 15% cutoff) distributed widely in group I.1b, I.1a, and I.1a-associated. The abundance of AOA was quite high (8.5 × 104 to 8.5 × 109 copies g-1), and AOA outnumbered ammonia-oxidizing bacteria (AOB) in the inland waters where little human activities were involved. On the whole AOB predominate the ammonia oxidation rate over AOA in inland water ecosystems, and AOA play an indispensable role in global nitrogen cycle considering that AOA occupy a broader habitat range than AOB, especially in extreme environments.

  17. Isotope effects in liquid water by infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Max, Jean-Joseph; Chapados, Camille

    2002-03-01

    The light and heavy liquid water (H2O-D2O) mixtures in the 0-1 molar fraction were studied in the mid-infrared by Fourier transform infrared attenuated total reflectance (FTIR-ATR) spectroscopy. Five principal factors were retrieved by factor analysis (FA). When D2O is mixed with H2O, the HDO formed because of the hopping nature of the proton (H or D) results in three types of molecules in equilibrium. Because of the nearest-neighbor interactions, the three molecules give rise to nine species. Some of the species evolve concomitantly with other species giving the five principal factors observed. We present the spectra of these factors with their abundances. The calculated probability of the species present at different molar fractions which when the concomitant species are combined gives the observed abundances. To appreciate clearly the difference between the principal spectra, a Gaussian simulation of the bands was made. Because of the numerous components that make up the stretch bands, they are not very sensitive to changes in composition of the solutions; nevertheless, they do indicate the presence of new entities other than the pure species. The deformation bands, more sensitive to such changes than the stretch bands, clearly indicate the presence of the three types of molecules as well as of intermediate species. These bands are sensitive to the two hydrogen bonds on the oxygen atom that a reference molecule makes with its nearest-neighbors, but not to the hydrogen bonds that the nearest-neighbors make with the next nearest neighbors.

  18. Observed reflectivities and liquid water content for marine stratocumulus

    NASA Technical Reports Server (NTRS)

    Coakley, J. A., Jr.; Snider, J. B.

    1989-01-01

    Simultaneous observations of cloud liquid water content and cloud reflectivity are used to verify their parametric relationship in a manner consistent with simple parameterizations often used in general-circulation climate models. The column amount of cloud liquid water was measured with a microwave radiometer on San Nicolas Island as described by Hogg et al., (1983). Cloud reflectivity was obtained through spatial coherence analysis of AVHRR imagery data as per Coakley and Baldwin (1984) and Coakley and Beckner (1988). The dependence of the observed reflectivity on the observed liquid water is discussed, and this empirical relationship is compared with the parameterization proposed by Stephens (1978).

  19. Thermoluminescence dosimetry measurements of brachytherapy sources in liquid water

    SciTech Connect

    Tailor, Ramesh; Tolani, Naresh; Ibbott, Geoffrey S.

    2008-09-15

    Radiation therapy dose measurements are customarily performed in liquid water. The characterization of brachytherapy sources is, however, generally based on measurements made with thermoluminescence dosimeters (TLDs), for which contact with water may lead to erroneous readings. Consequently, most dosimetry parameters reported in the literature have been based on measurements in water-equivalent plastics, such as Solid Water. These previous reports employed a correction factor to transfer the dose measurements from a plastic phantom to liquid water. The correction factor most often was based on Monte Carlo calculations. The process of measuring in a water-equivalent plastic phantom whose exact composition may be different from published specifications, then correcting the results to a water medium leads to increased uncertainty in the results. A system has been designed to enable measurements with TLDs in liquid water. This system, which includes jigs to support water-tight capsules of lithium fluoride in configurations suitable for measuring several dosimetric parameters, was used to determine the correction factor from water-equivalent plastic to water. Measurements of several {sup 125}I and {sup 131}Cs prostate brachytherapy sources in liquid water and in a Solid Water phantom demonstrated a correction factor of 1.039{+-}0.005 at 1 cm distance. These measurements are in good agreement with a published value of this correction factor for an {sup 125}I source.

  20. Late embryogenesis abundant proteins: versatile players in the plant adaptation to water limiting environments.

    PubMed

    Olvera-Carrillo, Yadira; Luis Reyes, José; Covarrubias, Alejandra A

    2011-04-01

    Late Embryogenesis Abundant (LEA) proteins accumulate at the onset of seed desiccation and in response to water deficit in vegetative plant tissues. The typical LEA proteins are highly hydrophilic and intrinsically unstructured. They have been classified in different families; each one showing distinctive conserved motifs. In this manuscript we present and discuss some of the recent findings regarding their role in plant adaptation to water deficit, as well as those concerning to their possible function, and how it can be related to their intrinsic structural flexibility.

  1. Glass–liquid transition of water at high pressure

    PubMed Central

    Andersson, Ove

    2011-01-01

    The knowledge of the existence of liquid water under extreme conditions and its concomitant properties are important in many fields of science. Glassy water has previously been prepared by hyperquenching micron-sized droplets of liquid water and vapor deposition on a cold substrate (ASW), and its transformation to an ultraviscous liquid form has been reported on heating. A densified amorphous solid form of water, high-density amorphous ice (HDA), has also been made by collapsing the structure of ice at pressures above 1 GPa and temperatures below approximately 140 K, but a corresponding liquid phase has not been detected. Here we report results of heat capacity Cp and thermal conductivity, in situ, measurements, which are consistent with a reversible transition from annealed HDA to ultraviscous high-density liquid water at 1 GPa and 140 K. On heating of HDA, the Cp increases abruptly by (3.4 ± 0.2) J mol-1 K-1 before crystallization starts at (153 ± 1) K. This is larger than the Cp rise at the glass to liquid transition of annealed ASW at 1 atm, which suggests the existence of liquid water under these extreme conditions. PMID:21690361

  2. Isothermal vapor-liquid equilibria for methanol + ethanol + water, methanol + water, and ethanol + water

    SciTech Connect

    Kurihara, Kiyofumi; Takeda, Kouichi; Kojima, Kazuo; Minoura, Tsuyoshi

    1995-05-01

    Isothermal vapor-liquid equilibria were measured for the ternary system methanol + ethanol + water and its constituent binary systems of methanol + water and ethanol + water at 323.15, 328.15, and 333.15 K. The apparatus that was used made it possible to control the measured temperature and total pressure by computer. The experimental binary data were correlated by the NRTL equation. The ternary system was predicted using the binary NRTL parameters with good accuracy.

  3. Bacterial pathogen gene abundance and relation to recreational water quality at seven Great Lakes beaches.

    PubMed

    Oster, Ryan J; Wijesinghe, Rasanthi U; Haack, Sheridan K; Fogarty, Lisa R; Tucker, Taaja R; Riley, Stephen C

    2014-12-16

    Quantitative assessment of bacterial pathogens, their geographic variability, and distribution in various matrices at Great Lakes beaches are limited. Quantitative PCR (qPCR) was used to test for genes from E. coli O157:H7 (eaeO157), shiga-toxin producing E. coli (stx2), Campylobacter jejuni (mapA), Shigella spp. (ipaH), and a Salmonella enterica-specific (SE) DNA sequence at seven Great Lakes beaches, in algae, water, and sediment. Overall, detection frequencies were mapA>stx2>ipaH>SE>eaeO157. Results were highly variable among beaches and matrices; some correlations with environmental conditions were observed for mapA, stx2, and ipaH detections. Beach seasonal mean mapA abundance in water was correlated with beach seasonal mean log10 E. coli concentration. At one beach, stx2 gene abundance was positively correlated with concurrent daily E. coli concentrations. Concentration distributions for stx2, ipaH, and mapA within algae, sediment, and water were statistically different (Non-Detect and Data Analysis in R). Assuming 10, 50, or 100% of gene copies represented viable and presumably infective cells, a quantitative microbial risk assessment tool developed by Michigan State University indicated a moderate probability of illness for Campylobacter jejuni at the study beaches, especially where recreational water quality criteria were exceeded. Pathogen gene quantification may be useful for beach water quality management.

  4. Space Station Water Processor Mostly Liquid Separator (MLS)

    NASA Technical Reports Server (NTRS)

    Lanzarone, Anthony

    1995-01-01

    This report presents the results of the development testing conducted under this contract to the Space Station Water Processor (WP) Mostly Liquid Separator (MLS). The MLS units built and modified during this testing demonstrated acceptable air/water separation results in a variety of water conditions with inlet flow rates ranging from 60 - 960 LB/hr.

  5. Evidence for the abundance of water on Mars now and in the past

    NASA Technical Reports Server (NTRS)

    Clifford, Stephen M.; Greeley, Ronald; Haberle, Robert M.

    1989-01-01

    This paper discusses evidence for the abundance of water on Mars early in its history, based on the analysis of the Viking 1 and 2 images and the Martian-atmosphere water measurements. It is argued that integrated networks of small valleys in the ancient cratered terrain of Mars may indicate that the planet once possessed a warmer climate. It is pointed out that most Martian outflow channels originate from the regions of collapsed and disrupted terrain, suggesting that they were formed by a catastrophic release of groundwater. The question of the fate of Martian water is discussed, and arguments are presented suggesting that the Martian crust may retain significant porosity to a depth of 10 km and may possess a total pore volume sufficient to store a global layer of water 0.5-1.5 km deep.

  6. Evidence for the abundance of water on Mars now and in the past

    SciTech Connect

    Clifford, S.M.; Greeley, R.; Haberle, R.M.; Arizona State Univ., Tempe; NASA, Ames Research Center, Moffett Field, CA )

    1989-02-01

    This paper discusses evidence for the abundance of water on Mars early in its history, based on the analysis of the Viking 1 and 2 images and the Martian-atmosphere water measurements. It is argued that integrated networks of small valleys in the ancient cratered terrain of Mars may indicate that the planet once possessed a warmer climate. It is pointed out that most Martian outflow channels originate from the regions of collapsed and disrupted terrain, suggesting that they were formed by a catastrophic release of groundwater. The question of the fate of Martian water is discussed, and arguments are presented suggesting that the Martian crust may retain significant porosity to a depth of 10 km and may possess a total pore volume sufficient to store a global layer of water 0.5-1.5 km deep.

  7. Liquid-liquid transition in supercooled water suggested by microsecond simulations.

    PubMed

    Li, Yaping; Li, Jicun; Wang, Feng

    2013-07-23

    The putative liquid-liquid phase transition in supercooled water has been used to explain many anomalous behaviors of water. However, no direct experimental verification of such a phase transition has been accomplished, and theoretical studies from different simulations contradict each other. We investigated the putative liquid-liquid phase transition using the Water potential from Adaptive Force Matching for Ice and Liquid (WAIL). The simulation reveals a first-order phase transition in the supercooled regime with the critical point at ~207 K and 50 MPa. Normal water is high-density liquid (HDL). Low-density liquid (LDL) emerges at lower temperatures. The LDL phase has a density only slightly larger than that of the ice-Ih and shows more long-range order than HDL. However, the transformation from LDL to HDL is spontaneous across the first-order phase transition line, suggesting the LDL configuration is not poorly formed nanocrystalline ice. It has been demonstrated in the past that the WAIL potential provides reliable predictions of water properties such as melting temperature and temperature of maximum density. Compared with other simple water potentials, WAIL is not biased by fitting to experimental properties, and simulation with this potential reflects the prediction of a high-quality first-principle potential energy surface.

  8. Temporal variations in the abundance and composition of biofilm communities colonizing drinking water distribution pipes.

    PubMed

    Kelly, John J; Minalt, Nicole; Culotti, Alessandro; Pryor, Marsha; Packman, Aaron

    2014-01-01

    Pipes that transport drinking water through municipal drinking water distribution systems (DWDS) are challenging habitats for microorganisms. Distribution networks are dark, oligotrophic and contain disinfectants; yet microbes frequently form biofilms attached to interior surfaces of DWDS pipes. Relatively little is known about the species composition and ecology of these biofilms due to challenges associated with sample acquisition from actual DWDS. We report the analysis of biofilms from five pipe samples collected from the same region of a DWDS in Florida, USA, over an 18 month period between February 2011 and August 2012. The bacterial abundance and composition of biofilm communities within the pipes were analyzed by heterotrophic plate counts and tag pyrosequencing of 16S rRNA genes, respectively. Bacterial numbers varied significantly based on sampling date and were positively correlated with water temperature and the concentration of nitrate. However, there was no significant relationship between the concentration of disinfectant in the drinking water (monochloramine) and the abundance of bacteria within the biofilms. Pyrosequencing analysis identified a total of 677 operational taxonomic units (OTUs) (3% distance) within the biofilms but indicated that community diversity was low and varied between sampling dates. Biofilms were dominated by a few taxa, specifically Methylomonas, Acinetobacter, Mycobacterium, and Xanthomonadaceae, and the dominant taxa within the biofilms varied dramatically between sampling times. The drinking water characteristics most strongly correlated with bacterial community composition were concentrations of nitrate, ammonium, total chlorine and monochloramine, as well as alkalinity and hardness. Biofilms from the sampling date with the highest nitrate concentration were the most abundant and diverse and were dominated by Acinetobacter.

  9. Temporal Variations in the Abundance and Composition of Biofilm Communities Colonizing Drinking Water Distribution Pipes

    PubMed Central

    Kelly, John J.; Minalt, Nicole; Culotti, Alessandro; Pryor, Marsha; Packman, Aaron

    2014-01-01

    Pipes that transport drinking water through municipal drinking water distribution systems (DWDS) are challenging habitats for microorganisms. Distribution networks are dark, oligotrophic and contain disinfectants; yet microbes frequently form biofilms attached to interior surfaces of DWDS pipes. Relatively little is known about the species composition and ecology of these biofilms due to challenges associated with sample acquisition from actual DWDS. We report the analysis of biofilms from five pipe samples collected from the same region of a DWDS in Florida, USA, over an 18 month period between February 2011 and August 2012. The bacterial abundance and composition of biofilm communities within the pipes were analyzed by heterotrophic plate counts and tag pyrosequencing of 16S rRNA genes, respectively. Bacterial numbers varied significantly based on sampling date and were positively correlated with water temperature and the concentration of nitrate. However, there was no significant relationship between the concentration of disinfectant in the drinking water (monochloramine) and the abundance of bacteria within the biofilms. Pyrosequencing analysis identified a total of 677 operational taxonomic units (OTUs) (3% distance) within the biofilms but indicated that community diversity was low and varied between sampling dates. Biofilms were dominated by a few taxa, specifically Methylomonas, Acinetobacter, Mycobacterium, and Xanthomonadaceae, and the dominant taxa within the biofilms varied dramatically between sampling times. The drinking water characteristics most strongly correlated with bacterial community composition were concentrations of nitrate, ammonium, total chlorine and monochloramine, as well as alkalinity and hardness. Biofilms from the sampling date with the highest nitrate concentration were the most abundant and diverse and were dominated by Acinetobacter. PMID:24858562

  10. Liquid water in the domain of cubic crystalline ice Ic

    NASA Technical Reports Server (NTRS)

    Jenniskens, P.; Banham, S. F.; Blake, D. F.; McCoustra, M. R.

    1997-01-01

    Vapor-deposited amorphous water ice when warmed above the glass transition temperature (120-140 K), is a viscous liquid which exhibits a viscosity vs temperature relationship different from that of liquid water at room temperature. New studies of thin water ice films now demonstrate that viscous liquid water persists in the temperature range 140-210 K. where it coexists with cubic crystalline ice. The liquid character of amorphous water above the glass transition is demonstrated by (1) changes in the morphology of water ice films on a nonwetting surface observed in transmission electron microscopy (TEM) at around 175 K during slow warming, (2) changes in the binding energy of water molecules measured in temperature programmed desorption (TPD) studies, and (3) changes in the shape of the 3.07 micrometers absorption band observed in grazing angle reflection-absorption infrared spectroscopy (RAIRS) during annealing at high temperature. whereby the decreased roughness of the water surface is thought to cause changes in the selection rules for the excitation of O-H stretch vibrations. Because it is present over such a wide range of temperatures, we propose that this form of liquid water is a common material in nature. where it is expected to exist in the subsurface layers of comets and on the surfaces of some planets and satellites.

  11. Liquid water in the domain of cubic crystalline ice Ic.

    PubMed

    Jenniskens, P; Banham, S F; Blake, D F; McCoustra, M R

    1997-07-22

    Vapor-deposited amorphous water ice when warmed above the glass transition temperature (120-140 K), is a viscous liquid which exhibits a viscosity vs temperature relationship different from that of liquid water at room temperature. New studies of thin water ice films now demonstrate that viscous liquid water persists in the temperature range 140-210 K. where it coexists with cubic crystalline ice. The liquid character of amorphous water above the glass transition is demonstrated by (1) changes in the morphology of water ice films on a nonwetting surface observed in transmission electron microscopy (TEM) at around 175 K during slow warming, (2) changes in the binding energy of water molecules measured in temperature programmed desorption (TPD) studies, and (3) changes in the shape of the 3.07 micrometers absorption band observed in grazing angle reflection-absorption infrared spectroscopy (RAIRS) during annealing at high temperature. whereby the decreased roughness of the water surface is thought to cause changes in the selection rules for the excitation of O-H stretch vibrations. Because it is present over such a wide range of temperatures, we propose that this form of liquid water is a common material in nature. where it is expected to exist in the subsurface layers of comets and on the surfaces of some planets and satellites.

  12. Community composition, abundance and biomass of zooplankton in Zhangzi Island waters, Northern Yellow Sea

    NASA Astrophysics Data System (ADS)

    Yin, Jiehui; Zhang, Guangtao; Li, Chaolun; Wang, Shiwei; Zhao, Zengxia; Wan, Aiyong

    2016-12-01

    Samples were collected monthly from the sea area around Zhangzi Island, northern Yellow Sea, from July 2009 to June 2010. Vertical net towing was used to examine spatial and temporal variability in zooplankton abundance and biomass. Overall, Calanus sinicus and Saggita crassa were the dominant species found during the study period, while the amphipod Themisto gracilipes was dominant in winter and spring. Vast numbers of the ctenophore species of the genus Beroe were found in October and November. It was not possible to count them, but they constituted a large portion of the total zooplankton biomass. Zooplankton species diversity was highest in October, and species evenness was highest in April. Zooplankton abundance (non-jellyfish) and biomass were highest in June and lowest in August, with annual averages of 131.3 ind./m³ and 217.5 mg/m³, respectively. Water temperature may be responsible for the variations in zooplankton abundance and biomass. Beroe biomass was negatively correlated with other zooplankton abundance. Longterm investigations will be carried out to learn more about the influence of the environment on zooplankton assemblages.

  13. Bacterial abundance and diversity in pond water supplied with different feeds

    PubMed Central

    Qin, Ya; Hou, Jie; Deng, Ming; Liu, Quansheng; Wu, Chongwei; Ji, Yingjie; He, Xugang

    2016-01-01

    The abundance and diversity of bacteria in two types of ponds were investigated by quantitative PCR and Illumina MiSeq sequencing. The results revealed that the abundance of bacterial 16S rRNA genes in D ponds (with grass carp fed sudan grass) was significantly lower than that in E ponds (with grass carp fed commercial feed). The microbial communities were dominated by Proteobacteria, Cyanobacteria, Bacteroidetes, and Actinobacteria in both E and D ponds, while the abundance of some genera was significantly different between the two types of ponds. Specifically, some potential pathogens such as Acinetobacter and Aeromonas were found to be significantly decreased, while some probiotics such as Comamonadaceae unclassified and Bacillales unclassified were significantly increased in D ponds. In addition, water quality of D ponds was better than that of E ponds. Temperature, dissolved oxygen and nutrients had significant influence on bacterial communities. The differences in bacterial community compositions between the two types of ponds could be partially explained by the different water conditions. PMID:27759010

  14. Bacterial abundance and diversity in pond water supplied with different feeds

    NASA Astrophysics Data System (ADS)

    Qin, Ya; Hou, Jie; Deng, Ming; Liu, Quansheng; Wu, Chongwei; Ji, Yingjie; He, Xugang

    2016-10-01

    The abundance and diversity of bacteria in two types of ponds were investigated by quantitative PCR and Illumina MiSeq sequencing. The results revealed that the abundance of bacterial 16S rRNA genes in D ponds (with grass carp fed sudan grass) was significantly lower than that in E ponds (with grass carp fed commercial feed). The microbial communities were dominated by Proteobacteria, Cyanobacteria, Bacteroidetes, and Actinobacteria in both E and D ponds, while the abundance of some genera was significantly different between the two types of ponds. Specifically, some potential pathogens such as Acinetobacter and Aeromonas were found to be significantly decreased, while some probiotics such as Comamonadaceae unclassified and Bacillales unclassified were significantly increased in D ponds. In addition, water quality of D ponds was better than that of E ponds. Temperature, dissolved oxygen and nutrients had significant influence on bacterial communities. The differences in bacterial community compositions between the two types of ponds could be partially explained by the different water conditions.

  15. NEBULAR WATER DEPLETION AS THE CAUSE OF JUPITER'S LOW OXYGEN ABUNDANCE

    SciTech Connect

    Mousis, Olivier; Madhusudhan, Nikku; Johnson, Torrence V.

    2012-05-20

    Motivated by recent spectroscopic observations suggesting that atmospheres of some extrasolar giant planets are carbon-rich, i.e., carbon/oxygen ratio (C/O) {>=} 1, we find that the whole set of compositional data for Jupiter is consistent with the hypothesis that it should be a carbon-rich giant planet. We show that the formation of Jupiter in the cold outer part of an oxygen-depleted disk (C/O {approx} 1) reproduces the measured Jovian elemental abundances at least as well as the hitherto canonical model of Jupiter formed in a disk of solar composition (C/O 0.54). The resulting O abundance in Jupiter's envelope is then moderately enriched by a factor of {approx}2 Multiplication-Sign solar (instead of {approx}7 Multiplication-Sign solar) and is found to be consistent with values predicted by thermochemical models of the atmosphere. That Jupiter formed in a disk with C/O {approx} 1 implies that water ice was heterogeneously distributed over several AU beyond the snow line in the primordial nebula and that the fraction of water contained in icy planetesimals was a strong function of their formation location and time. The Jovian oxygen abundance to be measured by NASA's Juno mission en route to Jupiter will provide a direct and strict test of our predictions.

  16. Seasonal variation in sea turtle density and abundance in the southeast Florida current and surrounding waters

    DOE PAGES

    Bovery, Caitlin M.; Wyneken, Jeanette

    2015-12-30

    Assessment and management of sea turtle populations is often limited by a lack of available data pertaining to at-sea distributions at appropriate spatial and temporal resolutions. Assessing the spatial and temporal distributions of marine turtles in an open system poses both observational and analytical challenges due to the turtles’ highly migratory nature. Surface counts of marine turtles in waters along the southern part of Florida’s east coast were made in and adjacent to the southeast portion of the Florida Current using standard aerial surveys during 2011 and 2012 to assess their seasonal presence. This area is of particular concern formore » sea turtles as interest increases in offshore energy developments, specifically harnessing the power of the Florida Current. While it is understood that marine turtles use these waters, here we evaluate seasonal variation in sea turtle abundance and density over two years. Density of sea turtles observed within the study area ranged from 0.003 turtles km-2 in the winter of 2011 to 0.064 turtles km-2 in the spring of 2012. As a result, this assessment of marine turtles in the waters off southeast Florida quantifies their in-water abundance across seasons in this area to establish baselines and inform future management strategies of these protected species.« less

  17. Seasonal variation in sea turtle density and abundance in the southeast Florida current and surrounding waters

    SciTech Connect

    Bovery, Caitlin M.; Wyneken, Jeanette

    2015-12-30

    Assessment and management of sea turtle populations is often limited by a lack of available data pertaining to at-sea distributions at appropriate spatial and temporal resolutions. Assessing the spatial and temporal distributions of marine turtles in an open system poses both observational and analytical challenges due to the turtles’ highly migratory nature. Surface counts of marine turtles in waters along the southern part of Florida’s east coast were made in and adjacent to the southeast portion of the Florida Current using standard aerial surveys during 2011 and 2012 to assess their seasonal presence. This area is of particular concern for sea turtles as interest increases in offshore energy developments, specifically harnessing the power of the Florida Current. While it is understood that marine turtles use these waters, here we evaluate seasonal variation in sea turtle abundance and density over two years. Density of sea turtles observed within the study area ranged from 0.003 turtles km-2 in the winter of 2011 to 0.064 turtles km-2 in the spring of 2012. As a result, this assessment of marine turtles in the waters off southeast Florida quantifies their in-water abundance across seasons in this area to establish baselines and inform future management strategies of these protected species.

  18. Seasonal Variation in Sea Turtle Density and Abundance in the Southeast Florida Current and Surrounding Waters.

    PubMed

    Bovery, Caitlin M; Wyneken, Jeanette

    2015-01-01

    Assessment and management of sea turtle populations is often limited by a lack of available data pertaining to at-sea distributions at appropriate spatial and temporal resolutions. Assessing the spatial and temporal distributions of marine turtles in an open system poses both observational and analytical challenges due to the turtles' highly migratory nature. Surface counts of marine turtles in waters along the southern part of Florida's east coast were made in and adjacent to the southeast portion of the Florida Current using standard aerial surveys during 2011 and 2012 to assess their seasonal presence. This area is of particular concern for sea turtles as interest increases in offshore energy developments, specifically harnessing the power of the Florida Current. While it is understood that marine turtles use these waters, here we evaluate seasonal variation in sea turtle abundance and density over two years. Density of sea turtles observed within the study area ranged from 0.003 turtles km-2 in the winter of 2011 to 0.064 turtles km-2 in the spring of 2012. This assessment of marine turtles in the waters off southeast Florida quantifies their in-water abundance across seasons in this area to establish baselines and inform future management strategies of these protected species.

  19. Seasonal Variation in Sea Turtle Density and Abundance in the Southeast Florida Current and Surrounding Waters

    PubMed Central

    Bovery, Caitlin M.; Wyneken, Jeanette

    2015-01-01

    Assessment and management of sea turtle populations is often limited by a lack of available data pertaining to at-sea distributions at appropriate spatial and temporal resolutions. Assessing the spatial and temporal distributions of marine turtles in an open system poses both observational and analytical challenges due to the turtles’ highly migratory nature. Surface counts of marine turtles in waters along the southern part of Florida’s east coast were made in and adjacent to the southeast portion of the Florida Current using standard aerial surveys during 2011 and 2012 to assess their seasonal presence. This area is of particular concern for sea turtles as interest increases in offshore energy developments, specifically harnessing the power of the Florida Current. While it is understood that marine turtles use these waters, here we evaluate seasonal variation in sea turtle abundance and density over two years. Density of sea turtles observed within the study area ranged from 0.003 turtles km-2 in the winter of 2011 to 0.064 turtles km-2 in the spring of 2012. This assessment of marine turtles in the waters off southeast Florida quantifies their in-water abundance across seasons in this area to establish baselines and inform future management strategies of these protected species. PMID:26717520

  20. Evidence for Recent Liquid Water on Mars

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Gullies eroded into the wall of a meteor impact crater in Noachis Terra. This high resolution view (top left) from the Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) shows channels and associated aprons of debris that are interpreted to have formed by groundwater seepage, surface runoff, and debris flow. The lack of small craters superimposed on the channels and apron deposits indicates that these features are geologically young. It is possible that these gullies indicate that liquid water is present within the martian subsurface today. The MOC image was acquired on September 28, 1999. The scene covers an area approximately 3 kilometers (1.9 miles) wide by 6.7 km (4.1 mi) high (note, the aspect ratio is 1.5 to 1.0). Sunlight illuminates this area from the upper left. The image is located near 54.8S, 342.5W. The context image (above) shows the location of the MOC image on the south-facing wall of an impact crater approximately 20 kilometers (12 miles) in diameter. The context picture was obtained by the Viking 1 orbiter in 1980 and is illuminated from the upper left. The large mound on the floor of the crater in the context view is a sand dune field. The Mars Orbiter Camera high resolution images are taken black-and-white (grayscale); the color seen here has been synthesized from the colors of Mars observed by the MOC wide angle cameras and by the Viking Orbiters in the late 1970s. A brief description of how the color was generated: The MOC narrow angle camera only takes grayscale (black and white) pictures. To create the color versions seen here, we have taken much lower resolution red and blue images acquired by the MOC's wide angle cameras, and by the Viking Orbiter cameras in the 1970s, synthesized a green image by averaging red and blue, and created a pallete of colors that represent the range of colors on Mars. We then use a relationship that correlates color and brightness to assign a color to each gray level. This is only a crude approximation of

  1. Seagrass distribution and abundance in Eastern Gulf of Mexico coastal waters

    NASA Astrophysics Data System (ADS)

    Iverson, Richard L.; Bittaker, Henry F.

    1986-05-01

    The marine angiosperms Thalassia testudinum, Syringodium filiforme, and Halodule wrightii form two of the largest reported seagrass beds along the northwest and southern coasts of Florida where they cover about 3000 square km in the Big Bend area and about 5500 square km in Florida Bay, respectively. Most of the leaf biomass in the Big Bend area and outer Florida Bay was composed of Thalassia testudinum and Syringodium filiforme which were distributed throughout the beds but which were more abundant in shallow depths. A short-leaved form of Halodule wrightii grew in monotypic stands in shallow water near the inner edges of the beds, while Halophila decipiens and a longer-leaved variety of H. wrightii grew scattered throughout the beds, in monotypic stands near the outer edges of the beds, and in deeper water outside the beds. Halophila engelmanni was observed scattered at various depths throughout the seagrass beds and in monospecific patches in deep water outside the northern bed. Ruppia maritima grew primarily in brackish water around river mouths. The cross-shelf limits of the two major seagrass beds are controlled nearshore by increased water turbidity and lower salinity around river mouths and off-shore by light penetration to depths which receive 10% or more of sea surface photosynthetically active radiation. Seagrasses form large beds only along low energy reaches of the coast. The Florida Bay seagrass bed contained about twice the short-shoot density of both Thalassia testudinum and Syringodium filiforme, for data averaged over all depths, and about four times the average short-shoot density of both species in shallow water compared with the Big Bend seagrass bed. The differences in average seagrass abundance between Florida Bay and the Big Bend area may be a consequence of the effects of greater seasonal solar radiation and water temperature fluctuations experienced by plants in the northern bed, which lies at the northern distribution limit for American

  2. Water: The Liquid of Life. Fifth Grade.

    ERIC Educational Resources Information Center

    Illinois State Environmental Protection Agency, Springfield.

    These materials are for use by elementary and middle school teachers in the state of Illinois. This document contains five modules for teaching water conservation. Topics include: (1) "Life Depends on Water,""What is Water?" and "The Hydrologic Cycle"; (2) "The Treatment of Drinking Water"; (3)…

  3. Water oxidation using earth-abundant transition metal catalysts: opportunities and challenges.

    PubMed

    Kärkäs, Markus D; Åkermark, Björn

    2016-10-07

    Catalysts for the oxidation of H2O are an integral component of solar energy to fuel conversion technologies. Although catalysts based on scarce and precious metals have been recognized as efficient catalysts for H2O oxidation, catalysts composed of inexpensive and earth-abundant element(s) are essential for realizing economically viable energy conversion technologies. This Perspective summarizes recent advances in the field of designing homogeneous water oxidation catalysts (WOCs) based on Mn, Fe, Co and Cu. It reviews the state of the art catalysts, provides insight into their catalytic mechanisms and discusses future challenges in designing bioinspired catalysts based on earth-abundant metals for the oxidation of H2O.

  4. Process for blending coal with water immiscible liquid

    DOEpatents

    Heavin, Leonard J.; King, Edward E.; Milliron, Dennis L.

    1982-10-26

    A continuous process for blending coal with a water immiscible liquid produces a uniform, pumpable slurry. Pulverized raw feed coal and preferably a coal derived, water immiscible liquid are continuously fed to a blending zone (12 and 18) in which coal particles and liquid are intimately admixed and advanced in substantially plug flow to form a first slurry. The first slurry is withdrawn from the blending zone (12 and 18) and fed to a mixing zone (24) where it is mixed with a hot slurry to form the pumpable slurry. A portion of the pumpable slurry is continuously recycled to the blending zone (12 and 18) for mixing with the feed coal.

  5. Ice-Crystal Fallstreaks from Supercooled Liquid Water Parent Clouds

    NASA Technical Reports Server (NTRS)

    Campbell, James R.; O'C. Starr, David; Welton, Ellsworth J.; Spinhirne, James D.; Ferrare, Richard A.

    2003-01-01

    On 31 December 2001, ice-crystal fallstreaks (e.g., cirrus uncinus, or colloquially "Mare's Tails") from supercooled liquid water parent clouds were observed by ground-based lidars pointed vertically from the Atmospheric Radiation Measurement Southern Great Plains (SGP) facility near Lamont, Oklahoma. The incidence of liquid phase cloud with apparent ice-phase precipitation is investigated. Scenarios for mixed-phase particle nucleation, and fallstreak formation and sustenance are discussed. The observations are unique in the context of the historical reverence given to the commonly observed c h s uncinus fallstreak (wholly ice) versus this seemingly contradictory coincidence of liquid water begetting ice-crystal streaks.

  6. Cluster Monte Carlo and numerical mean field analysis for the water liquid-liquid phase transition

    NASA Astrophysics Data System (ADS)

    Mazza, Marco G.; Stokely, Kevin; Strekalova, Elena G.; Stanley, H. Eugene; Franzese, Giancarlo

    2009-04-01

    Using Wolff's cluster Monte Carlo simulations and numerical minimization within a mean field approach, we study the low temperature phase diagram of water, adopting a cell model that reproduces the known properties of water in its fluid phases. Both methods allow us to study the thermodynamic behavior of water at temperatures, where other numerical approaches - both Monte Carlo and molecular dynamics - are seriously hampered by the large increase of the correlation times. The cluster algorithm also allows us to emphasize that the liquid-liquid phase transition corresponds to the percolation transition of tetrahedrally ordered water molecules.

  7. Liquid Water in the Extremely Shallow Martian Subsurface

    NASA Technical Reports Server (NTRS)

    Pavlov, A.; Shivak, J. N.

    2012-01-01

    Availability of liquid water is one of the major constraints for the potential Martian biosphere. Although liquid water is unstable on the surface of Mars due to low atmospheric pressures, it has been suggested that liquid films of water could be present in the Martian soil. Here we explored a possibility of the liquid water formation in the extremely shallow (1-3 cm) subsurface layer under low atmospheric pressures (0.1-10 mbar) and low ("Martian") surface temperatures (approx.-50 C-0 C). We used a new Goddard Martian simulation chamber to demonstrate that even in the clean frozen soil with temperatures as low as -25C the amount of mobile water can reach several percents. We also showed that during brief periods of simulated daylight warming the shallow subsurface ice sublimates, the water vapor diffuses through porous surface layer of soil temporarily producing supersaturated conditions in the soil, which leads to the formation of additional liquid water. Our results suggest that despite cold temperatures and low atmospheric pressures, Martian soil just several cm below the surface can be habitable.

  8. Review: Drinking water for liquid-fed pigs.

    PubMed

    Meunier-Salaün, M-C; Chiron, J; Etore, F; Fabre, A; Laval, A; Pol, F; Prunier, A; Ramonet, Y; Nielsen, B L

    2016-11-07

    Liquid feeding has the potential to provide pigs with sufficient water to remain hydrated and prevent prolonged thirst. However, lack of permanent access to fresh water prevents animals from drinking when they are thirsty. Moreover, individual differences between pigs in a pen may result in uneven distribution of the water provided by the liquid feed, leading to some pigs being unable to meet their water requirements. In this review, we look at the need for and provision of water for liquid-fed pigs in terms of their production performance, behaviour, health and welfare. We highlight factors which may lead to water ingestion above or below requirements. Increases in the need for water may be caused by numerous factors such as morbidity, ambient temperature or competition within the social group, emphasising the necessity of permanent access to water as also prescribed in EU legislation. The drinkers can be the target of redirected behaviour in response to feed restriction or in the absence of rooting materials, thereby generating water losses. The method of water provision and drinker design is critical to ensure easy access to water regardless of the pig's physiological state, and to limit the amount of water used, which does not benefit the pig.

  9. Sims Analysis of Water Abundance and Hydrogen Isotope in Lunar Highland Plagioclase

    NASA Technical Reports Server (NTRS)

    Hui, Hejiu; Guan, Yunbin; Chen, Yang; Peslier, Anne H.; Zhang, Youxue; Liu, Yang; Rossman, George R.; Eiler, John M.; Neal, Clive R.

    2015-01-01

    The detection of indigenous water in mare basaltic glass beads has challenged the view established since the Apollo era of a "dry" Moon. Since this discovery, measurements of water in lunar apatite, olivine-hosted melt inclusions, agglutinates, and nominally anhydrous minerals have confirmed that lunar igneous materials contain water, implying that some parts of lunar mantle may have as much water as Earth's upper mantle. The interpretation of hydrogen (H) isotopes in lunar samples, however, is controversial. The large variation of H isotope ratios in lunar apatite (delta Deuterium = -202 to +1010 per mille) has been taken as evidence that water in the lunar interior comes from the lunar mantle, solar wind protons, and/or comets. The very low deuterium/H ratios in lunar agglutinates indicate that solar wind protons have contributed to their hydrogen content. Conversely, H isotopes in lunar volcanic glass beads and olivine-hosted melt inclusions being similar to those of common terrestrial igneous rocks, suggest a common origin for water in both Earth and Moon. Lunar water could be inherited from carbonaceous chondrites, consistent with the model of late accretion of chondrite-type materials to the Moon as proposed by. One complication about the sources of lunar water, is that geologic processes (e.g., late accretion and magmatic degassing) may have modified the H isotope signatures of lunar materials. Recent FTIR analyses have shown that plagioclases in lunar ferroan anorthosite contain approximately 6 ppm H2O. So far, ferroan anorthosite is the only available lithology that is believed to be a primary product of the lunar magma ocean (LMO). A possible consequence is that the LMO could have contained up to approximately 320 ppm H2O. Here we examine the possible sources of water in the LMO through measurements of water abundances and H isotopes in plagioclase of two ferroan anorthosites and one troctolite from lunar highlands.

  10. Large-Scale Geographic Variation in Distribution and Abundance of Australian Deep-Water Kelp Forests

    PubMed Central

    Marzinelli, Ezequiel M.; Williams, Stefan B.; Babcock, Russell C.; Barrett, Neville S.; Johnson, Craig R.; Jordan, Alan; Kendrick, Gary A.; Pizarro, Oscar R.; Smale, Dan A.; Steinberg, Peter D.

    2015-01-01

    Despite the significance of marine habitat-forming organisms, little is known about their large-scale distribution and abundance in deeper waters, where they are difficult to access. Such information is necessary to develop sound conservation and management strategies. Kelps are main habitat-formers in temperate reefs worldwide; however, these habitats are highly sensitive to environmental change. The kelp Ecklonia radiate is the major habitat-forming organism on subtidal reefs in temperate Australia. Here, we provide large-scale ecological data encompassing the latitudinal distribution along the continent of these kelp forests, which is a necessary first step towards quantitative inferences about the effects of climatic change and other stressors on these valuable habitats. We used the Autonomous Underwater Vehicle (AUV) facility of Australia’s Integrated Marine Observing System (IMOS) to survey 157,000 m2 of seabed, of which ca 13,000 m2 were used to quantify kelp covers at multiple spatial scales (10–100 m to 100–1,000 km) and depths (15–60 m) across several regions ca 2–6° latitude apart along the East and West coast of Australia. We investigated the large-scale geographic variation in distribution and abundance of deep-water kelp (>15 m depth) and their relationships with physical variables. Kelp cover generally increased with latitude despite great variability at smaller spatial scales. Maximum depth of kelp occurrence was 40–50 m. Kelp latitudinal distribution along the continent was most strongly related to water temperature and substratum availability. This extensive survey data, coupled with ongoing AUV missions, will allow for the detection of long-term shifts in the distribution and abundance of habitat-forming kelp and the organisms they support on a continental scale, and provide information necessary for successful implementation and management of conservation reserves. PMID:25693066

  11. Moist convection and the vertical structure and water abundance of Jupiter's atmosphere

    NASA Technical Reports Server (NTRS)

    Del Genio, Anthony D.; Mcgrattan, Kevin B.

    1990-01-01

    The cumulative effects of an ensemble of moist convective plumes on a conditionally unstable atmosphere are predicted by a model of moist convection on Jupiter in which the heating/cooling and drying/moistening of the environment occur through (1) compensating subsidence, (2) detrainment of updraft air at cloud tops, and (3) the evaporation and melting of falling condensate. Parahydrogen is transported as a passive tracer. Pure moist convective, mixed moist-dry convective, and primarily dry convective regimes are possible, depending on the assumed deep-water abundance, efficiency of condensate evaporation, and initial temperature profile.

  12. Water Mites (Acari: Hydrachnida) of Ozark Streams - Abundance, Species Richness, and Potential as Environmental Indicators

    NASA Astrophysics Data System (ADS)

    Radwell, A. J.; Brown, A. V.

    2005-05-01

    Because water mites are tightly linked to other stream metazoans through parasitism and predation, they are potentially effective indicators of environmental quality. Meiofauna (80 μm to 1 mm) were sampled from headwater riffles of 11 Ozark streams to determine relative abundance and densities of major meiofauna taxa. Water mites comprised 15.3% of the organisms collected exceeded only by chironomids (50.2%) and oligochaetes (17.8%), and mean water mite density among the 11 streams was 265 organisms per liter. The two streams that differed the most in environmental quality were sampled using techniques suitable for identification of species. An estimated 32 species from 20 genera and 13 families were found in the least disturbed stream; an estimated 19 species from 13 genera and 8 families were found in the most disturbed stream. This preliminary finding supports the notion that water mite species richness declines in response to environmental disturbance. Many species could only be identified as morphospecies of particular genera, but the ongoing taxonomic revision of Hydrachnida is expected to provide needed information. A collaborative effort between those interested in taxonomy/systematics of water mites and ecologists interested in the significance of water mites in aquatic communities could prove mutually beneficial.

  13. Predation by odonates depresses mosquito abundance in water-filled tree holes in Panama.

    PubMed

    Fincke, Ola M; Yanoviak, Stephen P; Hanschu, Richard D

    1997-10-01

    In the lowland moist forest of Barro Colorado Island (BCI), Panama, larvae of four common species of odonates, a mosquito, and a tadpole are the major predators in water-filled tree holes. Mosquito larvae are their most common prey. Holes colonized naturally by predators and prey had lower densities of mosquitoes if odonates were present than if they were absent. Using artificial tree holes placed in the field, we tested the effects of odonates on their mosquito prey while controlling for the quantity and species of predator, hole volume, and nutrient input. In large and small holes with low nutrient input, odonates depressed the number of mosquitoes present and the number that survived to pupation. Increasing nutrient input (and consequently, mosquito abundance) to abnormally high levels dampened the effect of predation when odonates were relatively small. However, the predators grew faster with higher nutrients, and large larvae in all three genera reduced the number of mosquitoes surviving to pupation, even though the abundance of mosquito larvae remained high. Size-selective predation by the odonates is a likely explanation for this result; large mosquito larvae were less abundant in the predator treatment than in the controls. Because species assemblages were similar between natural and artificial tree holes, our results suggest that odonates are keystone species in tree holes on BCI, where they are the most common large predators.

  14. The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

    SciTech Connect

    Limmer, David T.; Chandler, David

    2013-06-07

    This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys.135, 134503 (2011) and preprint http://arxiv.org/abs/arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light.

  15. Charge-on-spring polarizable water models revisited: From water clusters to liquid water to ice

    NASA Astrophysics Data System (ADS)

    Yu, Haibo; van Gunsteren, Wilfred F.

    2004-11-01

    The properties of two improved versions of charge-on-spring (COS) polarizable water models (COS/G2 and COS/G3) that explicitly include nonadditive polarization effects are reported. In COS models, the polarization is represented via a self-consistently induced dipole moment consisting of a pair of separated charges. A previous polarizable water model (COS/B2), upon which the improved versions are based, was developed by Yu, Hansson, and van Gunsteren [J. Chem. Phys. 118, 221 (2003)]. To improve the COS/B2 model, which overestimated the dielectric permittivity, one additional virtual atomic site was used to reproduce the water monomer quadrupole moments besides the water monomer dipole moment in the gas phase. The molecular polarizability, residing on the virtual atomic site, and Lennard-Jones parameters for oxygen-oxygen interactions were varied to reproduce the experimental values for the heat of vaporization and the density of liquid water at room temperature and pressure. The improved models were used to study the properties of liquid water at various thermodynamic states as well as gaseous water clusters and ice. Overall, good agreement is obtained between simulated properties and those derived from experiments and ab initio calculations. The COS/G2 and COS/G3 models may serve as simple, classical, rigid, polarizable water models for the study of organic solutes and biopolymers. Due to its simplicity, COS type of polarization can straightforwardly be used to introduce explicit polarization into (bio)molecular force fields.

  16. Behavior of supercooled aqueous solutions stemming from hidden liquid-liquid transition in water

    NASA Astrophysics Data System (ADS)

    Biddle, John W.; Holten, Vincent; Anisimov, Mikhail A.

    2014-08-01

    A popular hypothesis that explains the anomalies of supercooled water is the existence of a metastable liquid-liquid transition hidden below the line of homogeneous nucleation. If this transition exists and if it is terminated by a critical point, the addition of a solute should generate a line of liquid-liquid critical points emanating from the critical point of pure metastable water. We have analyzed thermodynamic consequences of this scenario. In particular, we consider the behavior of two systems, H2O-NaCl and H2O-glycerol. We find the behavior of the heat capacity in supercooled aqueous solutions of NaCl, as reported by Archer and Carter [J. Phys. Chem. B 104, 8563 (2000)], to be consistent with the presence of the metastable liquid-liquid transition. We elucidate the non-conserved nature of the order parameter (extent of "reaction" between two alternative structures of water) and the consequences of its coupling with conserved properties (density and concentration). We also show how the shape of the critical line in a solution controls the difference in concentration of the coexisting liquid phases.

  17. Behavior of supercooled aqueous solutions stemming from hidden liquid-liquid transition in water.

    PubMed

    Biddle, John W; Holten, Vincent; Anisimov, Mikhail A

    2014-08-21

    A popular hypothesis that explains the anomalies of supercooled water is the existence of a metastable liquid-liquid transition hidden below the line of homogeneous nucleation. If this transition exists and if it is terminated by a critical point, the addition of a solute should generate a line of liquid-liquid critical points emanating from the critical point of pure metastable water. We have analyzed thermodynamic consequences of this scenario. In particular, we consider the behavior of two systems, H2O-NaCl and H2O-glycerol. We find the behavior of the heat capacity in supercooled aqueous solutions of NaCl, as reported by Archer and Carter [J. Phys. Chem. B 104, 8563 (2000)], to be consistent with the presence of the metastable liquid-liquid transition. We elucidate the non-conserved nature of the order parameter (extent of "reaction" between two alternative structures of water) and the consequences of its coupling with conserved properties (density and concentration). We also show how the shape of the critical line in a solution controls the difference in concentration of the coexisting liquid phases.

  18. A New Model for Water Vapor/Ice Abundance in a Protoplanetary Nebula

    NASA Technical Reports Server (NTRS)

    Davis, Sanford S.

    2006-01-01

    Water is a unique substance in the protoplanetary nebula since both solid and gaseous phases coexist in large quantities. Quantitative estimates of their relative abundances are important parameters regarding the physical state of the nebula and planet formation processes. This new model is based on computing the chemical evolution of water molecules until its partial pressure is sufficient to pierce the vapor pressure curve for water. The point at which this occurs relative to its steady state values determines final gas/ice ratios. The wide range of temperatures and densities in typical protoplanetary disks result in a range of gadice ratios. It is found that although ice dominates the mid and far nebula, water vapor is predominant in the centerplane region of the near nebula and above the disk photosphere. An interesting near nebula effect is the appearance of a cloud of water ice at the temperature inversion elevation surrounded by vapor above and below. This work is partially supported by the NASA Astrobiology Institute.

  19. Dependence of marine stratocumulus reflectivities on liquid water paths

    NASA Technical Reports Server (NTRS)

    Coakley, James A., Jr.; Snider, Jack B.

    1990-01-01

    Simple parameterizations that relate cloud liquid water content to cloud reflectivity are often used in general circulation climate models to calculate the effect of clouds in the earth's energy budget. Such parameterizations have been developed by Stephens (1978) and by Slingo and Schrecker (1982) and others. Here researchers seek to verify the parametric relationship through the use of simultaneous observations of cloud liquid water content and cloud reflectivity. The column amount of cloud liquid was measured using a microwave radiometer on San Nicolas Island following techniques described by Hogg et al., (1983). Cloud reflectivity was obtained through spatial coherence analysis of Advanced Very High Resolution Radiometer (AVHRR) imagery data (Coakley and Beckner, 1988). They present the dependence of the observed reflectivity on the observed liquid water path. They also compare this empirical relationship with that proposed by Stephens (1978). Researchers found that by taking clouds to be isotropic reflectors, the observed reflectivities and observed column amounts of cloud liquid water are related in a manner that is consistent with simple parameterizations often used in general circulation climate models to determine the effect of clouds on the earth's radiation budget. Attempts to use the results of radiative transfer calculations to correct for the anisotropy of the AVHRR derived reflectivities resulted in a greater scatter of the points about the relationship expected between liquid water path and reflectivity. The anisotropy of the observed reflectivities proved to be small, much smaller than indicated by theory. To critically assess parameterizations, more simultaneous observations of cloud liquid water and cloud reflectivities and better calibration of the AVHRR sensors are needed.

  20. Experimental Evidence for a Liquid-Liquid Crossover in Deeply Cooled Confined Water

    NASA Astrophysics Data System (ADS)

    Cupane, Antonio; Fomina, Margarita; Piazza, Irina; Peters, Judith; Schirò, Giorgio

    2014-11-01

    In this work we investigate, by means of elastic neutron scattering, the pressure dependence of mean square displacements (MSD) of hydrogen atoms of deeply cooled water confined in the pores of a three-dimensional disordered SiO2 xerogel; experiments have been performed at 250 and 210 K from atmospheric pressure to 1200 bar. The "pressure anomaly" of supercooled water (i.e., a mean square displacement increase with increasing pressure) is observed in our sample at both temperatures; however, contrary to previous simulation results and to the experimental trend observed in bulk water, the pressure effect is smaller at lower (210 K) than at higher (250 K) temperature. Elastic neutron scattering results are complemented by differential scanning calorimetry data that put in evidence, besides the glass transition at about 170 K, a first-order-like endothermic transition occurring at about 230 K that, in view of the neutron scattering results, can be attributed to a liquid-liquid crossover. Our results give experimental evidence for the presence, in deeply cooled confined water, of a crossover occurring at about 230 K (at ambient pressure) from a liquid phase predominant at 210 K to another liquid phase predominant at 250 K; therefore, they are fully consistent with the liquid-liquid transition hypothesis.

  1. A Mechanism for Recent Production of Liquid Water on Mars

    NASA Technical Reports Server (NTRS)

    Hecht, M. H.; Bridges, N. T.

    2003-01-01

    Though Mars is a cold, dry planet, with respect to the thermal stability of liquid water at low altitudes it is not terribly different from comparably cold places on Earth. In dry air such water would evaporate faster on Mars, at a rate comparable to a 60 C hot spring on Earth, but the heat loss associated with that evaporation would be mitigated by the poor thermal convection in the thin Martian air. Even at higher altitudes where the atmospheric pressure does not reach the triple point of water, liquid water might theoretically exist in a low-vapor pressure form such as wet soil, in a briny solution, or simply under a layer of dust or snow. The theoretical stability of liquid water does not suggest its occurrence, either on Mars or in Antarctica. In fact, global models have suggested that locations capable of providing sufficient heat for melting are, precisely for that reason, too dry for water to be present. However, the temperature of irregular local structures such as trenches or craters can be markedly warmer than those of the uniform surfaces of global models. The work described here suggests a plausible scenario in which seasonal liquid water might be produced locally, in sheltered locations, through a process of condensation, cold-trapping, buffering, and melting. While the amounts produced in the present climate would be small, copious amounts of meltwater may have been produced at other phases of the orbital cycle, as recently as 20,000 years ago.

  2. The puzzling unsolved mysteries of liquid water: Some recent progress

    NASA Astrophysics Data System (ADS)

    Stanley, H. E.; Kumar, P.; Xu, L.; Yan, Z.; Mazza, M. G.; Buldyrev, S. V.; Chen, S.-H.; Mallamace, F.

    2007-12-01

    Water is perhaps the most ubiquitous, and the most essential, of any molecule on earth. Indeed, it defies the imagination of even the most creative science fiction writer to picture what life would be like without water. Despite decades of research, however, water's puzzling properties are not understood and 63 anomalies that distinguish water from other liquids remain unsolved. We introduce some of these unsolved mysteries, and demonstrate recent progress in solving them. We present evidence from experiments and computer simulations supporting the hypothesis that water displays a special transition point (which is not unlike the “tipping point” immortalized by Malcolm Gladwell). The general idea is that when the liquid is near this “tipping point,” it suddenly separates into two distinct liquid phases. This concept of a new critical point is finding application to other liquids as well as water, such as silicon and silica. We also discuss related puzzles, such as the mysterious behavior of water near a protein.

  3. Abundance of broad bacterial taxa in the sargasso sea explained by environmental conditions but not water mass.

    PubMed

    Sjöstedt, Johanna; Martiny, Jennifer B H; Munk, Peter; Riemann, Lasse

    2014-05-01

    To explore the potential linkage between distribution of marine bacterioplankton groups, environmental conditions, and water mass, we investigated the factors determining the abundance of bacterial taxa across the hydrographically complex Subtropical Convergence Zone in the Sargasso Sea. Based on information from 16S rRNA gene clone libraries from various locations and two depths, abundances of the predominant taxa (eubacteria, Archaea, Alphaproteobacteria, Gammaproteobacteria, Bacteroidetes, and the Roseobacter, SAR11, and SAR86 clades) were quantified by real-time PCR. In addition, the abundances of Synechococcus, Prochlorococcus, and picoalgae were determined by flow cytometry. Linear multiple-regression models determining the relative effects of eight environmental variables and of water mass explained 35 to 86% of the variation in abundance of the quantified taxa, even though only one to three variables were significantly related to any particular taxon's abundance. Most of the variation in abundance was explained by depth and chlorophyll a. The predominant phototrophs, Prochlorococcus and picoalgae, were negatively correlated with phosphate, whereas eubacteria, heterotrophic bacteria, and SAR86 were negatively correlated with nitrite. Water mass showed limited importance for explaining the abundance of the taxonomical groups (significant only for Roseobacter, explaining 14% of the variation). The results suggest the potential for predicting the abundance of broad bacterioplankton groups throughout the Sargasso Sea using only a few environmental parameters.

  4. A new water-based liquid scintillator and potential applications

    NASA Astrophysics Data System (ADS)

    Yeh, M.; Hans, S.; Beriguete, W.; Rosero, R.; Hu, L.; Hahn, R. L.; Diwan, M. V.; Jaffe, D. E.; Kettell, S. H.; Littenberg, L.

    2011-12-01

    In this paper we describe a new type of scintillating liquid based on water. We describe the concept, preparation, and properties of this liquid, and how it could be used for a very large, but economical detector. The applications of such a detector range from fundamental physics such as nucleon decay and neutrino physics to physics with broader application such as neutron detection. We briefly describe the scientific requirements of these applications, and how they can be satisfied by the new material.

  5. Estimating occupancy and abundance of stream amphibians using environmental DNA from filtered water samples

    USGS Publications Warehouse

    Pilliod, David S.; Goldberg, Caren S.; Arkle, Robert S.; Waits, Lisette P.

    2013-01-01

    Environmental DNA (eDNA) methods for detecting aquatic species are advancing rapidly, but with little evaluation of field protocols or precision of resulting estimates. We compared sampling results from traditional field methods with eDNA methods for two amphibians in 13 streams in central Idaho, USA. We also evaluated three water collection protocols and the influence of sampling location, time of day, and distance from animals on eDNA concentration in the water. We found no difference in detection or amount of eDNA among water collection protocols. eDNA methods had slightly higher detection rates than traditional field methods, particularly when species occurred at low densities. eDNA concentration was positively related to field-measured density, biomass, and proportion of transects occupied. Precision of eDNA-based abundance estimates increased with the amount of eDNA in the water and the number of replicate subsamples collected. eDNA concentration did not vary significantly with sample location in the stream, time of day, or distance downstream from animals. Our results further advance the implementation of eDNA methods for monitoring aquatic vertebrates in stream habitats.

  6. Spectroscopic Variation of Water Ice Abundance Across Mimas and Tethys' Surface

    NASA Astrophysics Data System (ADS)

    Scipioni, Francesca; Schenk, Paul

    2014-11-01

    We present results from our ongoing work mapping the variation of the main water ice absorption bands across Mimas and Tethys’ surfaces using Cassini-VIMS cubes acquired in the IR range (0.8-5.1 μm). Mimas and Tethys are Enceladus’ orbital neighbours, lying inside and outside Enceladus’ orbit respectively. It is therefore likely that Mimas and Tethys surfaces interact with icy particles from the E-ring, resulting in a spectral, color modification. For all pixels in the selected VIMS cubes, we measured the band depths for water-ice absorptions at 1.25, 1.5 and 2.02 μm and the height of the 3.6 μm reflection peak, whose value relates to grain size. To characterize the global variation of water-ice band depths across Mimas and Tethys, we divided the surface into a 1°x1° grid and then averaged the band depths and peak values inside each square cell. The most prominent feature on Mimas surface is the crater Herschel with a diameter of 130 km, one-third of the satellite's one. Mimas has the most uniform surface among Saturn's principal satellites, with its trailing side just 10% brighter and redder than the leading one. The uniformity of Mimas extends on spectral appearance too. The 1.52 and 2.02 μm H2O-ice absorption bands are ˜10% deeper on trailing hemisphere.On Tethys' leading hemisphere a 400 km in diameter crater, Odysseus, is present. Its dimension represents ˜40% of Tethys diameter.For both moons we find that large geologic features, such as the Odysseus and Herschel impact basin, do not correlate with water ice’s abundance variation.For Tethys, we found a quite uniform surface on both hemispheres. The only deviation from this pattern shows up on the trailing hemisphere, where we notice two north-oriented, dark areas around 225° and 315°. For Mimas the selected dataset covers just the leading hemisphere and a portion of the trailing side. From the analysis, the two hemispheres appear to be quite similar in water ice abundance, the trailing

  7. Reconciling LCROSS and Orbital Neutron Water Abundance Estimates in Cabeus Crater

    NASA Technical Reports Server (NTRS)

    Elphic, Richard; Teodoro, Luis F.; Eke, Vincent R.; Paige, David A.; Siegler, Matthew A.; Colaprete, Anthony

    2011-01-01

    The Lunar Prospector Neutron Spectrometer (LPNS) first revealed Cabeus crater (84.9 deg S, 35.5degW) as having the highest inferred hydrogen on the Moon. Because of the broad LPNS footprint (approximately 40 km FWHM), the apparent peak water-equivalent hydrogen (WEH) concentration is only approximately 0.25 wt%, but could be much higher in smaller areas than the spectrometer footprint. Earlier image reconstruction work suggested that areas within permanent shadow have abundances approximately 1 wt% WEH. However, the LCROSS impact yielded total water estimates, ice plus vapor, of between 3 and 10 wt%. The large disagreement between LCROSS and apparent orbital values imply that either the ice is buried, by perhaps as much as 50 to 100 cm; or the ice distribution within Cabeus is spatially inhomogeneous, or both. Modeling reveals that the areal extent of a "shallow permafrost zone" is far greater than the area of permanent shadow. Ice can be virtually stable for billions of years within a few tens of centimeters of the surface in these areas. However, the LCROSS impact took place in an area of permanent shadow. If stably-trapped volatiles can be found in locales that receive occasional, oblique sunlight, landed missions may target these sites and eventual resource exploitation may be done more easily. Are orbital neutron data consistent with areally-extensive, volatile-rich cold traps? Orbital epithermal neutron data over the northern half of Cabeus (near the LCROSS impact site) are consistent with 0.2 wt% WEH or less in the "permafrost zone" near the crater. On the other hand, pixon reconstructions that confine the hydrogen enhancements to permanent shadow result in higher abundance estimates -- around 1 wt% if homogeneously mixed. But if the PSR abundance is increased to 10 wt%, consistent with the sum of all H-bearing compounds seen by LCROSS, a much larger-than-observed reduction in neutron count rate would be seen from orbit. It is likely that volatiles are

  8. Solid−liquid critical behavior of water in nanopores

    PubMed Central

    Mochizuki, Kenji; Koga, Kenichiro

    2015-01-01

    Nanoconfined liquid water can transform into low-dimensional ices whose crystalline structures are dissimilar to any bulk ices and whose melting point may significantly rise with reducing the pore size, as revealed by computer simulation and confirmed by experiment. One of the intriguing, and as yet unresolved, questions concerns the observation that the liquid water may transform into a low-dimensional ice either via a first-order phase change or without any discontinuity in thermodynamic and dynamic properties, which suggests the existence of solid−liquid critical points in this class of nanoconfined systems. Here we explore the phase behavior of a model of water in carbon nanotubes in the temperature−pressure−diameter space by molecular dynamics simulation and provide unambiguous evidence to support solid−liquid critical phenomena of nanoconfined water. Solid−liquid first-order phase boundaries are determined by tracing spontaneous phase separation at various temperatures. All of the boundaries eventually cease to exist at the critical points and there appear loci of response function maxima, or the Widom lines, extending to the supercritical region. The finite-size scaling analysis of the density distribution supports the presence of both first-order and continuous phase changes between solid and liquid. At around the Widom line, there are microscopic domains of two phases, and continuous solid−liquid phase changes occur in such a way that the domains of one phase grow and those of the other evanesce as the thermodynamic state departs from the Widom line. PMID:26100904

  9. Distribution and abundance of larval fish in the nearshore waters of western Lake Huron

    USGS Publications Warehouse

    O'Gorman, Robert

    1983-01-01

    Ichthyoplankton was collected at 17 nearshore (bottom depth ≥5 m but ≤10 m) sites in western Lake Huron during 1973–75 with a 0.5-m net of 351-micron mesh towed at 99 m/min. Larvae of rainbow smelt (Osmerus mordax) dominated late spring and early summer catches and larvae of alewives (Alosa pseudoharengus) the midsummer catches. Larval yellow perch (Perca flavescens) were caught in early summer but were rarely the dominant species. The time of spawning and hatching, and thus occurrence of larvae, differed between areas but was less variable for alewives than for yellow perch. The appearance of larvae in Saginaw Bay was followed successively by their appearance in southern, central, and northern Lake Huron. Rainbow smelt were most abundant in northern Lake Huron and yellow perch and alewives in inner Saginaw Bay. Densities of either rainbow smelt or alewives occasionally exceeded 1/m3, whereas those of yellow perch never exceeded 0.1/m3. Abundance of alewives was usually highest 1 to 3 m beneath the surface and that of rainbow smelt 2 to at least 6 m beneath the surface. Important nursery areas of rainbow smelt were in bays and off irregular coastlines and those of yellow perch were in bays. All nearshore waters seemed equally important as nursery areas of alewives.

  10. Microbial diversity and abundance in the Xinjiang Luliang long-term water-flooding petroleum reservoir

    PubMed Central

    Gao, Peike; Tian, Huimei; Li, Guoqiang; Sun, Hongwen; Ma, Ting

    2015-01-01

    Microbial populations associated with microbial enhanced oil recovery (MEOR) and their abundance in the Xinjiang Luliang water-flooding petroleum reservoir were investigated using 16S rRNA, nitrate reductases, dissimilatory sulfate reductase, and methyl coenzyme-M reductase-encoded genes to provide ecological information for the potential application of MEOR. 16S rRNA gene miseq sequencing revealed that this reservoir harbored large amounts of taxa, including 155 bacterial and 7 archeal genera. Among them, Arcobacter, Halomonas, Marinobacterium, Marinobacter, Sphingomonas, Rhodococcus, Pseudomonas, Dietzia, Ochrobactrum, Hyphomonas, Acinetobacter, and Shewanella were dominant, and have the potential to grow using hydrocarbons as carbon sources. Metabolic gene clone libraries indicated that the nitrate-reducing bacteria (NRB) mainly belonged to Pseudomonas, Azospirillum, Bradyrhizobium, Thauera, Magnetospirillum, Sinorhizobium, Azoarcus, and Rhodobacter; the sulfate-reducing bacteria (SRB) were Desulfarculus, Desulfomonile, Desulfosarcina, Desulfotignum, Desulfacinum, Desulfatibacillum, Desulfatibacillum, Desulfomicrobium, and Desulfovibrio; while the methanogens were archaea and belonged to Methanomethylovorans, Methanosaeta, Methanococcus, Methanolobus, and Methanobacterium. Real-time quantitative PCR analysis indicated that the number of bacterial 16S rRNA reached 106 copies/mL, while the metabolic genes of NRB, SRB, and methanogens reached 104 copies/mL. These results show that the Luliang reservoir has abundant microbial populations associated with oil recovery, suggesting that the reservoir has potential for MEOR. PMID:25641701

  11. Distribution, abundance, and biology of the alewife in U.S. waters of Lake Superior

    USGS Publications Warehouse

    Bronte, Charles R.; Selgeby, James H.; Curtis, Gary L.

    1991-01-01

    Alewives (Alosa pseudoharengus) were first reported in Lake Superior in 1954 and gradually increased in abundance in the late 1950s. In the 1960s and early 1970s, the fish were widespread in the lake but scarce. We determined the more recent abundance and distribution of alewives by cross-contour trawling in the spring in 1978–1988. Alewives were scarce lake-wide; the mean catch rate was only 23 fish per 100 h of trawling and represented a density of 0.003 kg per hectare in the area swept by the trawls. Fish of six age groups were caught in trawls in spring and gill nets in fall in 1983–1987. Total annual mortality was 64%, a high natural rate in the absence of fishing. Alewives in Lake Superior were small at the end of their first growing season but later grew faster than those in the other Great Lakes. Fecundity, estimated to be 64,000 eggs (mean total length = 187 mm) was higher than in other freshwater stocks. Zooplankton was the major food of alewives < 100 mm long and Mysis was the main food of larger fish. Exposure to water temperatures below lethal minimums for overwintering fish and for developing eggs limits the success of this species in Lake Superior.

  12. One-Dimensional Earth-Abundant Nanomaterials for Water-Splitting Electrocatalysts.

    PubMed

    Li, Jun; Zheng, Gengfeng

    2017-03-01

    Hydrogen fuel acquisition based on electrochemical or photoelectrochemical water splitting represents one of the most promising means for the fast increase of global energy need, capable of offering a clean and sustainable energy resource with zero carbon footprints in the environment. The key to the success of this goal is the realization of robust earth-abundant materials and cost-effective reaction processes that can catalyze both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), with high efficiency and stability. In the past decade, one-dimensional (1D) nanomaterials and nanostructures have been substantially investigated for their potential in serving as these electrocatalysts for reducing overpotentials and increasing catalytic activity, due to their high electrochemically active surface area, fast charge transport, efficient mass transport of reactant species, and effective release of gas produced. In this review, we summarize the recent progress in developing new 1D nanomaterials as catalysts for HER, OER, as well as bifunctional electrocatalysts for both half reactions. Different categories of earth-abundant materials including metal-based and metal-free catalysts are introduced, with their representative results presented. The challenges and perspectives in this field are also discussed.

  13. On the Stability of Liquid Water on Present Day Mars

    NASA Technical Reports Server (NTRS)

    Haberle, Robert M.; DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    The mean annual surface pressure and temperature on present day Mars do not allow for the long term stability of liquid water on the surface. However, theoretical arguments have been advanced that suggest liquid water could form in transient events even though it would not be in equilibrium with the environment. Using a Mars General Circulation Model, we calculate where and for how long the surface pressure and surface temperature meet the minimum requirements for this metastability of liquid water. These requirements are that the pressure and temperature must be above the triple point of water, but below its boiling point. We find that there are five regions on Mars where these requirements are periodically satisfied: in the near equatorial regions of Amazonis, Arabia, and Elysium, and in the Hellas and Argyre impact basins. Whether liquid water ever forms in these regions depends on the availability of ice and heat, and on the evaporation rate. The latter is poorly understood for low pressure CO2 environments, but is likely to be so high that melting occurs rarely, if at all. However, in the relatively recent past, surface pressures may have been higher than they are today perhaps by as much as a factor of 2 or 3. Under these circumstances melting would have been easier to achieve. We plan to undertake laboratory experiments to better understand the potential for melting in low pressure environments.

  14. Abundance and Speciation of Water and Sulfate at Gusev Crater and Meridiani Planum

    NASA Technical Reports Server (NTRS)

    Ming, D. W.; Clark, B. C.; Klingelhoefer, G.; Gellert, R.; Rodionov, D.; Schroeder, C.; deSouza, P.; Yen, A.

    2005-01-01

    A major science goal of the Mars Exploration Rover (MER) mission is to search for evidence of water activity, and direct mineralogical evidence for aqueous activity has been reported for Meridiani Planum in the form of the iron sulfate hydroxide mineral jarosite and at Gusev crater in the form of goethite. The Spirit and Opportunity rovers have each collected 110+ Moessbauer (MB) and 75+ Alpha Particle X-Ray Spectrometer (APXS) spectra from Gusev crater and Meridiani Planum [1 - 4]. In this abstract, we use mineralogical and elemental data, primarily from the Moessbauer and APXS instruments, to infer the speciation and estimate the abundance of sulfate and water (as either the H2O molecule or the hydroxyl anion) at Gusev crater and Meridiani Planum. Throughout the abstract, we adopt a format for mineral formulas that shows water explicitly rather than the usual practice of structure-based formulas (e.g., for goethite we write Fe2O3xH2O instead of FeOOH).

  15. Natural abundance deuterium and 18-oxygen effects on the precision of the doubly labeled water method

    NASA Technical Reports Server (NTRS)

    Horvitz, M. A.; Schoeller, D. A.

    2001-01-01

    The doubly labeled water method for measuring total energy expenditure is subject to error from natural variations in the background 2H and 18O in body water. There is disagreement as to whether the variations in background abundances of the two stable isotopes covary and what relative doses of 2H and 18O minimize the impact of variation on the precision of the method. We have performed two studies to investigate the amount and covariance of the background variations. These were a study of urine collected weekly from eight subjects who remained in the Madison, WI locale for 6 wk and frequent urine samples from 14 subjects during round-trip travel to a locale > or = 500 miles from Madison, WI. Background variation in excess of analytical error was detected in six of the eight nontravelers, and covariance was demonstrated in four subjects. Background variation was detected in all 14 travelers, and covariance was demonstrated in 11 subjects. The median slopes of the regression lines of delta2H vs. delta18O were 6 and 7, respectively. Modeling indicated that 2H and 18O doses yielding a 6:1 ratio of final enrichments should minimize this error introduced to the doubly labeled water method.

  16. On the Fluctuations that Order and Frustrate Liquid Water

    NASA Astrophysics Data System (ADS)

    Limmer, David Tyler

    At ambient conditions, water sits close to phase coexistence with its crystal. More so than in many other materials, this fact is manifested in the fluctuations that maintain a large degree of local order in the liquid. These fluctuations and how they result in long-ranged order, or its absence, are emergent features of many interacting molecules. Their study therefore requires using the tools of statistical mechanics for their their systematic understanding. In this dissertation we develop such an understanding. In particular, we focus on collective behavior that emerges in liquid and solid water. At room temperatures, the thermophysical properties of water are quantified and rationalized with simple molecular models. A key feature of these models is the correct characterization of the competition between entropic forces of packing and the energetic preference for tetrahedral order. At cold temperatures, the properties of ice surfaces are studied with statistical field theory. The theory we develop for the long wavelength features of ice interfaces allows us to explain the existence of a premelting layer on the surface of ice and the stability of ice in confinement. In between these extremes, the dynamics of supercooled water are considered. A detailed theory for the early stages of coarsening is developed and used to explain the peculiar observation of a transient second liquid state of water. When coarsening dynamics are arrested, the result is the formation of a glassy states of water. We show that out-of-equilibrium the phase diagram for supercooled water exhibits a rich amount of structure, including a triple point between two glass phases of water and the liquid. At the end, we explore possible technological implications for the interplay between ordering and frustration in studies of water at metal interfaces.

  17. Development of a dispersive liquid-liquid microextraction method using a lighter-than-water ionic liquid for the analysis of polycyclic aromatic hydrocarbons in water.

    PubMed

    Medina, Giselle S; Reta, Mario

    2016-11-01

    A dispersive liquid-liquid microextraction method using a lighter-than-water phosphonium-based ionic liquid for the extraction of 16 polycyclic aromatic hydrocarbons from water samples has been developed. The extracted compounds were analyzed by liquid chromatography coupled to fluorescence/diode array detectors. The effects of several experimental parameters on the extraction efficiency, such as type and volume of ionic liquid and disperser solvent, type and concentration of salt in the aqueous phase and extraction time, were investigated and optimized. Three phosphonium-based ionic liquids were assayed, obtaining larger extraction efficiencies when trihexyl-(tetradecyl)phosphonium bromide was used. The optimized methodology requires a few microliters of a lighter-than-water phosphonium-based ionic liquid, which allows an easy separation of the extraction solvent phase. The obtained limits of detection were between 0.02 and 0.56 μg/L, enrichment factors between 109 and 228, recoveries between 60 and 108%, trueness between 0.4 and 9.9% and reproducibility values between 3 and 12% were obtained. These figures of merit combined with the simplicity, rapidity and low cost of the analytical methodology indicate that this is a viable and convenient alternative to the methods reported in the literature. The developed method was used to analyze polycyclic aromatic hydrocarbons in river water samples.

  18. Early life history of deep-water gorgonian corals may limit their abundance.

    PubMed

    Lacharité, Myriam; Metaxas, Anna

    2013-01-01

    Deep-water gorgonian corals are long-lived organisms found worldwide off continental margins and seamounts, usually occurring at depths of ∼200-1,000 m. Most corals undergo sexual reproduction by releasing a planktonic larval stage that disperses; however, recruitment rates and the environmental and biological factors influencing recruitment in deep-sea species are poorly known. Here, we present results from a 4-year field experiment conducted in the Gulf of Maine (northwest Atlantic) at depths >650 m that document recruitment for 2 species of deep-water gorgonian corals, Primnoa resedaeformis and Paragorgia arborea. The abundance of P. resedaeformis recruits was high, and influenced by the structural complexity of the recipient habitat, but very few recruits of P. arborea were found. We suggest that divergent reproductive modes (P. resedaeformis as a broadcast spawner and P. arborea as a brooder) may explain this pattern. Despite the high recruitment of P. resedaeformis, severe mortality early on in the benthic stage of this species may limit the abundance of adult colonies. Most recruits of this species (∼80%) were at the primary polyp stage, and less than 1% of recruits were at stage of 4 polyps or more. We propose that biological disturbance, possibly by the presence of suspension-feeding brittle stars, and limited food supply in the deep sea may cause this mortality. Our findings reinforce the vulnerability of these corals to anthropogenic disturbances, such as trawling with mobile gear, and the importance of incorporating knowledge on processes during the early life history stages in conservation decisions.

  19. Early Life History of Deep-Water Gorgonian Corals May Limit Their Abundance

    PubMed Central

    Lacharité, Myriam; Metaxas, Anna

    2013-01-01

    Deep-water gorgonian corals are long-lived organisms found worldwide off continental margins and seamounts, usually occurring at depths of ∼200–1,000 m. Most corals undergo sexual reproduction by releasing a planktonic larval stage that disperses; however, recruitment rates and the environmental and biological factors influencing recruitment in deep-sea species are poorly known. Here, we present results from a 4-year field experiment conducted in the Gulf of Maine (northwest Atlantic) at depths >650 m that document recruitment for 2 species of deep-water gorgonian corals, Primnoa resedaeformis and Paragorgia arborea. The abundance of P. resedaeformis recruits was high, and influenced by the structural complexity of the recipient habitat, but very few recruits of P. arborea were found. We suggest that divergent reproductive modes (P. resedaeformis as a broadcast spawner and P. arborea as a brooder) may explain this pattern. Despite the high recruitment of P. resedaeformis, severe mortality early on in the benthic stage of this species may limit the abundance of adult colonies. Most recruits of this species (∼80%) were at the primary polyp stage, and less than 1% of recruits were at stage of 4 polyps or more. We propose that biological disturbance, possibly by the presence of suspension-feeding brittle stars, and limited food supply in the deep sea may cause this mortality. Our findings reinforce the vulnerability of these corals to anthropogenic disturbances, such as trawling with mobile gear, and the importance of incorporating knowledge on processes during the early life history stages in conservation decisions. PMID:23762358

  20. Variations of the abundance and nucleic acid content of heterotrophic bacteria in Beaufort Shelf waters during winter and spring

    NASA Astrophysics Data System (ADS)

    Belzile, Claude; Brugel, Sonia; Nozais, Christian; Gratton, Yves; Demers, Serge

    2008-12-01

    Depth profiles of heterotrophic bacteria abundance were measured weekly over a 6-month period from December to May in Franklin Bay, a 230 m-deep coastal Arctic Ocean site of the southeastern Beaufort Sea. Total bacteria, low nucleic acid (LNA) and high nucleic acid (HNA) bacteria abundances were measured using flow cytometry after SYBR Green I staining. The HNA bacteria abundance in surface waters started to increase 5-6 weeks after phytoplankton growth resumed in spring, increasing from 1 × 10 5 to 3 × 10 5 cells mL - 1 over an 8-week period, with a net growth rate of 0.018 d - 1 . LNA bacteria response was delayed by more than two months relative to the beginning of the phytoplankton biomass accumulation and had a lower net growth rate of 0.013 d - 1 . The marked increase in bacterial abundance occurred before any significant increase in organic matter input from river discharge (as indicated by the unchanged surface water salinity and DOC concentrations), and in the absence of water temperature increase. The abundance of bacteria below the halocline was relatively high until January (up to 5 × 10 5 cells mL - 1 ) but then decreased to values close to 2 × 10 5 cells mL - 1 . The three-fold bacterial abundance increase observed in surface waters in spring was mostly due to HNA bacteria, supporting the idea that these cells are the most active.

  1. Economics of liquid hydrogen from water electrolysis

    NASA Technical Reports Server (NTRS)

    Lin, F. N.; Moore, W. I.; Walker, S. W.

    1985-01-01

    An economical model for preliminary analysis of LH2 cost from water electrolysis is presented. The model is based on data from vendors and open literature, and is suitable for computer analysis of different scenarios for 'directional' purposes. Cost data associated with a production rate of 10,886 kg/day are presented. With minimum modification, the model can also be used to predict LH2 cost from any electrolyzer once the electrolyzer's cost data are available.

  2. Satellite Remote Sensing of the Liquid Water Sensitivity in Water Clouds

    NASA Technical Reports Server (NTRS)

    Han, Qing-Yuan; Rossow, William B.; Welch, Ronald; Zeng, Jane; Jansen, James E. (Technical Monitor)

    2001-01-01

    In estimation of the aerosol indirect effect, cloud liquid water path is considered either constant (Twomey effect) or increasing with enhanced droplet number concentrations (drizzle-suppression effect, or Albrecht effect) if cloud microphysics is the prevailing mechanism during the aerosol-cloud interactions. On the other hand, if cloud thermodynamics and dynamics are considered, the cloud liquid water path may be decreased with increasing droplet number concentration, which is predicted by model calculations and observed in ship-track and urban influence studies. This study is to examine the different responses of cloud liquid water path to changes of cloud droplet number concentration. Satellite data (January, April, July and October 1987) are used to retrieve the cloud liquid water sensitivity, defined as the changes of liquid water path versus changes of column droplet number concentrations. The results of a global survey reveal that 1) in at least one third of the cases the cloud liquid water sensitivity is negative, and the regional and seasonal variations of the negative liquid water sensitivity are consistent with other observations; 2) cloud droplet sizes are always inversely proportional to column droplet number concentrations. Our results suggest that an increase of cloud droplet number concentration leads to reduced cloud droplet size and enhanced evaporation, which weakens the coupling between water clouds and boundary layer in warm zones, decreases water supply from surface and desiccates cloud liquid water. Our results also suggest that the current evaluations of negative aerosol indirect forcing by global climate models (GCM), which are based on Twomey effect or Albrecht effect, may be overestimated.

  3. Liquid-liquid interfaces of semifluorinated alkane diblock copolymers with water, alkanes, and perfluorinated alkanes.

    SciTech Connect

    Perahia, Dvora, Dr.; Pierce, Flint; Tsige, Mesfin; Grest, Gary Stephen, Dr.

    2008-08-01

    The liquid-liquid interface between semifluorinated alkane diblock copolymers of the form F3C(CF2)n-1-(CH2)m-1CH3 and water, protonated alkanes, and perfluorinated alkanes are studied by fully atomistic molecular dynamics simulations. A modified version of the OPLS-AA (Optimized Parameter for Liquid Simulation All-Atom) force field of Jorgensen et al. has been used to study the interfacial behavior of semifluorinated diblocks. Aqueous interfaces are found to be sharp, with correspondingly large values of the interfacial tension. Due to the reduced hydrophobicity of the protonated block compared to the fluorinated block, hydrogen enhancement is observed at the interface. Water dipoles in the interfacial region are found to be oriented nearly parallel to the liquid-liquid interface. A number of protonated alkanes and perfluorinated alkanes are found to be mutually miscible with the semifluorinated diblocks. For these liquids, interdiffusion follows the expected Fickian behavior, and concentration-dependent diffusivities are determined.

  4. Liquid-liquid interfaces of semifluorinated alkane diblock copolymers with water, alkanes, and perfluorinated alkanes.

    PubMed

    Pierce, Flint; Tsige, Mesfin; Perahia, Dvora; Grest, Gary S

    2008-12-18

    The liquid-liquid interface between semifluorinated alkane diblock copolymers of the form F3C(CF2)n-1-(CH2)m-1CH3 and water, protonated alkanes, and perfluorinated alkanes are studied by fully atomistic molecular dynamics simulations. A modified version of the OPLS-AA (Optimized Parameter for Liquid Simulation All-Atom) force field of Jorgensen et al. has been used to study the interfacial behavior of semifluorinated diblocks. Aqueous interfaces are found to be sharp, with correspondingly large values of the interfacial tension. Due to the reduced hydrophobicity of the protonated block compared to the fluorinated block, hydrogen enhancement is observed at the interface. Water dipoles in the interfacial region are found to be oriented nearly parallel to the liquid-liquid interface. A number of protonated alkanes and perfluorinated alkanes are found to be mutually miscible with the semifluorinated diblocks. For these liquids, interdiffusion follows the expected Fickian behavior, and concentration-dependent diffusivities are determined.

  5. Limiting shear stress and monotonic properties of liquid water

    NASA Astrophysics Data System (ADS)

    Gorshkov, A. I.

    2016-12-01

    Publications in scientific journals in which the authors attempt to experimentally prove that water, the most widespread substance on the Earth, is not a completely classical liquid, have become more frequent recently. This means, first, that water behaves as a solid at very low shear stress, i.e., does not flow, and, second, that the temperature dependences of its different properties are non-monotonic, i.e., possess singularities. We are aware of several such publications [1-5].

  6. Visible Light Driven Photoelectrodes Made of Earth Abundant Elements for Water Photoelectrolysis

    NASA Astrophysics Data System (ADS)

    Huang, Qiang

    With the aim of creating a clean and sustainable energy supply, the direct use of solar energy to produce chemical energy has been pursued for many years. Particularly, the photoelectrolysis of water to generate hydrogen by semiconductor photoelectrodes has attracted great attention because of its advantage of using only water and sunlight, both of which are widely distributed, as raw materials. The earth abundant and visible light absorbing materials are promising for this application for the advantages of easy access and high theoretical solar to hydrogen conversion efficiency. In this thesis, the cadmium sulfide based and copper oxide based photoelectrodes were fabricated and characterized to determine their potential for photoelectrolysis. As one of the semiconductors with relatively narrow band gap, CdS (2.4eV) has a conduction band edge more negative than the water reduction potential level and a valence band edge more positive than the water oxidation potential level, enabling n-type CdS and p-type CdS as good candidates for photoanode and photocathode respectively. CdS thin film with thickness around 2mum was deposited onto Mo back contact on glass, which formed ohmic contact with CdS. The as-prepared CdS was intrinsic n-type due to the easy formation of sulfur vacancies and it was converted to p-type by the controlled thermal diffusion of copper atoms which substituted cadmium to produce acceptor state. The optimal Cu doping level for the interest of water photoelectrolysis was found to be at 5.4% concentration. Cu2O with band gap of 2.0eV is another attracting competitor for the photoelectrode among the metal-oxide semiconductors. Both thin film and highly aligned nanowire arrays Cu2O were prepared by thermal oxidation of Cu film and Cu nanowires on Au substrates synthesized by electrodeposition. Cu2O was found to be p-type because of the copper vacancies. The photocurrent of the Cu2O nanowires photocathode was found to be twice that of the Cu2O film, and

  7. Molecular dynamics simulation of liquid water: Hybrid density functionals

    SciTech Connect

    Todorova, T; Seitsonen, A; Hutter, J; Kuo, W; Mundy, C

    2005-09-12

    The structure, dynamical and electronic properties of liquid water utilizing different hybrid density functionals were tested within the plane wave framework of first principles molecular dynamics simulations. The computational approach, which employs modified functionals with short-ranged Hartree-Fock exchange, was first tested in calculations of the structural and bonding properties of the water dimer and cyclic water trimer. Liquid water simulations were performed at the state point of 350 K at the experimental density. Simulations included three different hybrid functionals, a meta functional, four gradient corrected functionals, the local density and Hartree-Fock approximation. It is found that hybrid functionals are superior in reproducing the experimental structure and dynamical properties as measured by the radial distribution function and self diffusion constant when compared to the pure density functionals. The local density and Hartree-Fock approximations show strongly over- and under-structured liquids, respectively. Hydrogen bond analysis shows that the hybrid functionals give slightly smaller averaged numbers of hydrogen bonds and similar hydrogen bond populations as pure density functionals. The average molecular dipole moments in the liquid from the three hybrid functionals are lower than from the corresponding pure density functionals.

  8. Molecular dynamics of the water liquid-vapor interface

    NASA Technical Reports Server (NTRS)

    Wilson, M. A.; Pohorille, A.; Pratt, L. R.; MacElroy, R. D. (Principal Investigator)

    1987-01-01

    The results of molecular dynamics calculations on the equilibrium interface between liquid water and its vapor at 325 K are presented. For the TIP4P model of water intermolecular pair potentials, the average surface dipole density points from the vapor to the liquid. The most common orientations of water molecules have the C2 nu molecular axis roughly parallel to the interface. The distributions are quite broad and therefore compatible with the intermolecular correlations characteristic of bulk liquid water. All near-neighbor pairs in the outermost interfacial layers are hydrogen bonded according to the common definition adopted here. The orientational preferences of water molecules near a free surface differ from those near rigidly planar walls which can be interpreted in terms of patterns found in hexagonal ice 1. The mean electric field in the interfacial region is parallel to the mean polarization which indicates that attention cannot be limited to dipolar charge distributions in macroscopic descriptions of the electrical properties of this interface. The value of the surface tension obtained is 132 +/- 46 dyn/cm, significantly different from the value for experimental water of 68 dyn/cm at 325 K.

  9. High frequency (hourly) variation in vertical distribution and abundance of meroplanktonic larvae in nearshore waters during strong internal tidal forcing

    NASA Astrophysics Data System (ADS)

    Liévana MacTavish, A.; Ladah, L. B.; Lavín, M. F.; Filonov, A.; Tapia, Fabian J.; Leichter, J.

    2016-04-01

    We related the vertical distribution and abundance of nearshore meroplankton at hourly time scales with internal tidal wave events. We proposed that significant changes in plankter abundance would occur across internal tidal fronts, and that surface and bottom strata would respond in opposite fashions. First-mode internal tidal bores propagating in the alongshore direction were detected in water-column currents and baroclinic temperature changes. Surface and bottom currents always flowed in opposite directions, and abrupt flow reversals coincided with large temperature changes during arrival of bores. Crab zoeae and barnacle cyprids were more abundant in the bottom strata, whereas barnacle nauplii showed the opposite pattern. Significant changes in vertical distribution and abundance of target meroplankters occurred across internal tidal fronts, especially for crabs at depth, with surface and bottom organisms responding in opposite fashions. Changes in plankter abundance were significantly correlated with current flows in the strata where they were most abundant. The manner in which plankters were affected (increasing or decreasing abundance) appeared to be modulated by their vertical position within the water column. The significant differences found at the high frequencies of this study, maintained across sampling days, suggest that nearshore meroplankton populations may have greater and more consistent temporal and vertical variability than previously considered.

  10. Remote measurements of ozone, water vapor and liquid water content, and vertical profiles of temperature in the lower troposphere

    NASA Technical Reports Server (NTRS)

    Grant, W. B.; Gary, B. L.; Shumate, M. S.

    1983-01-01

    Several advanced atmospheric remote sensing systems developed at the Jet Propulsion Laboratory were demonstrated under various field conditions to determine how useful they would be for general use by the California Air Resources Board and local air quality districts. One of the instruments reported on is the Laser Absorption Spectrometer (LAS). It has a pair of carbon dioxide lasers with a transmitter and receiver and can be flown in an aircraft to measure the column abundance of such gases as ozone. From an aircraft, it can be used to rapidly survey a large region. The LAS is usually operated from an aircraft, although it can also be used at a fixed location on the ground. Some tests were performed with the LAS to measure ozone over a 2-km horizontal path. Another system reported on is the Microwave Atmospheric Remote Sensing System (MARS). It is tuned to microwave emissions from water vapor, liquid water, and oxygen molecules (for atmospheric temperature). It can measure water vapor and liquid water in the line-of-sight, and can measure the vertical temperature profile.

  11. The role of water mass dynamics in controlling bacterial abundance and production in the middle Adriatic Sea.

    PubMed

    Solić, M; Krstulović, N; Vilibić, I; Kuspilić, G; Sestanović, S; Santić, D; Ordulj, M

    2008-06-01

    Month-to-month fluctuations in the abundance of bacteria and heterotrophic nanoflagellates (HNF) and bacterial production, as well as various chemical (nutrients, oxygen) and physical (salinity, temperature) parameters were analysed at a station located in the open middle Adriatic Sea during one decade (1997-2006). Being influenced by both coastal waters and open Adriatic circulation in the surface layer, and by the deep Adriatic water masses in the deep layers (100 m), this station is quite suitable for detecting the environmental changes occurring in the open Adriatic Sea with respect to the circulation of its water masses and their long-term changes and anomalies. Multivariate methods were used to identify seasonal and inter-annual changes of the investigated parameters, associating observed changes to the changes in Adriatic water masses and circulation regimes. The analyses showed that bacterial abundance and production were controlled by different water mass dynamics during 1997-2001 compared to 2002-2006 period, particularly noticeable in different seasonal patterns of biological parameters. The interplay between North Adriatic Dense Water (NAdDW) and Levantine Intermediate Water (LIW) resulted in a change in the available nutrients (NAdDW is poor in orthophosphates), and as a consequence different bacterial abundance and production. A few periods were examined in detail, such as 2004, when LIW inflow was particularly strong and was accompanied by an increase of bacterial and HNF abundances, as well as of bacterial production.

  12. A database of marine phytoplankton abundance, biomass and species composition in Australian waters

    NASA Astrophysics Data System (ADS)

    Davies, Claire H.; Coughlan, Alex; Hallegraeff, Gustaaf; Ajani, Penelope; Armbrecht, Linda; Atkins, Natalia; Bonham, Prudence; Brett, Steve; Brinkman, Richard; Burford, Michele; Clementson, Lesley; Coad, Peter; Coman, Frank; Davies, Diana; Dela-Cruz, Jocelyn; Devlin, Michelle; Edgar, Steven; Eriksen, Ruth; Furnas, Miles; Hassler, Christel; Hill, David; Holmes, Michael; Ingleton, Tim; Jameson, Ian; Leterme, Sophie C.; Lønborg, Christian; McLaughlin, James; McEnnulty, Felicity; McKinnon, A. David; Miller, Margaret; Murray, Shauna; Nayar, Sasi; Patten, Renee; Pritchard, Tim; Proctor, Roger; Purcell-Meyerink, Diane; Raes, Eric; Rissik, David; Ruszczyk, Jason; Slotwinski, Anita; Swadling, Kerrie M.; Tattersall, Katherine; Thompson, Peter; Thomson, Paul; Tonks, Mark; Trull, Thomas W.; Uribe-Palomino, Julian; Waite, Anya M.; Yauwenas, Rouna; Zammit, Anthony; Richardson, Anthony J.

    2016-06-01

    There have been many individual phytoplankton datasets collected across Australia since the mid 1900s, but most are unavailable to the research community. We have searched archives, contacted researchers, and scanned the primary and grey literature to collate 3,621,847 records of marine phytoplankton species from Australian waters from 1844 to the present. Many of these are small datasets collected for local questions, but combined they provide over 170 years of data on phytoplankton communities in Australian waters. Units and taxonomy have been standardised, obviously erroneous data removed, and all metadata included. We have lodged this dataset with the Australian Ocean Data Network (http://portal.aodn.org.au/) allowing public access. The Australian Phytoplankton Database will be invaluable for global change studies, as it allows analysis of ecological indicators of climate change and eutrophication (e.g., changes in distribution; diatom:dinoflagellate ratios). In addition, the standardised conversion of abundance records to biomass provides modellers with quantifiable data to initialise and validate ecosystem models of lower marine trophic levels.

  13. A database of marine phytoplankton abundance, biomass and species composition in Australian waters

    PubMed Central

    Davies, Claire H.; Coughlan, Alex; Hallegraeff, Gustaaf; Ajani, Penelope; Armbrecht, Linda; Atkins, Natalia; Bonham, Prudence; Brett, Steve; Brinkman, Richard; Burford, Michele; Clementson, Lesley; Coad, Peter; Coman, Frank; Davies, Diana; Dela-Cruz, Jocelyn; Devlin, Michelle; Edgar, Steven; Eriksen, Ruth; Furnas, Miles; Hassler, Christel; Hill, David; Holmes, Michael; Ingleton, Tim; Jameson, Ian; Leterme, Sophie C.; Lønborg, Christian; McLaughlin, James; McEnnulty, Felicity; McKinnon, A. David; Miller, Margaret; Murray, Shauna; Nayar, Sasi; Patten, Renee; Pritchard, Tim; Proctor, Roger; Purcell-Meyerink, Diane; Raes, Eric; Rissik, David; Ruszczyk, Jason; Slotwinski, Anita; Swadling, Kerrie M.; Tattersall, Katherine; Thompson, Peter; Thomson, Paul; Tonks, Mark; Trull, Thomas W.; Uribe-Palomino, Julian; Waite, Anya M.; Yauwenas, Rouna; Zammit, Anthony; Richardson, Anthony J.

    2016-01-01

    There have been many individual phytoplankton datasets collected across Australia since the mid 1900s, but most are unavailable to the research community. We have searched archives, contacted researchers, and scanned the primary and grey literature to collate 3,621,847 records of marine phytoplankton species from Australian waters from 1844 to the present. Many of these are small datasets collected for local questions, but combined they provide over 170 years of data on phytoplankton communities in Australian waters. Units and taxonomy have been standardised, obviously erroneous data removed, and all metadata included. We have lodged this dataset with the Australian Ocean Data Network (http://portal.aodn.org.au/) allowing public access. The Australian Phytoplankton Database will be invaluable for global change studies, as it allows analysis of ecological indicators of climate change and eutrophication (e.g., changes in distribution; diatom:dinoflagellate ratios). In addition, the standardised conversion of abundance records to biomass provides modellers with quantifiable data to initialise and validate ecosystem models of lower marine trophic levels. PMID:27328409

  14. Microhabitat and shrimp abundance within a Norwegian cold-water coral ecosystem

    NASA Astrophysics Data System (ADS)

    Purser, A.; Ontrup, J.; Schoening, T.; Thomsen, L.; Tong, R.; Unnithan, V.; Nattkemper, T. W.

    2013-02-01

    Cold-water coral reefs are highly heterogeneous ecosystems comprising of a range of diverse microhabitats. In a typical European cold-water coral reef various biogenic habitats (live colonies of locally common coral species such as Lophelia pertusa, Paragorgia arborea and Primnoa resedaeformis, dead coral structure, coral rubble) may be surrounded and intermixed with non-biogenic habitats (soft sediment, hardground, gravel/pebbles, steep walls). To date, studies of distribution of sessile fauna across these microhabitats have been more numerous than those investigating mobile fauna distribution. In this study we quantified shrimp densities associated with key CWC habitat categories at the Røst reef, Norway, by analysing image data collected by towed video sled. We also investigated shrimp distribution patterns on the local scale (<40 cm) and how these may vary with habitat. We found shrimp abundances at the Røst reef to be on average an order of magnitude greater in biogenic reef habitats than in non-biogenic habitats. Greatest shrimp densities were observed in association with live Paragorgia arborea habitats (43 shrimp m-2, SD = 35.5), live Primnoa resedaeformis habitats (41.6 shrimp m-2, SD = 26.1) and live Lophelia pertusa habitats (24.4 shrimp m-2, SD = 18.6). In non-biogenic habitats shrimp densities were <2 shrimp m-2. We conclude that CWC reef habitats clearly support greater shrimp densities than the surrounding non-biogenic habitats on the Norwegian margin.

  15. Computer simulation of liquid/liquid interfaces. I. Theory and application to octane/water

    NASA Astrophysics Data System (ADS)

    Zhang, Yuhong; Feller, Scott E.; Brooks, Bernard R.; Pastor, Richard W.

    1995-12-01

    Statistical ensembles for simulating liquid interfaces at constant pressure and/or surface tension are examined, and equations of motion for molecular dynamics are obtained by various extensions of the Andersen extended system approach. Valid ensembles include: constant normal pressure and surface area; constant tangential pressure and length normal to the interface; constant volume and surface tension; and constant normal pressure and surface tension. Simulations at 293 K and 1 atm normal pressure show consistent results with each other and with a simulation carried out at constant volume and energy. Calculated surface tensions for octane/water (61.5 dyn/cm), octane/vacuum (20.4 dyn/cm) and water/vacuum (70.2 dyn/cm) are in very good agreement with experiment (51.6, 21.7, and 72.8 dyn/cm, respectively). The practical consequences of simulating with two other approaches commonly used for isotropic systems are demonstrated on octane/water: applying equal normal and tangential pressures leads to an instability; and applying a constant isotropic pressure of 1 atm leads to a large positive normal pressure. Both results are expected for a system of nonzero surface tension. Mass density and water polarization profiles in the liquid/liquid and liquid/vapor interfaces are also compared.

  16. Boson peak, Ioffe-Regel Crossover, and Liquid-Liquid phase transition in Supercooled Water

    NASA Astrophysics Data System (ADS)

    Kumar, Pradeep

    We have investigated the onset of Boson peak in a model of liquid water which exhibits a clear first-order phase transition between a low-density liquid phase and a high-density liquid phase of water at low temperature and high pressure. We find that the at low pressures, the onset of Boson peak coincides with the Widom-line of the system. At high pressures, the onset occurs at the transition temperature between the two liquids. Furthermore, we show that at both low and high pressure, the frequency of the Boson peak coincides with the Ioffe-Regel crossover of the transverse phonons, suggesting that the breakdown of Debye behavior is a general feature of Ioffe-Regel limit crossover in supercooled water. The frequency of the Boson peak is weakly pressure dependent and decreases with increasing pressure. Our work bridges gap between the experimental results on the Boson peak nanoconfined water and the behavior that one would expect from a bulk system.

  17. Switchable water: microfluidic investigation of liquid-liquid phase separation mediated by carbon dioxide.

    PubMed

    Lestari, Gabriella; Abolhasani, Milad; Bennett, Darla; Chase, Preston; Günther, Axel; Kumacheva, Eugenia

    2014-08-27

    Increase in the ionic strength of water that is mediated by the reaction of carbon dioxide (CO2) with nitrogenous bases is a promising approach toward phase separation in mixtures of water with organic solvents and potentially water purification. Conventional macroscale studies of this complicated process are challenging, due to its occurrence via several consecutive and concurrent steps, mass transfer limitation, and lack of control over gas-liquid interfaces. We report a new microfluidic strategy for fundamental studies of liquid-liquid phase separation mediated by CO2 as well as screening of the efficiency of nitrogenous agents. A single set of microfluidic experiments provided qualitative and quantitative information on the kinetics and completeness of water-tetrahydrofuran phase separation, the minimum amount of CO2 required to complete phase separation, the total CO2 uptake, and the rate of CO2 consumption by the liquid mixture. The efficiency of tertiary diamines with different lengths of alkyl chain was examined in a time- and labor-efficient manner and characterized with the proposed efficiency parameter. A wealth of information obtained using the MF methodology can facilitate the development of new additives for switchable solvents in green chemistry applications.

  18. Ionic liquid-based dispersive liquid-liquid microextraction for sensitive determination of aromatic amines in environmental water.

    PubMed

    Han, Dandan; Yan, Hongyuan; Row, Kyung H

    2011-05-01

    Ionic liquid-based dispersive liquid-liquid microextraction was developed for the extraction and preconcentration of aromatic amine from environmental water. A suitable mixture of extraction solvent (100 μL, 1-butyl-3-methylimidazolium hexafluorophoshate) and dispersive solvent (750 μL, methanol) were injected into the aqueous samples (10.00 mL), forming a cloudy solution. After centrifuging, enriched analytes in the sediment phase were determined by HPLC-UV. The effect of various factors, such as the extraction and dispersive solvent, sample pH, extraction time and salt effect were investigated. Under optimum conditions, enrichment factors for 2-anilinoethanol, o-chloroaniline and 4-bromo-N,N-dimethylaniline were above 50 and the limits of detection (LODs) were 0.023, 0.015 and 0.026 ng/mL, respectively. Their linear ranges were 0.8-400 ng/mL for 2-anilinoethanol, 0.5-200 ng/mL for o-chloroaniline and 0.4-200 ng/mL for 4-bromo-N,N-dimethylaniline, respectively. Relative standard deviations (RSDs) were below 5.0%. The relative recoveries from samples of environmental water were in the range of 82.0-94.0%. Compared with other methods, dispersive liquid-liquid microextraction is simple, rapid, sensitive and economical.

  19. Liquid Water, the ``Most Complex'' Liquid: New Results in Bulk, Nanoconfined, and Biological Environments

    NASA Astrophysics Data System (ADS)

    Stanley, H. Eugene

    2010-03-01

    We will introduce some of the 63 anomalies of the most complex of liquids, water. We will demonstrate some recent progress in understanding these anomalies by combining information provided by recent experiments and simulations on water in bulk, nanoconfined, and biological environments. We will interpret evidence from recent experiments designed to test the hypothesis that liquid water may display ``polymorphism'' in that it can exist in two different phases---and discuss recent work on water's transport anomalies [1] as well as the unusual behavior of water in biological environments [2]. Finally, we will discuss how the general concept of liquid polymorphism [3] is proving useful in understanding anomalies in other liquids, such as silicon, silica, and carbon, as well as metallic glasses, which have in common that they are characterized by two characteristic length scales in their interactions. This work was supported by NSF Chemistry Division, and carried out in collaboration with a number of colleagues, chief among whom are C. A. Angell, M. C. Barbosa, M. C. Bellissent, L. Bosio, F. Bruni, S. V. Buldyrev, M. Canpolat, S. -H. Chen, P. G. Debenedetti, U. Essmann,G. Franzese, A. Geiger, N. Giovambattista, S. Han, P. Kumar, E. La Nave,G. Malescio, F. Mallamace, M. G. Mazza, O. Mishima, P. Netz, P. H. Poole, P. J. Rossky, R. Sadr,S. Sastry, A. Scala, F. Sciortino, A. Skibinsky, F. W. Starr, K. C. Stokely J. Teixeira, L. Xu, and Z. Yan.[4pt] [1] L. Xu, F. Mallamace, Z. Yan, F. W. Starr, S. V. Buldyrev, and H. E. Stanley, ``Appearance of a Fractional Stokes-Einstein Relation in Water and a Structural Interpretation of Its Onset,'' Nature Physics 5, 565--569 (2009). [0pt] [2] P. Kumar, Z. Yan, L. Xu, M. G. Mazza, S. V. Buldyrev, S. -H. Chen. S. Sastry, and H. E. Stanley, ``Glass Transition in Biomolecules and the Liquid-Liquid Critical Point of Water,'' Phys. Rev. Lett. 97, 177802 (2006). [0pt] [3] H. E. Stanley, ed. , Liquid Polymorphism [Advances in Chemical Physics

  20. Complete wetting of Pt(111) by nanoscale liquid water films

    SciTech Connect

    Xu, Yuntao; Dibble, Collin J.; Petrik, Nikolay G.; Smith, R. Scott; Kay, Bruce D.; Kimmel, Gregory A.

    2016-02-04

    The melting and wetting of nanoscale crystalline ice films on Pt(111) that are transiently heated above the melting point using nanosecond laser pulses are studied with infrared refection absorption spectroscopy (IRAS) and Kr temperature programmed desorption (TPD). The as-grown crystalline ice films consist of isolated nanoscale ice crystallites embedded in a hydrophobic water monolayer. Upon heating above the melting point, these ice crystallites rapidly melt to form nanoscale droplets of liquid water. Rapid cooling of the system to cryogenic temperatures after each laser pulse quenches the water films and allows them to be interrogated with IRAS, Kr TPD and other ultrahigh vacuum surface science techniques. With each successive heat pulse, these liquid drops spread across the surface until it is entirely covered with multilayer water films after several pulses. These results, which show that nanoscale water films completely wet Pt(111), are in contrast to molecular dynamics simulations predicting partial wetting of nanoscale water drops on a hydrophobic water monolayer. The results provide valuable new insights into the wetting characteristics of nanoscale water films on a clean, well-characterized single crystal surface.

  1. Macroinvertebrate abundance, water chemistry, and wetland characteristics affect use of wetlands by avian species in Maine

    USGS Publications Warehouse

    Longcore, J.R.; McAuley, D.G.; Pendelton, G.W.; Bennatti, C.R.; Mingo, T.M.; Stromborg, K.L.

    2006-01-01

    Our objective was to determine use by avian species (e.g., piscivores, marsh birds, waterfowl, selected passerines) of 29 wetlands in areas with low (<200 μeq l−1) acid-neutralizing capacity (ANC) in southeastern Maine. We documented bird, pair, and brood use during 1982–1984 and in 1982 we sampled 10 wetlands with a sweep net to collect invertebrates. We related mean numbers of invertebrates per wetland to water chemistry, basin characteristics, and avian use of different wetland types. Shallow, beaver (Castor canadensis)-created wetlands with the highest phosphorus levels and abundant and varied macrophyte assemblages supported greater densities of macroinvertebrates and numbers of duck broods (88.3% of all broods) in contrast to deep, glacial type wetlands with sparse vegetation and lower invertebrate densities that supported fewer broods (11.7%). Low pH may have affected some acid-intolerant invertebrate taxa (i.e., Ephemeroptera), but high mean numbers of Insecta per wetland were recorded from wetlands with a pH of 5.51. Other Classes and Orders of invertebrates were more abundant on wetlands with pH > 5.51. All years combined use of wetlands by broods was greater on wetlands with pH ≤ 5.51 (77.4%) in contract to wetlands with pH > 5.51 that supported 21.8% of the broods. High mean brood density was associated with mean number of Insecta per wetland. For lentic wetlands created by beaver, those habitats contained vegetative structure and nutrients necessary to provide cover to support invertebrate populations that are prey of omnivore and insectivore species. The fishless status of a few wetlands may have affected use by some waterfowl species and obligate piscivores.

  2. Three-dimensional picture of dynamical structure in liquid water

    NASA Astrophysics Data System (ADS)

    Svishchev, Igor M.; Zassetsky, Alexander Yu.

    2000-01-01

    This paper presents a methodology with which to study the local density distributions in molecular liquids and their fluctuations in any spatial direction. The distinct part of the van Hove density-density correlation function for liquid water is calculated in molecular dynamics simulations. Because of the pronounced nonspherical intermolecular interactions this pair-density function is direction dependent in the local molecular frame. We explicitly resolve the distinct van Hove function in the local frame of water molecules. The dynamics of the tetrahedrally coordinated (hydrogen bonded) and the interstitial molecules in liquid water are examined. The spectrum of the pair-density fluctuations for the tetrahedrally coordinated molecules in supercooled and ambient water exhibits a well-known translational mode at 200 cm-1 and a collective relaxation mode at lower frequencies, at approximately 10 cm-1 at 263 K. The correlation time of this relaxation process decreases with temperature, from 2.2 ps at 238 K to 1.4 ps at 298 K. The spectrum for the interstitial coordination also features a 10 cm-1 mode. It represents a secondary relaxation process in water different from a much slower Debye process. As temperature increases this relaxation mode tends to disappear from the pair-density fluctuations.

  3. Diversity of rare and abundant bacteria in surface waters of the Southern Adriatic Sea.

    PubMed

    Quero, Grazia Marina; Luna, Gian Marco

    2014-10-01

    Bacteria are fundamental players in the functioning of the ocean, yet relatively little is known about the diversity of bacterioplankton assemblages and the factors shaping their spatial distribution. We investigated the diversity and community composition of bacterioplankton in surface waters of the Southern Adriatic sub-basin (SAd) in the Mediterranean Sea, across an environmental gradient from coastal to offshore stations. Bacterioplankton diversity was investigated using a whole-assemblage genetic fingerprinting technique (Automated Ribosomal Intergenic Spacer Analysis, ARISA) coupled with 16S rDNA amplicon pyrosequencing. The main physico-chemical variables showed clear differences between coastal and offshore stations, with the latter displaying generally higher temperature, salinity and oxygen content. Bacterioplankton richness was higher in coastal than offshore waters. Bacterial community composition (BCC) differed significantly between coastal and offshore waters, and appeared to be influenced by temperature (explaining up to 30% of variance) and by the trophic state. Pyrosequencing evidenced dominance of Alphaproteobacteria (SAR11 cluster), uncultured Gammaproteobacteria (Rhodobacteraceae) and Cyanobacteria (Synechococcus). Members of the Bacteroidetes phylum were also abundant, and accounted for 25% in the station characterized by the higher organic carbon availability. Bacterioplankton assemblages included a few dominant taxa and a very large proportion (85%) of rare (<0.1%) bacteria, the vast majority of which was unique to each sampling station. The first detailed census of bacterioplankton taxa in the SAd sub-basin, performed using next generation sequencing, indicates that assemblages are highly heterogeneous, spatially structured according to the environmental conditions, and comprise a large number of rare taxa. The high turnover diversity, particularly evident at the level of the rare taxa, suggests to direct future investigations toward larger

  4. Measurement of radiation damage of water-based liquid scintillator and liquid scintillator

    DOE PAGES

    Bignell, L. J.; Diwan, M. V.; Hans, S.; ...

    2015-10-19

    Liquid scintillating phantoms have been proposed as a means to perform real-time 3D dosimetry for proton therapy treatment plan verification. We have studied what effect radiation damage to the scintillator will have upon this application. We have performed measurements of the degradation of the light yield and optical attenuation length of liquid scintillator and water-based liquid scintillator after irradiation by 201 MeV proton beams that deposited doses of approximately 52 Gy, 300 Gy, and 800 Gy in the scintillator. Liquid scintillator and water-based liquid scintillator (composed of 5% scintillating phase) exhibit light yield reductions of 1.74 ± 0.55 % andmore » 1.31 ± 0.59 % after ≈ 800 Gy of proton dose, respectively. Some increased optical attenuation was observed in the irradiated samples, the measured reduction to the light yield is also due to damage to the scintillation light production. Based on our results and conservative estimates of the expected dose in a clinical context, a scintillating phantom used for proton therapy treatment plan verification would exhibit a systematic light yield reduction of approximately 0.1% after a year of operation.« less

  5. Measurement of radiation damage of water-based liquid scintillator and liquid scintillator

    SciTech Connect

    Bignell, L. J.; Diwan, M. V.; Hans, S.; Jaffe, D. E.; Rosero, R.; Vigdor, S.; Viren, B.; Worcester, E.; Yeh, M.; Zhang, C.

    2015-10-19

    Liquid scintillating phantoms have been proposed as a means to perform real-time 3D dosimetry for proton therapy treatment plan verification. We have studied what effect radiation damage to the scintillator will have upon this application. We have performed measurements of the degradation of the light yield and optical attenuation length of liquid scintillator and water-based liquid scintillator after irradiation by 201 MeV proton beams that deposited doses of approximately 52 Gy, 300 Gy, and 800 Gy in the scintillator. Liquid scintillator and water-based liquid scintillator (composed of 5% scintillating phase) exhibit light yield reductions of 1.74 ± 0.55 % and 1.31 ± 0.59 % after ≈ 800 Gy of proton dose, respectively. Some increased optical attenuation was observed in the irradiated samples, the measured reduction to the light yield is also due to damage to the scintillation light production. Based on our results and conservative estimates of the expected dose in a clinical context, a scintillating phantom used for proton therapy treatment plan verification would exhibit a systematic light yield reduction of approximately 0.1% after a year of operation.

  6. Numerical studies on the separation performance of liquid- liquid Hydrocyclone for higher water-cut wells

    NASA Astrophysics Data System (ADS)

    Osei, H.; Al-Kayiem, H. H.; Hashim, F. M.

    2015-12-01

    Liquid-liquid hydrocyclones have nowadays become very useful in the oil industry because of their numerous applications. They can be installed downhole in the case of a well that produces higher water-oil ratios. The design of a liquid-liquid hydrocyclone for such a task is critical and every geometric part of the hydrocyclone has a part to play as far as separation is concerned. This work, through validated numerical technique, investigated the liquid-liquid hydrocyclone performance for the cases of single-inlet and dual-inlets, with different upper cylindrical lengths, specifically, 30mm and 60mm.It was observed that the hydrocyclones with the 30mm upper cylindrical section perform better than the ones with 60 mm upper cylindrical section. It was again noted that, even though higher number of tangential inlets increases the swirl intensity, they have the tendency to break up the oil droplets within the hydrocyclone because of increasing shear and jet flow interaction.

  7. Study of the ST2 model of water close to the liquid-liquid critical point.

    PubMed

    Sciortino, Francesco; Saika-Voivod, Ivan; Poole, Peter H

    2011-11-28

    We perform successive umbrella sampling grand canonical Monte Carlo computer simulations of the original ST2 model of water in the vicinity of the proposed liquid-liquid critical point, at temperatures above and below the critical temperature. Our results support the previous work of Y. Liu, A. Z. Panagiotopoulos and P. G. Debenedetti [J. Chem. Phys., 2009, 131, 104508], who provided evidence for the existence and location of the critical point for ST2 using the Ewald method to evaluate the long-range forces. Our results therefore demonstrate the robustness of the evidence for critical behavior with respect to the treatment of the electrostatic interactions. In addition, we verify that the liquid is equilibrated at all densities on the Monte Carlo time scale of our simulations, and also that there is no indication of crystal formation during our runs. These findings demonstrate that the processes of liquid-state relaxation and crystal nucleation are well separated in time. Therefore, the bimodal shape of the density of states, and hence the critical point itself, is a purely liquid-state phenomenon that is distinct from the crystal-liquid transition.

  8. Probing Hydrophilic Interface of Solid/Liquid-Water by Nanoultrasonics

    PubMed Central

    Mante, Pierre-Adrien; Chen, Chien-Cheng; Wen, Yu-Chieh; Chen, Hui-Yuan; Yang, Szu-Chi; Huang, Yu-Ru; -Ju Chen, I.; Chen, Yun-Wen; Gusev, Vitalyi; Chen, Miin-Jang; Kuo, Jer-Lai; Sheu, Jinn-Kong; Sun, Chi-Kuang

    2014-01-01

    Despite the numerous devoted studies, water at solid interfaces remains puzzling. An ongoing debate concerns the nature of interfacial water at a hydrophilic surface, whether it is more solid-like, ice-like, or liquid-like. To answer this question, a complete picture of the distribution of the water molecule structure and molecular interactions has to be obtained in a non-invasive way and on an ultrafast time scale. We developed a new experimental technique that extends the classical acoustic technique to the molecular level. Using nanoacoustic waves with a femtosecond pulsewidth and an ångström resolution to noninvasively diagnose the hydration structure distribution at ambient solid/water interface, we performed a complete mapping of the viscoelastic properties and of the density in the whole interfacial water region at hydrophilic surfaces. Our results suggest that water in the interfacial region possesses mixed properties and that the different pictures obtained up to now can be unified. Moreover, we discuss the effect of the interfacial water structure on the abnormal thermal transport properties of solid/liquid interfaces. PMID:25176017

  9. Electronic Excitation Dynamics in Liquid Water under Proton Irradiation

    PubMed Central

    Reeves, Kyle G.; Kanai, Yosuke

    2017-01-01

    Molecular behaviour of liquid water under proton irradiation is of great importance to a number of technological and medical applications. The highly energetic proton generates a time-varying field that is highly localized and heterogeneous at the molecular scale, and massive electronic excitations are produced as a result of the field-matter interaction. Using first-principles quantum dynamics simulations, we reveal details of how electrons are dynamically excited through non-equilibrium energy transfer from highly energetic protons in liquid water on the atto/femto-second time scale. Water molecules along the path of the energetic proton undergo ionization at individual molecular level, and the excitation primarily derives from lone pair electrons on the oxygen atom of water molecules. A reduced charge state on the energetic proton in the condensed phase of water results in the strongly suppressed electronic response when compared to water molecules in the gas phase. These molecular-level findings provide important insights into understanding the water radiolysis process under proton irradiation. PMID:28084420

  10. Electronic Excitation Dynamics in Liquid Water under Proton Irradiation

    NASA Astrophysics Data System (ADS)

    Reeves, Kyle G.; Kanai, Yosuke

    2017-01-01

    Molecular behaviour of liquid water under proton irradiation is of great importance to a number of technological and medical applications. The highly energetic proton generates a time-varying field that is highly localized and heterogeneous at the molecular scale, and massive electronic excitations are produced as a result of the field-matter interaction. Using first-principles quantum dynamics simulations, we reveal details of how electrons are dynamically excited through non-equilibrium energy transfer from highly energetic protons in liquid water on the atto/femto-second time scale. Water molecules along the path of the energetic proton undergo ionization at individual molecular level, and the excitation primarily derives from lone pair electrons on the oxygen atom of water molecules. A reduced charge state on the energetic proton in the condensed phase of water results in the strongly suppressed electronic response when compared to water molecules in the gas phase. These molecular-level findings provide important insights into understanding the water radiolysis process under proton irradiation.

  11. A single-site multipole model for liquid water

    NASA Astrophysics Data System (ADS)

    Tran, Kelly N.; Tan, Ming-Liang; Ichiye, Toshiko

    2016-07-01

    Accurate and efficient empirical potential energy models that describe the atomistic interactions between water molecules in the liquid phase are essential for computer simulations of many problems in physics, chemistry, and biology, especially when long length or time scales are important. However, while models with non-polarizable partial charges at four or five sites in a water molecule give remarkably good values for certain properties, deficiencies have been noted in other properties and increasing the number of sites decreases computational efficiency. An alternate approach is to utilize a multipole expansion of the electrostatic potential due to the molecular charge distribution, which is exact outside the charge distribution in the limits of infinite distances or infinite orders of multipoles while partial charges are a qualitative representation of electron density as point charges. Here, a single-site multipole model of water is presented, which is as fast computationally as three-site models but is also more accurate than four- and five-site models. The dipole, quadrupole, and octupole moments are from quantum mechanical-molecular mechanical calculations so that they account for the average polarization in the liquid phase, and represent both the in-plane and out-of-plane electrostatic potentials of a water molecule in the liquid phase. This model gives accurate thermodynamic, dynamic, and dielectric properties at 298 K and 1 atm, as well as good temperature and pressure dependence of these properties.

  12. Water Tank with Capillary Air/Liquid Separation

    NASA Technical Reports Server (NTRS)

    Ungar, Eugene K.; Smith, Frederick; Edeen, Gregg; Almlie, Jay C.

    2010-01-01

    A bladderless water tank (see figure) has been developed that contains capillary devices that allow it to be filled and emptied, as needed, in microgravity. When filled with water, the tank shields human occupants of a spacecraft against cosmic radiation. A membrane that is permeable by air but is hydrophobic (neither wettable nor permeable by liquid water) covers one inside surface of the tank. Grooves between the surface and the membrane allow air to flow through vent holes in the surface as the tank is filled or drained. A margin of wettable surface surrounds the edges of the membrane, and all the other inside tank surfaces are also wettable. A fill/drain port is located in one corner of the tank and is covered with a hydrophilic membrane. As filling begins, water runs from the hydrophilic membrane into the corner fillets of the tank walls. Continued filling in the absence of gravity will result in a single contiguous air bubble that will be vented through the hydrophobic membrane. The bubble will be reduced in size until it becomes spherical and smaller than the tank thickness. Draining the tank reverses the process. Air is introduced through the hydrophobic membrane, and liquid continuity is maintained with the fill/drain port through the corner fillets. Even after the tank is emptied, as long as the suction pressure on the hydrophilic membrane does not exceed its bubble point, no air will be drawn into the liquid line.

  13. Liquid water confined in carbon nanochannels at high temperatures.

    PubMed

    Nagy, G; Gordillo, M C; Guàrdia, E; Martí, J

    2007-11-01

    Structure, hydrogen bonding, electrostatics, dielectric, and dynamical properties of liquid water confined in flat graphene nanochannels are investigated by molecular dynamics simulations. A wide range of temperatures (between 20 and 360 degrees C) have been considered. Molecular structure suffers substantial changes when the system is heated, with a significant loss of structure and hydrogen bonding. In such case, the interface between adsorbed and bulk-like water has a marked tendency to disappear, and the two preferential orientations of water nearby the graphite layers at room temperature are essentially merging above the boiling point. The general trend for the static dielectric constant is its reduction at high temperature states, as compared to ambient conditions. Similarly, residence times of water molecules in adsorbed and bulk-like regions are significantly influenced by temperature, as well. Finally, we observed relevant changes in water diffusion and spectroscopy along the range of temperatures analyzed.

  14. Microhabitat and shrimp abundance within a Norwegian cold-water coral ecosystem

    NASA Astrophysics Data System (ADS)

    Purser, A.; Ontrup, J.; Schoening, T.; Thomsen, L.; Tong, R.; Unnithan, V.; Nattkemper, T. W.

    2013-09-01

    Cold-water coral (CWC) reefs are heterogeneous ecosystems comprising numerous microhabitats. A typical European CWC reef provides various biogenic microhabitats (within, on and surrounding colonies of coral species such as Lophelia pertusa, Paragorgia arborea and Primnoa resedaeformis, or formed by their remains after death). These microhabitats may be surrounded and intermixed with non-biogenic microhabitats (soft sediment, hard ground, gravel/pebbles, steep walls). To date, studies of distribution of sessile fauna across CWC reefs have been more numerous than those investigating mobile fauna distribution. In this study we quantified shrimp densities associated with key CWC microhabitat categories at the Røst Reef, Norway, by analysing image data collected by towed video sled in June 2007. We also investigated shrimp distribution patterns on the local scale (<40 cm) and how these may vary with microhabitat. Shrimp abundances at the Røst Reef were on average an order of magnitude greater in biogenic reef microhabitats than in non-biogenic microhabitats. Greatest shrimp densities were observed in association with live Paragorgia arborea microhabitat (43 shrimp m-2, SD = 35.5), live Primnoa resedaeformis microhabitat (41.6 shrimp m-2, SD = 26.1) and live Lophelia pertusa microhabitat (24.4 shrimp m-2, SD = 18.6). In non-biogenic microhabitat, shrimp densities were <2 shrimp m-2. CWC reef microhabitats appear to support greater shrimp densities than the surrounding non-biogenic microhabitats at the Røst Reef, at least at the time of survey.

  15. On the implications of aerosol liquid water and phase ...

    EPA Pesticide Factsheets

    Organic compounds and liquid water are major aerosol constituents in the southeast United States (SE US). Water associated with inorganic constituents (inorganic water) can contribute to the partitioning medium for organic aerosol when relative humidities or organic matter to organic carbon (OM ∕ OC) ratios are high such that separation relative humidities (SRH) are below the ambient relative humidity (RH). As OM ∕ OC ratios in the SE US are often between 1.8 and 2.2, organic aerosol experiences both mixing with inorganic water and separation from it. Regional chemical transport model simulations including inorganic water (but excluding water uptake by organic compounds) in the partitioning medium for secondary organic aerosol (SOA) when RH  >  SRH led to increased SOA concentrations, particularly at night. Water uptake to the organic phase resulted in even greater SOA concentrations as a result of a positive feedback in which water uptake increased SOA, which further increased aerosol water and organic aerosol. Aerosol properties, such as the OM ∕ OC and hygroscopicity parameter (κorg), were captured well by the model compared with measurements during the Southern Oxidant and Aerosol Study (SOAS) 2013. Organic nitrates from monoterpene oxidation were predicted to be the least water-soluble semivolatile species in the model, but most biogenically derived semivolatile species in the Community Multiscale Air Quality (CMAQ) model were hig

  16. Hydrogen bonding definitions and dynamics in liquid water.

    PubMed

    Kumar, R; Schmidt, J R; Skinner, J L

    2007-05-28

    X-ray and neutron diffractions, vibrational spectroscopy, and x-ray Raman scattering and absorption experiments on water are often interpreted in terms of hydrogen bonding. To this end a number of geometric definitions of hydrogen bonding in water have been developed. While all definitions of hydrogen bonding are to some extent arbitrary, those involving one distance and one angle for a given water dimer are unnecessarily so. In this paper the authors develop a systematic procedure based on two-dimensional potentials of mean force for defining cutoffs for a given pair of distance and angular coordinates. They also develop an electronic structure-based definition of hydrogen bonding in liquid water, related to the electronic occupancy of the antibonding OH orbitals. This definition turns out to be reasonably compatible with one of the distance-angle geometric definitions. These two definitions lead to an estimate of the number of hydrogen bonds per molecule in liquid simple point charge/extended (SPC/E) water of between 3.2 and 3.4. They also used these and other hydrogen-bond definitions to examine the dynamics of local hydrogen-bond number fluctuations, finding an approximate long-time decay constant for SPC/E water of between 0.8 and 0.9 ps, which corresponds to the time scale for local structural relaxation.

  17. On the implications of aerosol liquid water and phase separation for organic aerosol mass

    NASA Astrophysics Data System (ADS)

    Pye, Havala O. T.; Murphy, Benjamin N.; Xu, Lu; Ng, Nga L.; Carlton, Annmarie G.; Guo, Hongyu; Weber, Rodney; Vasilakos, Petros; Wyat Appel, K.; Hapsari Budisulistiorini, Sri; Surratt, Jason D.; Nenes, Athanasios; Hu, Weiwei; Jimenez, Jose L.; Isaacman-VanWertz, Gabriel; Misztal, Pawel K.; Goldstein, Allen H.

    2017-01-01

    Organic compounds and liquid water are major aerosol constituents in the southeast United States (SE US). Water associated with inorganic constituents (inorganic water) can contribute to the partitioning medium for organic aerosol when relative humidities or organic matter to organic carbon (OM / OC) ratios are high such that separation relative humidities (SRH) are below the ambient relative humidity (RH). As OM / OC ratios in the SE US are often between 1.8 and 2.2, organic aerosol experiences both mixing with inorganic water and separation from it. Regional chemical transport model simulations including inorganic water (but excluding water uptake by organic compounds) in the partitioning medium for secondary organic aerosol (SOA) when RH > SRH led to increased SOA concentrations, particularly at night. Water uptake to the organic phase resulted in even greater SOA concentrations as a result of a positive feedback in which water uptake increased SOA, which further increased aerosol water and organic aerosol. Aerosol properties, such as the OM / OC and hygroscopicity parameter (κorg), were captured well by the model compared with measurements during the Southern Oxidant and Aerosol Study (SOAS) 2013. Organic nitrates from monoterpene oxidation were predicted to be the least water-soluble semivolatile species in the model, but most biogenically derived semivolatile species in the Community Multiscale Air Quality (CMAQ) model were highly water soluble and expected to contribute to water-soluble organic carbon (WSOC). Organic aerosol and SOA precursors were abundant at night, but additional improvements in daytime organic aerosol are needed to close the model-measurement gap. When taking into account deviations from ideality, including both inorganic (when RH > SRH) and organic water in the organic partitioning medium reduced the mean bias in SOA for routine monitoring networks and improved model performance compared to observations from SOAS. Property updates from

  18. Liquid-liquid critical point in a simple analytical model of water

    NASA Astrophysics Data System (ADS)

    Urbic, Tomaz

    2016-10-01

    A statistical model for a simple three-dimensional Mercedes-Benz model of water was used to study phase diagrams. This model on a simple level describes the thermal and volumetric properties of waterlike molecules. A molecule is presented as a soft sphere with four directions in which hydrogen bonds can be formed. Two neighboring waters can interact through a van der Waals interaction or an orientation-dependent hydrogen-bonding interaction. For pure water, we explored properties such as molar volume, density, heat capacity, thermal expansion coefficient, and isothermal compressibility and found that the volumetric and thermal properties follow the same trends with temperature as in real water and are in good general agreement with Monte Carlo simulations. The model exhibits also two critical points for liquid-gas transition and transition between low-density and high-density fluid. Coexistence curves and a Widom line for the maximum and minimum in thermal expansion coefficient divides the phase space of the model into three parts: in one part we have gas region, in the second a high-density liquid, and the third region contains low-density liquid.

  19. Liquid-Liquid Phase Equilibria and Interactions between Droplets in Water-in-Oil Microemulsions.

    PubMed

    Yin, Tianxiang; Wang, Mingjie; Tao, Xiaoyi; Shen, Weiguo

    2016-12-20

    The liquid-liquid phase equilibria of [water/sodium bis(2-ethylhexyl)sulfosuccinate (AOT)/n-decane] with the molar ratio w0 of water to AOT being 37.9 and [water/AOT/ethoxylated-2,5,8,11-tetramethyl-6-dodecyne-5,8-diol(Dynol-604)/n-decane] with w0 = 37.9 and the mole fraction α of Dynol-604 in the total surfactants being 0.158 were measured in this study. From the data collected in the critical region, the critical exponent β corresponding to the width of the coexistence curve was determined, which showed good agreement with the 3D-Ising value. A thermodynamic approach based on the Carnahan-Starling-van der Waals type equation was proposed to describe the coexistence curves and to deduce the interaction properties between droplets in the microemulsions. The interaction enthalpies were found to be positive for the studied systems, which evidenced that the entropy effect dominated the phase separations as the temperature increased. The addition of Dynol-604 into the (water/AOT/n-decane) microemulsion resulted in the decrease in the critical temperature and the interaction enthalpy. Combining the liquid-liquid equilibrium data for (water/AOT/n-decane) microemulsions with various w0 values determined previously, it was shown that the interaction enthalpy decreased with w0 and tended to change its sign at low w0, which coincided with the results from the isothermal titration calorimetry investigation. All of these behaviors were interpreted by the effects of entropy and enthalpy and their competition, which resulted from the release of solvent molecules entrapped in the interface of microemulsion droplets and were dependent on the rigidity of the surfactant layers and the size of the droplet.

  20. X-Ray Spectroscopy of the Liquid Water Surface

    NASA Astrophysics Data System (ADS)

    Saykally, Richard

    2004-03-01

    We have developed a new experiment for probing molecular details of liquid-vapor interfaces of volatile substances and their solutions under equilibrium conditions. Electronic and geometric structures of interfacial molecules are probed by EXAFS and NEXAFS methods in the soft X-ray region, using the Advanced Light Source, Berkeley, CA. Liquids are introduced into a high vacuum environment through the use of liquid microjets, which have been characterized independently by Raman spectroscopy. Detection of ions and electrons produced by the Auger avalanche probe the bulk and surface regions of the microjet, respectively, as a result of their different escape depths. Our first efforts involved a comparative study of the interfaces of water and methanol, wherein we detailed the first observation of surface relaxation for a liquid. Analysis of EXAFS data yielded a 6distance at the water interface, whereas a 5was found for methanol. NEXAFS measurements, interpreted in terms of density functional theory simulations, indicate a large population of interfacial water molecules having two free OH bonds ("acceptor only molecules"). This complements the "single donor" species identified in sum frequency generation experiments. These results are supported by recent theoretical calculations. For methanol and other simple alcohols, the data indicate that free alkyl groups extend into the vapor part of the interface. Preliminary results for aqueous solutions, as well as for other pure liquids, have been obtained and are presently under analysis. REFERENCES 1. K.R. Wilson, R.D. Schaller, B.S. Rude, T. Catalano, D.T. Co, J.D. Bozek, and R.J. Saykally, "Surface relaxation in liquid water and methanol studied by X-ray absorption spectroscopy," J. Chem. Phys 117,7738(2002). 2. K.R. Wilson, M. Cavalleri, B.S. Rude, R.D. Schaller, A. Nilsson, L.G.M. Pettersson, N. Goldman, T. Catalano, J.D. Bozek, and R.J. Saykally, "Characterization of hydrogen bond acceptor molecules at the water surface

  1. Ionic-liquid-based dispersive liquid-liquid microextraction combined with high-performance liquid chromatography for the determination of multiclass pesticide residues in water samples.

    PubMed

    Tadesse, Bezuayehu; Teju, Endale; Gure, Abera; Megersa, Negussie

    2015-03-01

    Ionic-liquid-based dispersive liquid-liquid microextraction in combination with high-performance liquid chromatography and diode array detection has been proposed for the simultaneous analysis of four multiclass pesticide residues including carbaryl, methidathion, chlorothalonil, and ametryn from water samples. The major experimental parameters including the type and volume of ionic liquid, sample pH, type, and volume of disperser solvent and cooling time were investigated and optimum conditions were established. Under the optimum experimental conditions, limits of detection and quantification of the method were in the range of 0.1-1.8 and 0.4-5.9 μg/L, respectively, with satisfactory enrichment factors ranging from 10-20. The matrix-matched calibration curves, which were constructed for lake water, as a representative matrix were linear over wide range with coefficients of determination of 0.996 or better. Intra- and interday precisions, expressed as relative standard deviations, were in the range of 1.1-9.7 and 3.1-7.8%, respectively. The relative recoveries of the spiked environmental water samples at one concentration level were in the range of 77-102%. The results of the present study revealed that the proposed method is simple, fast, and uses environmentally friendly extraction solvent for the analysis of the target pesticide residues in environmental water samples.

  2. Dispersive liquid-liquid microextraction of silver nanoparticles in water using ionic liquid 1-octyl-3-methylimidazolium hexafluorophosphate.

    PubMed

    Chen, Sha; Sun, Yuanjing; Chao, Jingbo; Cheng, Liping; Chen, Yun; Liu, Jingfu

    2016-03-01

    Using the ionic liquid (IL) 1-octyl-3-methylimidazolium hexafluorophosphate as the extractant and methanol as the dispersion solvent, a dispersive liquid-liquid microextraction method was developed to extract silver nanoparticles (AgNPs) from environmental water samples. Parameters that influenced the extraction efficiency such as IL concentration, pH and extraction time were optimized. Under the optimized conditions, the highest extraction efficiency for AgNPs was above 90% with an enrichment factor of >90. The extracted AgNPs in the IL phase were identified by transmission electron microscopy and ultraviolet-visible spectroscopy, and quantified by inductively coupled plasma mass spectrometry after microwave digestion, with a detection limit of 0.01μg/L. The spiked recovery of AgNPs was 84.4% with a relative standard deviation (RSD) of 3.8% (n=6) at a spiked level of 5μg/L, and 89.7% with a RSD of 2.2% (n=6) at a spiked level of 300μg/L, respectively. Commonly existed environmental ions had a very limited influence on the extraction efficiency. The developed method was successfully applied to the analysis of AgNPs in river water, lake water, and the influent and effluent of a wastewater treatment plant, with recoveries in the range of 71.0%-90.9% at spiking levels of 0.11-4.7μg/L.

  3. Abundance and prevalence of Aedes aegypti immatures and relationships with household water storage in rural areas in southern Viet Nam.

    PubMed

    Nguyen, Le Anh P; Clements, Archie C A; Jeffery, Jason A L; Yen, Nguyen Thi; Nam, Vu Sinh; Vaughan, Gregory; Shinkfield, Ramon; Kutcher, Simon C; Gatton, Michelle L; Kay, Brian H; Ryan, Peter A

    2011-06-01

    Since 2000, the Government of Viet Nam has committed to provide rural communities with increased access to safe water through a variety of household water supply schemes (wells, ferrocement tanks and jars) and piped water schemes. One possible, unintended consequence of these schemes is the concomitant increase in water containers that may serve as habitats for dengue mosquito immatures, principally Aedes aegypti. To assess these possible impacts we undertook detailed household surveys of Ae. aegypti immatures, water storage containers and various socioeconomic factors in three rural communes in southern Viet Nam. Positive relationships between the numbers of household water storage containers and the prevalence and abundance of Ae. aegypti immatures were found. Overall, water storage containers accounted for 92-97% and 93-96% of the standing crops of III/IV instars and pupae, respectively. Interestingly, households with higher socioeconomic levels had significantly higher numbers of water storage containers and therefore greater risk of Ae. aegypti infestation. Even after provision of piped water to houses, householders continued to store water in containers and there was no observed decrease in water storage container abundance in these houses, compared to those that relied entirely on stored water. These findings highlight the householders' concerns about the limited availability of water and their strong behavoural patterns associated with storage of water. We conclude that household water storage container availability is a major risk factor for infestation with Ae. aegypti immatures, and that recent investment in rural water supply infrastructure are unlikely to mitigate this risk, at least in the short term.

  4. Optically Thin Liquid Water Clouds: Their Importance and Our Challenge

    NASA Technical Reports Server (NTRS)

    Turner, D. D.; Vogelmann, A. M.; Austin, R. T.; Barnard, J. C.; Cady-Pereira, K.; Chiu, J. C.; Clough, S. A.; Flynn, C.; Khaiyer, M. M.; Liljegren, J.; Johnson, K.; Lin, B.; Long, C.; Marshak, A.; Matrosov, S. Y.; McFarlane, S. A.; Miller, M.; Min, Q.; Minnis, P.; O'Hirok, W.; Wang, Z.; Wiscombe, W.

    2006-01-01

    Many of the clouds important to the Earth's energy balance, from the tropics to the Arctic, are optically thin and contain liquid water. Longwave and shortwave radiative fluxes are very sensitive to small perturbations of the cloud liquid water path (LWP) when the liquid water path is small (i.e., < g/sq m) and, thus, the radiative properties of these clouds must be well understood to capture them correctly in climate models. We review the importance of these thin clouds to the Earth's energy balance, and explain the difficulties in observing them. In particular, because these clouds are optically thin, potentially mixed-phase, and often (i.e., have large 3-D variability), it is challenging to retrieve their microphysical properties accurately. We describe a retrieval algorithm intercomparison that was conducted to evaluate the issues involved. The intercomparison included eighteen different algorithms to evaluate their retrieved LWP, optical depth, and effective radii. Surprisingly, evaluation of the simplest case, a single-layer overcast cloud, revealed that huge discrepancies exist among the various techniques, even among different algorithms that are in the same general classification. This suggests that, despite considerable advances that have occurred in the field, much more work must be done, and we discuss potential avenues for future work.

  5. Thermally driven electrokinetic energy conversion with liquid water microjets

    NASA Astrophysics Data System (ADS)

    Lam, Royce K.; Gamlieli, Zach; Harris, Stephen J.; Saykally, Richard J.

    2015-11-01

    A goal of current energy research is to design systems and devices that can efficiently exploit waste heat and utilize solar or geothermal heat energy for electrical power generation. We demonstrate a novel technique exploiting water's large coefficient of thermal expansion, wherein modest thermal gradients produce the requisite high pressure for driving fast-flowing liquid water microjets, which can effect the direct conversion of the kinetic energy into electricity and gaseous hydrogen. Waste heat in thermoelectric generating plants and combustion engines, as well as solar and geothermal energy could be used to drive these systems.

  6. Measuring Low Concentrations of Liquid Water in Soil

    NASA Technical Reports Server (NTRS)

    Buehler, Martin

    2009-01-01

    An apparatus has been developed for measuring the low concentrations of liquid water and ice in relatively dry soil samples. Designed as a prototype of instruments for measuring the liquidwater and ice contents of Lunar and Martian soils, the apparatus could also be applied similarly to terrestrial desert soils and sands. The apparatus is a special-purpose impedance spectrometer: Its design is based on the fact that the electrical behavior of a typical soil sample is well approximated by a network of resistors and capacitors in which resistances decrease and capacitances increase (and, hence, the magnitude of impedance decreases) with increasing water content.

  7. Rapid screening of water soluble arsenic species in edible oils using dispersive liquid-liquid microextraction.

    PubMed

    López-García, Ignacio; Briceño, Marisol; Vicente-Martínez, Yesica; Hernández-Córdoba, Manuel

    2015-01-15

    A methodology for the non-chromatographic screening of the main arsenic species present in edible oils is discussed. Reverse dispersive liquid-liquid microextraction was used to extract water soluble arsenic compounds (inorganic arsenic, methylarsonate, dimethylarsinate and arsenobetaine) from the edible oils into a slightly acidic aqueous medium. The total arsenic content was measured in the extracts by electrothermal atomic absorption spectrometry using palladium as the chemical modifier. By repeating the measurement using cerium instead of palladium, the sum of inorganic arsenic and methylarsonate was obtained. The detection limit was 0.03 ng As per gram of oil. Data for the total and water-soluble arsenic levels of 29 samples of different origin are presented. Inorganic arsenic was not found in any of the samples marketed as edible oils.

  8. Liquid water can slip on a hydrophilic surface

    PubMed Central

    Ho, Tuan Anh; Papavassiliou, Dimitrios V.; Lee, Lloyd L.; Striolo, Alberto

    2011-01-01

    Understanding and predicting the behavior of water, especially in contact with various surfaces, is a scientific challenge. Molecular-level understanding of hydrophobic effects and their macroscopic consequences, in particular, is critical to many applications. Macroscopically, a surface is classified as hydrophilic or hydrophobic depending on the contact angle formed by a water droplet. Because hydrophobic surfaces tend to cause water slip whereas hydrophilic ones do not, the former surfaces can yield self-cleaning garments and ice-repellent materials whereas the latter cannot. The results presented herein suggest that this dichotomy might be purely coincidental. Our simulation results demonstrate that hydrophilic surfaces can show features typically associated with hydrophobicity, namely liquid water slip. Further analysis provides details on the molecular mechanism responsible for this surprising result. PMID:21911406

  9. Temperature dependence of the structure of protein hydration water and the liquid-liquid transition.

    PubMed

    Accordino, S R; Malaspina, D C; Rodriguez Fris, J A; Alarcón, L M; Appignanesi, G A

    2012-03-01

    We study the temperature dependence of the structure and orientation of the first hydration layers of the protein lysozyme and compare it with the situation for a model homogeneous hydrophobic surface, a graphene sheet. We show that in both cases these layers are significantly better structured than bulk water. The geometrical constraint of the interface makes the water molecules adjacent to the surface lose one water-water hydrogen bond and expel the fourth neighbors away from the surface, lowering local density. We show that a decrease in temperature improves the ordering of the hydration water molecules, preserving such a geometrical effect. For the case of graphene, this favors an ice Ih-like local structuring, similar to the water-air interface but in the opposite way along the c axis of the basal plane (while the vicinal water molecules of the air interface orient a hydrogen atom toward the surface, the oxygens of the water molecules close to the graphene plane orient a lone pair in such a direction). In turn, the case of the first hydration layers of the lysozyme molecule is shown to be more complicated, but still displaying signs of both kinds of behavior, together with a tendency of the proximal water molecules to hydrogen bond to the protein both as donors and as acceptors. Additionally, we make evident the existence of signatures of a liquid-liquid transition (Widom line crossing) in different structural parameters at the temperature corresponding to the dynamic transition incorrectly referred to as "the protein glass transition."

  10. Extraction of pesticides in water samples using vortex-assisted liquid-liquid microextraction.

    PubMed

    Jia, Chunhong; Zhu, Xiaodan; Wang, Jihua; Zhao, Ercheng; He, Min; Chen, Li; Yu, Pingzhong

    2010-09-10

    A simple solvent microextraction method termed vortex-assisted liquid-liquid microextraction (VALLME) coupled with gas chromatography micro electron-capture detector (GC-microECD) has been developed and used for the pesticide residue analysis in water samples. In the VALLME method, aliquots of 30 microL toluene used as extraction solvent were directly injected into a 25 mL volumetric flask containing the water sample. The extraction solvent was dispersed into the water phase under vigorously shaking with the vortex. The parameters affecting the extraction efficiency of the proposed VALLME such as extraction solvent, vortex time, volumes of extraction solvent and salt addition were investigated. Under the optimum condition, enrichment factors (EFs) in a range of 835-1115 and limits of detection below 0.010 microg L(-1) were obtained for the determination of target pesticides in water. The calculated calibration curves provide high levels of linearity yielding correlation coefficients (r(2)) greater than 0.9958 with the concentration level ranged from 0.05 to 2.5 microg L(-1). Finally, the proposed method has been successfully applied to the determination of pesticides from real water samples and acceptable recoveries over the range of 72-106.3% were obtained.

  11. Spatial-Temporal Survey and Occupancy-Abundance Modeling To Predict Bacterial Community Dynamics in the Drinking Water Microbiome

    PubMed Central

    Pinto, Ameet J.; Schroeder, Joanna; Lunn, Mary; Sloan, William

    2014-01-01

    ABSTRACT Bacterial communities migrate continuously from the drinking water treatment plant through the drinking water distribution system and into our built environment. Understanding bacterial dynamics in the distribution system is critical to ensuring that safe drinking water is being supplied to customers. We present a 15-month survey of bacterial community dynamics in the drinking water system of Ann Arbor, MI. By sampling the water leaving the treatment plant and at nine points in the distribution system, we show that the bacterial community spatial dynamics of distance decay and dispersivity conform to the layout of the drinking water distribution system. However, the patterns in spatial dynamics were weaker than those for the temporal trends, which exhibited seasonal cycling correlating with temperature and source water use patterns and also demonstrated reproducibility on an annual time scale. The temporal trends were driven by two seasonal bacterial clusters consisting of multiple taxa with different networks of association within the larger drinking water bacterial community. Finally, we show that the Ann Arbor data set robustly conforms to previously described interspecific occupancy abundance models that link the relative abundance of a taxon to the frequency of its detection. Relying on these insights, we propose a predictive framework for microbial management in drinking water systems. Further, we recommend that long-term microbial observatories that collect high-resolution, spatially distributed, multiyear time series of community composition and environmental variables be established to enable the development and testing of the predictive framework. PMID:24865557

  12. Spatio-temporal variations in the diversity and abundance of commercially important Decapoda and Stomatopoda in subtropical Hong Kong waters

    NASA Astrophysics Data System (ADS)

    Lui, Karen K. Y.; Ng, Jasmine S. S.; Leung, Kenneth M. Y.

    2007-05-01

    In subtropical Hong Kong, western waters (WW) are strongly influenced by the freshwater input from the Pearl River estuary, especially during summer monsoon, whereas eastern waters (EW) are predominantly influenced by oceanic currents throughout the year. Such hydrographical differences may lead to spatio-temporal differences in biodiversity of benthic communities. This study investigated the diversity and abundance of commercially important decapods and stomatopods in EW (i.e. Tolo Harbour and Channel) and WW (i.e. Tuen Mun and Lantau Island) of Hong Kong using monthly trawl surveys (August 2003-May 2005). In total, 22 decapod and nine stomatopod species were recorded. The penaeid Metapenaeopsis sp. and stomatopod Oratosquillina interrupta were the most abundant and dominant crustaceans in EW and WW, respectively. Both univariate and multivariate analyses showed that WW supported significantly higher abundance, biomass and diversity of crustaceans than EW, although there were significant between-site and within-site variations in community structure. Higher abundance and biomass of crustaceans were recorded in summer than winter. Such spatio-temporal variations could be explained by differences in the hydrography, environmental conditions and anthropogenic impacts between the two areas. Temporal patterns in the abundance-biomass comparison curves and negative W-statistics suggest that the communities have been highly disturbed in both areas, probably due to anthropogenic activities such as bottom trawling and marine pollution.

  13. Ab initio liquid water from PBE0 hybrid functional simulations

    NASA Astrophysics Data System (ADS)

    Li, Zhaofeng; Wu, Xifan; Car, Roberto

    2010-03-01

    For reasons of computational efficiency, so far most ab initio molecular dynamics simulations of liquid water have been based on semi-local density functional approximations, such as PBE and BLYP. These approaches yield a liquid structure that, albeit qualitatively correct, is overstructured compared to experiment, even after nuclear quantum effects have been taken into account.footnotetextJ. A. Morrone and R. Car, Phys. Rev. Lett. 101, 017801(2008) A major cause of this inaccuracy is the delocalization error associated to semi-local density functional approximations, which, as a consequence, overestimate slightly the hydrogen bond strength in the liquid. In this work we adopt the PBE0 hybrid functional approximation, which, by mixing a fraction of exact (Hartree-Fock) exchange, reduces significantly the delocalization error of semi-local functionals. Our approach is based on a numerically efficient order-N implementation of exact exchange.footnotetextX. Wu, A. Selloni, and R. Car, Phys. Rev. B 79, 085102(2009) We find that PBE0 systematically improves the agreement of the simulated liquid with experiment. Our conclusion is substantiated by the calculated radial distribution functions, H-bond statistics, and molecular dipole distribution.

  14. IR and Raman spectra of liquid water: theory and interpretation.

    PubMed

    Auer, B M; Skinner, J L

    2008-06-14

    IR and Raman (parallel- and perpendicular-polarized) spectra in the OH stretch region for liquid water were measured some years ago, but their interpretation is still controversial. In part, this is because theoretical calculation of such spectra for a neat liquid presents a formidable challenge due to the coupling between vibrational chromophores and the effects of motional narrowing. Recently we proposed an electronic structure/molecular dynamics method for calculating spectra of dilute HOD in liquid D(2)O, which relied on ab initio calculations on clusters to provide a map from nuclear coordinates of the molecules in the liquid to OH stretch frequencies, transition dipoles, and polarizabilities. Here we extend this approach to the calculation of couplings between chromophores. From the trajectories of the fluctuating local-mode frequencies, transition moments, and couplings, we use our recently developed time-averaging approximation to calculate the line shapes. Our results are in good agreement with experiment for the IR and Raman line shapes, and capture the significant differences among them. Our analysis shows that while the coupling between chromophores is relatively modest, it nevertheless produces delocalization of the vibrational eigenstates over up to 12 chromophores, which has a profound effect on the spectroscopy. In particular, our results demonstrate that the peak in the parallel-polarized Raman spectrum at about 3250 wavenumbers is collective in nature.

  15. Tuning the Liquid-Liquid Transition by Modulating the Hydrogen-Bond Angular Flexibility in a Model for Water

    NASA Astrophysics Data System (ADS)

    Smallenburg, Frank; Sciortino, Francesco

    2015-07-01

    We propose a simple extension of the well known ST2 model for water [F. H. Stillinger and A. Rahman, J. Chem. Phys. 60, 1545 (1974)] that allows for a continuous modification of the hydrogen-bond angular flexibility. We show that the bond flexibility affects the relative thermodynamic stability of the liquid and of the hexagonal (or cubic) ice. On increasing the flexibility, the liquid-liquid critical point, which in the original ST2 model is located in the no-man's land (i.e., the region where ice is the thermodynamically stable phase) progressively moves to a temperature where the liquid is more stable than ice. Our study definitively proves that the liquid-liquid transition in the ST2 model is a genuine phenomenon, of high relevance in all tetrahedral network-forming liquids, including water.

  16. Liquid water simulations with the density fragment interaction approach.

    PubMed

    Hu, Xiangqian; Jin, Yingdi; Zeng, Xiancheng; Hu, Hao; Yang, Weitao

    2012-06-07

    We reformulate the density fragment interaction (DFI) approach [Fujimoto and Yang, J. Chem. Phys., 2008, 129, 054102.] to achieve linear-scaling quantum mechanical calculations for large molecular systems. Two key approximations are developed to improve the efficiency of the DFI approach and thus enable the calculations for large molecules: the electrostatic interactions between fragments are computed efficiently by means of polarizable electrostatic-potential-fitted atomic charges; and frozen fragment pseudopotentials, similar to the effective fragment potentials that can be fitted from interactions between small molecules, are employed to take into account the Pauli repulsion effect among fragments. Our reformulated and parallelized DFI method demonstrates excellent parallel performance based on the benchmarks for the system of 256 water molecules. Molecular dynamics simulations for the structural properties of liquid water also show a qualitatively good agreement with experimental measurements including the heat capacity, binding energy per water molecule, and the radial distribution functions of atomic pairs of O-O, O-H, and H-H. With this approach, large-scale quantum mechanical simulations for water and other liquids become feasible.

  17. One-dimensional model for water and aqueous solutions. I. Pure liquid water

    NASA Astrophysics Data System (ADS)

    Ben-Naim, Arieh

    2008-01-01

    Two simplified one-dimensional models for waterlike particles are studied. One is referred to as the primitive model which is a simplified version of a model introduced by Ben-Naim in 1992 [Statistical Thermodynamics for Chemists and Biochemists (Plenum, New York, 1992)]. The second, referred to as the primitive cluster model, is a simplified version of the model used by Lovett and Ben-Naim in 1969 [J. Chem. Phys. 51, 3108 (1969)]. The two models are shown to be nearly equivalent and both exhibit some of the most characteristic behavior of liquid water. It is argued that a key feature of the molecular interactions—the correlation between the strong binding energy and low local density—is essential for the manifestation of the anomalous behavior of liquid water. It is also essential for the understanding of the outstanding behavior of liquid water.

  18. Selective extraction of emerging contaminants from water samples by dispersive liquid-liquid microextraction using functionalized ionic liquids.

    PubMed

    Yao, Cong; Li, Tianhao; Twu, Pamela; Pitner, William R; Anderson, Jared L

    2011-03-25

    Functionalized ionic liquids containing the tris(pentafluoroethyl)trifluorophosphate (FAP) anion were used as extraction solvents in dispersive liquid-liquid microextraction (DLLME) for the extraction of 14 emerging contaminants from water samples. The extraction efficiencies and selectivities were compared to those of an in situ IL DLLME method which uses an in situ metathesis reaction to exchange 1-butyl-3-methylimidazolium chloride (BMIM-Cl) to 1-butyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide (BMIM-NTf(2)). Compounds containing tertiary amine functionality were extracted with high selectivity and sensitivity by the 1-(6-amino-hexyl)-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate (HNH(2)MPL-FAP) IL compared to other FAP-based ILs and the BMIM-NTf(2) IL. On the other hand, polar or acidic compounds without amine groups exhibited higher enrichment factors using the BMIM-NTf(2) IL. The detection limits for the studied analytes varied from 0.1 to 55.1 μg/L using the traditional IL DLLME method with the HNH(2)MPL-FAP IL as extraction solvent, and from 0.1 to 55.8 μg/L using in situ IL DLLME method with BMIM-Cl+LiNTf(2) as extraction solvent. A 93-fold decrease in the detection limit of caffeine was observed when using the HNH(2)MPL-FAP IL compared to that obtained using in situ IL DLLME method. Real water samples including tap water and creek water were analyzed with both IL DLLME methods and yielded recoveries ranging from 91% to 110%.

  19. A "First Principles" Potential Energy Surface for Liquid Water from VRT Spectroscopy of Water Clusters

    SciTech Connect

    Goldman, N; Leforestier, C; Saykally, R J

    2004-05-25

    We present results of gas phase cluster and liquid water simulations from the recently determined VRT(ASP-W)III water dimer potential energy surface. VRT(ASP-W)III is shown to not only be a model of high ''spectroscopic'' accuracy for the water dimer, but also makes accurate predictions of vibrational ground-state properties for clusters up through the hexamer. Results of ambient liquid water simulations from VRT(ASP-W)III are compared to those from ab initio Molecular Dynamics, other potentials of ''spectroscopic'' accuracy, and to experiment. The results herein represent the first time that a ''spectroscopic'' potential surface is able to correctly model condensed phase properties of water.

  20. Liquid-liquid coexistence and crystallization in supercooled ST2 water

    NASA Astrophysics Data System (ADS)

    Martelli, Fausto; Palmer, Jeremy; Debenedetti, Pablo; Car, Roberto

    2014-03-01

    We have computed the free energy landscape of ST2 water in the supercooled regime (228.6 K and 2.4 kbar) using several state-of-the-art computational techniques, including umbrella sampling and metadynamics. Such results conclusively demonstrate coexistence between two liquid phases, a high-density liquid (HDL) and a low-density liquid (HDL), which are metastable with respect to cubic ice. We show that the three phases have distinct structural features characterized by the local structure index and ring statistics. We also find that ice nucleation, should it occur, does so from the low-density liquid. Interestingly, we find that the number of 6-member rings increases monotonically along the path from HDL to LDL, while non-monotonic behavior is observed near the saddle point along the LDL-ice Ic path. This behavior indicates a complex re-arrangement of the H-bond network, followed by progressive crystallization. DOE: DE-SC0008626 (F. M. and R.C.)

  1. Shock wave initiated by an ion passing through liquid water

    NASA Astrophysics Data System (ADS)

    Surdutovich, Eugene; Solov'Yov, Andrey V.

    2010-11-01

    We investigate the shock wave produced by an energetic ion in liquid water. This wave is initiated by a rapid energy loss when the ion moves through the Bragg peak. The energy is transferred from the ion to secondary electrons, which then transfer it to the water molecules. The pressure in the overheated water increases by several orders of magnitude and drives a cylindrical shock wave on a nanometer scale. This wave eventually weakens as the front expands further; but before that, it may contribute to DNA damage due to large pressure gradients developed within a few nanometers from the ion’s trajectory. This mechanism of DNA damage may be a very important contribution to the direct chemical effects of low-energy electrons and holes.

  2. Development of a liquid-fed water resistojet

    NASA Technical Reports Server (NTRS)

    Morren, W. Earl; Stone, James R.

    1988-01-01

    A concept for a forced-flow once-through water vaporizer for application to resistojet thrusters was evaluated as an element of a laboratory model thruster and tested to investigate its operating characteristics. The vaporizer design concept employs flow swirling to attach the liquid flow to the boiler chamber wall, providing for separation of the two liquid phases. This vaporizer was modified with a nozzle and a centrally-located heater to facilitate vaporization, superheating, and expansion of the propellant, allowing it to function as a resistojet. Performance was measured at thrust levels ranging from 170 to 360 mN and at power levels ranging from 443 to 192 W. Maximum measured specific impulse was 192 sec.

  3. Thermodynamic properties of liquid water from a polarizable intermolecular potential.

    PubMed

    Yigzawe, Tesfaye M; Sadus, Richard J

    2013-01-28

    Molecular dynamics simulation results are reported for the pressure, isothermal pressure coefficient, thermal expansion coefficient, isothermal and adiabatic compressibilities, isobaric and isochoric heat capacities, Joule-Thomson coefficient and speed of sound of liquid water using a polarizable potential [Li et al., J. Chem. Phys. 127, 154509 (2007)]. These properties were obtained for a wide range of temperatures and pressures at a common liquid density using the treatment of Lustig [J. Chem. Phys. 100, 3048 (1994)] and Meier and Kabelac [J. Chem. Phys. 124, 064104 (2006)], whereby thermodynamic state variables are expressible in terms of phase-space functions determined directly from molecular dynamics simulations. Comparison with experimental data indicates that the polarizable potential can be used to predict most thermodynamic properties with a very good degree of accuracy.

  4. Size-Resolved Photoelectron Anisotropy of Gas Phase Water Clusters and Predictions for Liquid Water

    NASA Astrophysics Data System (ADS)

    Hartweg, Sebastian; Yoder, Bruce L.; Garcia, Gustavo A.; Nahon, Laurent; Signorell, Ruth

    2017-03-01

    We report the first measurements of size-resolved photoelectron angular distributions for the valence orbitals of neutral water clusters with up to 20 molecules. A systematic decrease of the photoelectron anisotropy is found for clusters with up to 5-6 molecules, and most remarkably, convergence of the anisotropy for larger clusters. We suggest the latter to be the result of a local short-range scattering potential that is fully described by a unit of 5-6 molecules. The cluster data and a detailed electron scattering model are used to predict the anisotropy of slow photoelectrons in liquid water. Reasonable agreement with experimental liquid jet data is found.

  5. Liquid water and resurfacing of Enceladus' south polar terrain

    NASA Astrophysics Data System (ADS)

    Tobie, G.; Besserer, J.; Cadek, O.; Choblet, G.; Sotin, C.

    2008-09-01

    Enceladus are the only solid objects in the Solar System to be sufficiently geologically active for their internal heat to be detected by remote sensing. Interestingly, the endogenic activity on Enceladus is only located on a specific region at the south pole, from which jets of water vapor and ice particles have been observed ([1], [2]). The current polar location of the thermal anomaly can possibly be explained by diapirinduced reorientation of the satellite [3], but the triggering of the thermal anomaly and the heat power required to sustain it over geologic timescales remain problematic. Using a three-dimensional viscoelastic numerical model simulating the response of Enceladus to tidal forcing, we have demonstrated in a previous recent study [4] that only interior models with a liquid water layer at depth can explain the observed magnitude of dissipation and its particular location at the south pole (Fig. 1). Moreover, as tidally-induced heat must be generated over a relatively broad region in the southern hemisphere to explain the observed thermal emission, we proposed that this heat is then transferred toward the south polar terrain where it could be episodically released during relatively short resurfacing events. In the present study, we investigate the thermal stability of localized liquid water reservoir at the rock-ice interface by performing simulations of thermal convection in three-dimensional spherical geometry with the numerical tool OEDIPUS ([5],[6]) and by computing the corresponding dissipation pattern using the method developped in [4]. Where liquid water is present, a constant temperature equal to the melting temperature of water ice is prescribed at the base of the ice shell. Outside this region, a constant heat flux owing to the radiogenic power coming out of the silicate core is prescribed. Figure 2 illustrates the temperature field obtained for varying size of the liquid reservoir (ranging from 60o to 120o). These preliminary results

  6. Ionic liquid foam floatation coupled with ionic liquid dispersive liquid-liquid microextraction for the separation and determination of estrogens in water samples by high-performance liquid chromatography with fluorescence detection.

    PubMed

    Zhang, Rui; Wang, Chuanliu; Yue, Qiaohong; Zhou, Tiecheng; Li, Na; Zhang, Hanqi; Hao, Xiaoke

    2014-11-01

    An ionic liquid foam floatation coupled with ionic liquid dispersive liquid-liquid microextraction method was proposed for the extraction and concentration of 17-α-estradiol, 17-β-estradiol-benzoate, and quinestrol in environmental water samples by high-performance liquid chromatography with fluorescence detection. 1-Hexyl-3-methylimidazolium tetrafluoroborate was applied as foaming agent in the foam flotation process and dispersive solvent in microextraction. The introduction of the ion-pairing and salting-out agent NH4 PF6 was beneficial to the improvement of recoveries for the hydrophobic ionic liquid phase and analytes. Parameters of the proposed method including concentration of 1-hexyl-3-methylimidazolium tetrafluoroborate, flow rate of carrier gas, floatation time, types and concentration of ionic liquids, salt concentration in samples, extraction time, and centrifugation time were evaluated. The recoveries were between 98 and 105% with relative standard deviations lower than 7% for lake water and well water samples. The isolation of the target compounds from the water was found to be efficient, and the enrichment factors ranged from 4445 to 4632. This developing method is free of volatile organic solvents compared with regular extraction. Based on the unique properties of ionic liquids, the application of foam floatation, and dispersive liquid-liquid microextraction was widened.

  7. The abundance and thermal history of water ice in the disk surrounding HD 142527 from the DIGIT Herschel Key Program

    NASA Astrophysics Data System (ADS)

    Min, M.; Bouwman, J.; Dominik, C.; Waters, L. B. F. M.; Pontoppidan, K. M.; Hony, S.; Mulders, G. D.; Henning, Th.; van Dishoeck, E. F.; Woitke, P.; Evans, Neal J., II; Digit Team

    2016-08-01

    Context. The presence or absence of ice in protoplanetary disks is of great importance to the formation of planets. By enhancing solid surface density and increasing sticking efficiency, ice catalyzes the rapid formation of planetesimals and decreases the timescale of giant planet core accretion. Aims: In this paper, we analyze the composition of the outer disk around the Herbig star HD 142527. We focus on the composition of water ice, but also analyze the abundances of previously proposed minerals. Methods: We present new Herschel far-infrared spectra and a re-reduction of archival data from the Infrared Space Observatory (ISO). We modeled the disk using full 3D radiative transfer to obtain the disk structure. Also, we used an optically thin analysis of the outer disk spectrum to obtain firm constraints on the composition of the dust component. Results: The water ice in the disk around HD 142527 contains a large reservoir of crystalline water ice. We determine the local abundance of water ice in the outer disk (i.e., beyond 130 AU). The re-reduced ISO spectrum differs significantly from that previously published, but matches the new Herschel spectrum at their common wavelength range. In particular, we do not detect any significant contribution from carbonates or hydrous silicates, in contrast to earlier claims. Conclusions: The amount of water ice detected in the outer disk requires ~80% of oxygen atoms. This is comparable to the water ice abundance in the outer solar system, comets, and dense interstellar clouds. The water ice is highly crystalline while the temperatures where we detect it are too low to crystallize the water on relevant timescales. We discuss the implications of this finding.

  8. Small-scale experimental study of vaporization flux of liquid nitrogen released on water.

    PubMed

    Gopalaswami, Nirupama; Olewski, Tomasz; Véchot, Luc N; Mannan, M Sam

    2015-10-30

    A small-scale experimental study was conducted using liquid nitrogen to investigate the convective heat transfer behavior of cryogenic liquids released on water. The experiment was performed by spilling five different amounts of liquid nitrogen at different release rates and initial water temperatures. The vaporization mass fluxes of liquid nitrogen were determined directly from the mass loss measured during the experiment. A variation of initial vaporization fluxes and a subsequent shift in heat transfer mechanism were observed with changes in initial water temperature. The initial vaporization fluxes were directly dependent on the liquid nitrogen spill rate. The heat flux from water to liquid nitrogen determined from experimental data was validated with two theoretical correlations for convective boiling. It was also observed from validation with correlations that liquid nitrogen was found to be predominantly in the film boiling regime. The substantial results provide a suitable procedure for predicting the heat flux from water to cryogenic liquids that is required for source term modeling.

  9. [Effects of macro-jellyfish abundance dynamics on fishery resource structure in the Yangtze River estuary and its adjacent waters].

    PubMed

    Shan, Xiu-Juan; Zhuang, Zhi-Meng; Jin, Xian-Shi; Dai, Fang-Qun

    2011-12-01

    Based on the bottom trawl survey data in May 2007 and May and June 2008, this paper analyzed the effects of the abundance dynamics of macro-jellyfish on the species composition, distribution, and abundance of fishery resource in the Yangtze River estuary and its adjacent waters. From May 2007 to June 2008, the average catch per haul and the top catch per haul of macro-jellyfish increased, up to 222.2 kg x h(-1) and 1800 kg x h(-1) in June 2008, respectively. The macro-jellyfish were mainly distributed in the areas around 50 m isobath, and not beyond 100 m isobath where was the joint front of the coastal waters of East China Sea, Yangtze River runoff, and Taiwan Warm Current. The main distribution area of macro-jellyfish in June migrated northward, as compared with that in May, and the highest catches of macro-jellyfish in May 2007 and May 2008 were found in the same sampling station (122.5 degrees E, 28.5 degrees N). In the sampling stations with higher abundance of macro-jellyfish, the fishery abundance was low, and the fishery species also changed greatly, mainly composed by small-sized species (Trachurus japonicus, Harpadon nehereus, and Acropoma japonicum) and pelagic species (Psenopsis anomala, Octopus variabilis) and Trichiurus japonicus, and P. anomala accounted for 23.7% of the total catch in June 2008. Larimichthys polyactis also occupied higher proportion of the total catch in sampling stations with higher macro-jellyfish abundance, but the demersal species Lophius litulon was not found, and a few crustaceans were collected. This study showed that macro-jellyfish had definite negative effects on the fishery community structure and abundance in the Yangtze River estuary fishery ecosystem, and further, changed the energy flow patterns of the ecosystem through cascading trophic interactions. Therefore, macro-jellyfish was strongly suggested to be an independent ecological group when the corresponding fishery management measures were considered.

  10. NEAR-INFRARED PHOTOMETRY OF Y DWARFS: LOW AMMONIA ABUNDANCE AND THE ONSET OF WATER CLOUDS

    SciTech Connect

    Leggett, S. K.; Morley, Caroline V.; Marley, M. S.; Saumon, D.

    2015-01-20

    We present new near-infrared photometry for seven late-type T dwarfs and nine Y-type dwarfs, and lower limit magnitudes for a tenth Y dwarf, obtained at Gemini Observatory. We also present a reanalysis of H-band imaging data from the Keck Observatory Archive, for an 11th Y dwarf. These data are combined with earlier MKO-system photometry, Spitzer and WISE mid-infrared photometry, and available trigonometric parallaxes, to create a sample of late-type brown dwarfs that includes 10 T9-T9.5 dwarfs or dwarf systems, and 16 Y dwarfs. We compare the data to our models, which include updated H{sub 2} and NH{sub 3} opacity, as well as low-temperature condensate clouds. The models qualitatively reproduce the trends seen in the observed colors; however, there are discrepancies of around a factor of two in flux for the Y0-Y1 dwarfs, with T {sub eff} ≈ 350-400 K. At T {sub eff} ∼ 400 K, the problems could be addressed by significantly reducing the NH{sub 3} absorption, for example by halving the abundance of NH{sub 3} possibly by vertical mixing. At T {sub eff} ∼ 350 K, the discrepancy may be resolved by incorporating thick water clouds. The onset of these clouds might occur over a narrow range in T {sub eff}, as indicated by the observed small change in 5 μm flux over a large change in J – W2 color. Of the known Y dwarfs, the reddest in J –W2 are WISEP J182831.08+265037.8 and WISE J085510.83–071442.5. We interpret the former as a pair of identical 300-350 K dwarfs, and the latter as a 250 K dwarf. If these objects are ∼3 Gyr old, their masses are ∼10 and ∼5 Jupiter-masses, respectively.

  11. Determination of trace lead in biological and water samples with dispersive liquid-liquid microextraction preconcentration.

    PubMed

    Liang, Pei; Sang, Hongbo

    2008-09-01

    A new method for the determination of trace lead was developed by dispersive liquid-liquid microextraction preconcentration and graphite furnace atomic absorption spectrometry. In the proposed approach, 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (PMBP) was used as a chelating agent, and carbon tetrachloride and ethanol were selected as extraction and dispersive solvents. Some factors influencing the extraction efficiency of lead and its subsequent determination, including extraction and dispersive solvent type and volume, pH of sample solution, concentration of the chelating agent, and extraction time, were studied and optimized. Under the optimum conditions, the enrichment factor of this method for lead was reached at 78. The detection limit for lead was 39 ng L(-1) (3 sigma), and the relative standard deviation (RSD) was 3.2% (n=7, c=10 ng mL(-1)). The method was successfully applied to the determination of trace amounts of lead in human urine and water samples.

  12. Interfacial thermodynamics of water and six other liquid solvents.

    PubMed

    Pascal, Tod A; Goddard, William A

    2014-06-05

    We examine the thermodynamics of the liquid-vapor interface by direct calculation of the surface entropy, enthalpy, and free energy from extensive molecular dynamics simulations using the two-phase thermodynamics (2PT) method. Results for water, acetonitrile, cyclohexane, dimethyl sulfoxide, hexanol, N-methyl acetamide, and toluene are presented. We validate our approach by predicting the interfacial surface tensions (IFT--excess surface free energy per unit area) in excellent agreement with the mechanical calculations using Kirkwood-Buff theory. Additionally, we evaluate the temperature dependence of the IFT of water as described by the TIP4P/2005, SPC/Ew, TIP3P, and mW classical water models. We find that the TIP4P/2005 and SPC/Ew water models do a reasonable job of describing the interfacial thermodynamics; however, the TIP3P and mW are quite poor. We find that the underprediction of the experimental IFT at 298 K by these water models results from understructured surface molecules whose binding energies are too weak. Finally, we performed depth profiles of the interfacial thermodynamics which revealed long tails that extend far into what would be considered bulk from standard Gibbs theory. In fact, we find a nonmonotonic interfacial free energy profile for water, a unique feature that could have important consequences for the absorption of ions and other small molecules.

  13. Storage tank with liquid insulator for storing cryogenic fluids using water displacement

    SciTech Connect

    McCabe, J.S.; Stafford, D.C.; Laverman, R.J.

    1980-06-24

    For storing cryogenic liquids such as LNG at or slightly above atmospheric pressure, this design uses a tank with insulated vertical walls and an insulated top located in and surrounded by a body of water in communication with a layer of water inside the tank; the level of the tank contents can thus be controlled using the water-displacement principle. A layer of insulating liquid having a specific gravity lower than water and higher than LNG (or the cryogenic liquid being stored) separates the water and LNG while remaining liquid at the cryogenic temperature; the insulating liquid - pentanes, particularly isopentane, are suitable - must be essentially immiscible with water, LNG, or both. For preventing turbulent mixing of the water and LNG while the tank is being filled or emptied, a float in the form of a closed or open shell made partially or entirely of insulating material extends over the water layer and contains the insulating liquid.

  14. Cloud and rain liquid water statistics in the CHUVA campaign

    NASA Astrophysics Data System (ADS)

    Calheiros, Alan J. P.; Machado, Luiz A. T.

    2014-07-01

    The purpose of this study is to present statistics related to the integration of cloud and rain liquid water and the profiles for different cloud types and regimes. From 2010 to 2012, the CHUVA project collected information regarding cloud and rain characteristics in different precipitation regimes in Brazil. CHUVA had four field campaigns between 2010 and 2011, located in the North, Northeast and Southeast regions of Brazil, covering the semi-arid, Amazon, coastal and mountain regions. The synergy of several instruments allowed us to classify rain events and describe the cloud processes regionally. Microwave radiometers, LiDAR, radar, and disdrometers were employed in this study. The rain type classification was made using vertical profiles of reflectivity (VPR) and polarimetric variables from dual polarization radar (XPOL). The integrated liquid water (ILWC) for non-precipitating clouds was retrieved with a microwave ground-based radiometer using a neural network. For rainy conditions, the profiles from the rain liquid water content (LWCR) and their integrated (ILWR) properties were estimated by Micro Rain Radar (MRR) and XPOL VPRs. For non-precipitating clouds, the ILWC values were larger for the sites in tropical regions, in particular near the coast, than for Southeast Brazil. For rainy cases, distinct LWCR profiles were observed for different rain classifications and regions. The differences are small for low rain rates and a distinction between different rainfall regimes is more evident for high rain rates. Vale and Belém clouds present the deepest layers and largest convective rain rates. The clouds in the Southeast region of Brazil (Vale do Paraíba) and North region (Belém) showed the largest reflectivity in the mixed and glaciated layers, respectively. In contrast, the Northeast coastal site (e.g. Fortaleza) showed larger values in the warm part of the clouds. Several analyses are presented, describing the cloud processes and the differences among the

  15. The abundance of benthic calcareous Foraminifera and other meiofauna at a time series station in the Northeast Water Polynya, Greenland

    NASA Astrophysics Data System (ADS)

    Newton, Adrian C.; Rowe, Gilbert T.

    1995-03-01

    Abundance and vertical distribution of living calcareous Foraminifera and associated meiofauna have been estimated during the ice-free period in 1992 and 1993 at a time series station in the Northeast Water Polynya off eastern Greenland. Calcareous forams (>150 μm) represented on average 28-39% of the meiofaunal size class. The mean abundance for both years was 574 individuals/100 cm2, and the variability of the estimates (Standard deviation = ±140) was relatively modest for benthic samples (Standard error=8.7% of the mean, number of samples=8). The abundance in 1992 was lower than in 1993 (probability <0.05), reflecting a smaller polynya, with less surface water productivity. While 41% of the variation in abundance in 1993 could be explained as a function of time (the estimated mean doubled between May 30 (387 ind/100 cm2) and July 24 (734 ind/100 cm2)), supporting earlier observations elsewhere that Foraminifera respond rapidly to seasonal or pulsed food inputs, the relationship was not statistically significant. The number of species present was low, a characteristic observed in other foram biofacies associated with open water shelf regions of the Arctic. This assemblage was dominated by a few calcareous forms: Elphidium excavatum, Melonis barleeanum, Nonionella labradorica, and Bucella frigida. Green and brown material, which we suspect was freshly settled phytodetritus, was found in numerous individuals of the dominant calcareous species located as deep as 6 cm within the sediment. The dominant species, including those containing "pigments," were encountered at specific, fairly narrow depth ranges within the sediment, with maximum abundances being common below, rather than at the sediment surface. Other meiofauna (nematodes, agglutinated forams, and ostracods) occurred to depths as great as 10 cm in all cores, but their greatest densities were generally confined to surface sediments.

  16. Review of factors affecting the distribution and abundance of waterfowl in shallow-water habitats of Chesapeake Bay

    USGS Publications Warehouse

    Perry, M.C.; Deller, A.S.

    1996-01-01

    Long-term trends of waterfowl populations in Chesapeake Bay demonstrate the importance of shallow-water habitats for waterfowl species. Although recent increases in field feeding by geese and swans lessened the importance of shallow-water areas for these species, most duck species depend almost exclusively on shallow-water habitats. Many factors influenced the distribution and abundance of waterfowl in shallow-water habitats. Habitat degradation resulted in the decline in numbers of most duck species and a change in distribution of some species. Increased numbers of mallards (Anas platyrhynchos) in recent decades probably resulted from release programs conducted by the Maryland Department of Natural Resources and private individuals. Studies of food habits since 1885 showed a decline in submerged-aquatic vegetation in the diet of some species, such as the canvasback (Aythya valisineria ), and an increase in the proportions of invertebrates in the diet. Diversity of food organisms for many waterfowl species has declined. Surveys of vegetation and invertebrates in the Chesapeake Bay generally reflect a degradation of shallow-water habitat. Human population increases in the Chesapeake Bay watershed directly and indirectly affected waterfowl distribution and abundance. The increase of exotic plant and invertebrate species in the bay, in most cases, benefited waterfowl populations. Increased contaminants have reduced the quality and quantity of habitat, although serious attempts to reverse this trend are underway. The use of shallow-water habitats by humans for fishing, hunting, boating, and other recreational and commercial uses reduced the use of shallow-water habitats by waterfowl. Humans can lessen the adverse influences on the valuable shallow-water habitats by restricting human population growth near these habitats and improving the water quality of the bay tributaries. Other affirmative actions that will improve these areas for waterfowl include greater

  17. Identification of dimethoate-containing water using partitioned dispersive liquid-liquid microextraction coupled with near-infrared spectroscopy.

    PubMed

    Zhang, Ming; Geng, Ying; Xiang, Bingren

    2011-01-01

    A simple, rapid and efficient extraction procedure, partitioned dispersive liquid-liquid microextraction, has been developed in combination with near-infrared spectroscopy for the extraction and discrimination of dimethoate from aqueous samples. For this technique, the appropriate mixture of extraction solvent (CCl(4)) and disperser solvent (THF) was utilized. Partial least squares discriminant analysis was applied to build the model with several pre-process methods over the wavenumber regions between 7100 cm(-1) to 7300 cm(-1). The best model gave satisfactory classification accuracy, 98.6% for calibration set (n=74) and 97.6% for prediction set (n=42), using preprocessing of standard normal variate followed by Savitzky-Golay first derivative. The method was successfully applied to bottled water, tap water, lake water and farm water samples. The results demonstrated the possibility of near-infrared spectroscopy after partitioned dispersive liquid-liquid microextraction for the identification of water contaminated by dimethoate.

  18. The Boson peak in confined water: An experimental investigation of the liquid-liquid phase transition hypothesis

    NASA Astrophysics Data System (ADS)

    Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; Wang, Zhe; Chen, Sow-Hsin

    2015-10-01

    The Boson peak (BP) of deeply cooled confined water is studied by using inelastic neutron scattering (INS) in a large interval of the ( P, T) phase plane. By taking into account the different behavior of such a collective vibrational mode in both strong and fragile glasses as well as in glass-forming materials, we were able to determine the Widom line that characterizes supercooled bulk water within the frame of the liquid-liquid phase transition (LLPT) hypothesis. The peak frequency and width of the BP correlated with the water polymorphism of the LLPT scenario, allowing us to distinguish the "low-density liquid" (LDL) and "high-density liquid" (HDL) phases in deeply cooled bulk water.Moreover, the BP properties afford a further confirmation of theWidom line temperature T W as the ( P, T) locus in which the local structure of water transforms from a predominately LDL form to a predominately HDL form.

  19. Water-based scintillators for large-scale liquid calorimetry

    SciTech Connect

    Winn, D.R.; Raftery, D.

    1985-02-01

    We have investigated primary and secondary solvent intermediates in search of a recipe to create a bulk liquid scintillator with water as the bulk solvent and common fluors as the solutes. As we are not concerned with energy resolution below 1 MeV in large-scale experiments, light-output at the 10% level of high-quality organic solvent based scintillators is acceptable. We have found encouraging performance from industrial surfactants as primary solvents for PPO and POPOP. This technique may allow economical and environmentally safe bulk scintillator for kiloton-sized high energy calorimetry.

  20. The structural origin of anomalous properties of liquid water

    PubMed Central

    Nilsson, Anders; Pettersson, Lars G. M.

    2015-01-01

    Water is unique in its number of unusual, often called anomalous, properties. When hot it is a normal simple liquid; however, close to ambient temperatures properties, such as the compressibility, begin to deviate and do so increasingly on further cooling. Clearly, these emerging properties are connected to its ability to form up to four well-defined hydrogen bonds allowing for different local structural arrangements. A wealth of new data from various experiments and simulations has recently become available. When taken together they point to a heterogeneous picture with fluctuations between two classes of local structural environments developing on temperature-dependent length scales. PMID:26643439

  1. Radar and the Detection of Liquid Water on Mars

    NASA Technical Reports Server (NTRS)

    Roth, L. E.; Saunders, R. S.

    1985-01-01

    Detection of the seasonally variable radar reflectivity in the Goldstone Mars data (the Solis Lacus radar anomaly and the proposed interpretation in terms of the near-surface presence of liquid water created a controversy in the planetary science community. Over the past year, skepticism was voiced about the reality of the phenomenon of a seasonally variable radar reflectivity anywhere on Mars. The necessary background information and the pertinent data are reviewed in a format perhaps more convincing than that employed in the original presentation of the discovery. A summary of the results and recommendations for future work are included.

  2. Variability of invertebrate abundance in drinking water distribution systems in the Netherlands in relation to biostability and sediment volumes.

    PubMed

    van Lieverloo, J Hein M; Hoogenboezem, Wim; Veenendaal, Gerrit; van der Kooij, Dick

    2012-10-15

    A survey of invertebrates in drinking water from treatment works, internal taps and hydrants on mains was carried out by almost all water companies in the Netherlands from September 1993 to August 1995. Aquatic sow bugs (Asellidae, 1-12 mm) and oligochaeta worms (Oligochaeta, 1-100 mm), both known to have caused rare though embarrassing consumer complaints, were found to form 98% of the mean biomass in water flushed from mains. Their numbers in the mains water ranged up to 1500 (mean 37) Asellidae m(-3) and up to 9900 (mean 135) Oligochaeta m(-3). Smaller crustaceans (0.5-2 mm) dominated the numbers in water from mains. e.g. water fleas (Cladocera and Copepoda up to 14,000 m(-3)). Common invertebrates in treated water and in tap water were Rotifera (<1 mm) and nematode worms (Nematoda, <2 mm). No Asellidae, large Oligochaeta (>5 mm) or other large invertebrates were found in 1560 samples of 200 l treated water or tap water. Large variations in invertebrate abundance were found within and between distribution systems. Of the variability of mean biomass in mains per system, 55%, 60% and 63% could statistically be explained by differences in the Biofilm Formation Rate, non-particulate organic matter and the permanganate index of the treated water of the treatment works respectively. A similar correlation was found between mean invertebrate biomass and mean sediment volumes in the distribution systems (R(2) = 52%).

  3. Gas and liquid measurements in air-water bubbly flows

    SciTech Connect

    Zhou, X.; Doup, B.; Sun, X.

    2012-07-01

    Local measurements of gas- and liquid-phase flow parameters are conducted in an air-water two-phase flow loop. The test section is a vertical pipe with an inner diameter of 50 mm and a height of 3.2 m. The measurements are performed at z/D = 10. The gas-phase measurements are performed using a four-sensor conductivity probe. The data taken from this probe are processed using a signal processing program to yield radial profiles of the void fraction, bubble velocity, and interfacial area concentration. The velocity measurements of the liquid-phase are performed using a state-of-the-art Particle Image Velocimetry (PIV) system. The raw PIV images are acquired using fluorescent particles and an optical filtration device. Image processing is used to remove noise in the raw PIV images. The statistical cross correlation is introduced to determine the axial velocity field and turbulence intensity of the liquid-phase. Measurements are currently being performed at z/D = 32 to provide a more complete data set. These data can be used for computational fluid dynamic model development and validation. (authors)

  4. Determination of organic compounds in water using dispersive liquid-liquid microextraction.

    PubMed

    Rezaee, Mohammad; Assadi, Yaghoub; Milani Hosseini, Mohammad-Reza; Aghaee, Elham; Ahmadi, Fardin; Berijani, Sana

    2006-05-26

    A new microextraction technique termed dispersive liquid-liquid microextraction (DLLME) was developed. DLLME is a very simple and rapid method for extraction and preconcentration of organic compounds from water samples. In this method, the appropriate mixture of extraction solvent (8.0 microL C2Cl4) and disperser solvent (1.00 mL acetone) are injected into the aqueous sample (5.00 mL) by syringe, rapidly. Therefore, cloudy solution is formed. In fact, it is consisted of fine particles of extraction solvent which is dispersed entirely into aqueous phase. After centrifuging, the fine particles of extraction solvent are sedimented in the bottom of the conical test tube (5.0 +/- 0.2 microL). The performance of DLLME is illustrated with the determination of polycyclic aromatic hydrocarbons (PAHs) in water samples by using gas chromatography-flame ionization detection (GC-FID). Some important parameters, such as kind of extraction and disperser solvent and volume of them, and extraction time were investigated. Under the optimum conditions the enrichment factor ranged from 603 to 1113 and the recovery ranged from 60.3 to 111.3%. The linear range was 0.02-200 microg/L (four orders of magnitude) and limit of detection was 0.007-0.030 microg/L for most of analytes. The relative standard deviations (RSDs) for 2 microg/L of PAHs in water by using internal standard were in the range 1.4-10.2% (n = 5). The recoveries of PAHs from surface water at spiking level of 5.0 microg/L were 82.0-111.0%. The ability of DLLME technique in the extraction of other organic compounds such as organochlorine pesticides, organophosphorus pesticides and substituted benzene compounds (benzene, toluene, ethyl benzene, and xylenes) from water samples were studied. The advantages of DLLME method are simplicity of operation, rapidity, low cost, high recovery, and enrichment factor.

  5. On the implications of aerosol liquid water and phase separation for organic aerosol mass

    EPA Science Inventory

    Organic compounds and liquid water are major aerosol constituents in the southeast United States (SE US). Water associated with inorganic constituents (inorganic water) can contribute to the partitioning medium for organic aerosol when relative humidities or organic matter to org...

  6. Innovative Strategy on Hydrogen Evolution Reaction Utilizing Activated Liquid Water

    PubMed Central

    Hwang, Bing-Joe; Chen, Hsiao-Chien; Mai, Fu-Der; Tsai, Hui-Yen; Yang, Chih-Ping; Rick, John; Liu, Yu-Chuan

    2015-01-01

    Splitting water for hydrogen production using light, or electrical energy, is the most developed ‘green technique’. For increasing efficiency in hydrogen production, currently, the most exciting and thriving strategies are focused on efficient and inexpensive catalysts. Here, we report an innovative idea for efficient hydrogen evolution reaction (HER) utilizing plasmon-activated liquid water with reduced hydrogen-bonded structure by hot electron transfer. This strategy is effective for all HERs in acidic, basic and neutral systems, photocatalytic system with a g-C3N4 (graphite carbon nitride) electrode, as well as in an inert system with an ITO (indium tin oxide) electrode. Compared to deionized water, the efficiency of HER increases by 48% based on activated water ex situ on a Pt electrode. Increase in energy efficiency from activated water is 18% at a specific current yield of −20 mA in situ on a nanoscale-granulated Au electrode. Moreover, the onset potential of −0.023 V vs RHE was very close to the thermodynamic potential of the HER (0 V). The measured current density at the corresponding overpotential for HER in an acidic system was higher than any data previously reported in the literature. This approach establishes a new vista in clean green energy production. PMID:26541371

  7. Innovative Strategy on Hydrogen Evolution Reaction Utilizing Activated Liquid Water

    NASA Astrophysics Data System (ADS)

    Hwang, Bing-Joe; Chen, Hsiao-Chien; Mai, Fu-Der; Tsai, Hui-Yen; Yang, Chih-Ping; Rick, John; Liu, Yu-Chuan

    2015-11-01

    Splitting water for hydrogen production using light, or electrical energy, is the most developed ‘green technique’. For increasing efficiency in hydrogen production, currently, the most exciting and thriving strategies are focused on efficient and inexpensive catalysts. Here, we report an innovative idea for efficient hydrogen evolution reaction (HER) utilizing plasmon-activated liquid water with reduced hydrogen-bonded structure by hot electron transfer. This strategy is effective for all HERs in acidic, basic and neutral systems, photocatalytic system with a g-C3N4 (graphite carbon nitride) electrode, as well as in an inert system with an ITO (indium tin oxide) electrode. Compared to deionized water, the efficiency of HER increases by 48% based on activated water ex situ on a Pt electrode. Increase in energy efficiency from activated water is 18% at a specific current yield of -20 mA in situ on a nanoscale-granulated Au electrode. Moreover, the onset potential of -0.023 V vs RHE was very close to the thermodynamic potential of the HER (0 V). The measured current density at the corresponding overpotential for HER in an acidic system was higher than any data previously reported in the literature. This approach establishes a new vista in clean green energy production.

  8. Metal-free transfer hydrogenation of nitroarenes in water with vasicine: revelation of organocatalytic facet of an abundant alkaloid.

    PubMed

    Sharma, Sushila; Kumar, Manoranjan; Kumar, Vishal; Kumar, Neeraj

    2014-10-03

    Vasicine, an abundantly available quinazoline alkaloid from the leaves of Adhatoda vasica, has been successfully employed for metal- and base-free reduction of nitroarenes to the corresponding anilines in water. The method is chemoselective and tolerates a wide range of reducible functional groups, such as ketones, nitriles, esters, halogens, and heterocyclic rings. Dinitroarenes reduced selectively to the corresponding nitroanilines under the present reaction conditions.

  9. Distribution of binding energies of a water molecule in the water liquid-vapor interface

    SciTech Connect

    Chempath, Shaji; Pratt, Lawrence R

    2008-01-01

    Distributions of binding energies of a water molecule in the water liquid-vapor interface are obtained on the basis of molecular simulation with the SPC/E model of water. These binding energies together with the observed interfacial density profile are used to test a minimally conditioned Gaussian quasi-chemical statistical thermodynamic theory. Binding energy distributions for water molecules in that interfacial region clearly exhibit a composite structure. A minimally conditioned Gaussian quasi-chemical model that is accurate for the free energy of bulk liquid water breaks down for water molecules in the liquid-vapor interfacial region. This breakdown is associated with the fact that this minimally conditioned Gaussian model would be inaccurate for the statistical thermodynamics of a dilute gas. Aggressive conditioning greatly improves the performance of that Gaussian quasi-chemical model. The analogy between the Gaussian quasi-chemical model and dielectric models of hydration free energies suggests that naive dielectric models without the conditioning features of quasi-chemical theory will be unreliable for these interfacial problems. Multi-Gaussian models that address the composite nature of the binding energy distributions observed in the interfacial region might provide a mechanism for correcting dielectric models for practical applications.

  10. Hot electron dominated rapid transverse ionization growth in liquid water.

    PubMed

    Brown, Michael S; Erickson, Thomas; Frische, Kyle; Roquemore, William M

    2011-06-20

    Pump/probe optical-transmission measurements are used to monitor in space and time the ionization of a liquid column of water following impact of an 800-nm, 45-fs pump pulse. The pump pulse strikes the 53-μm-diameter column normal to its axis with intensities up to 2 × 10(15) W/cm2. After the initial photoinization and for probe delay times < 500 fs, the neutral water surrounding the beam is rapidly ionized in the transverse direction, presumably by hot electrons with initial velocities of 0.55 times the speed of light (relativistic kinetic energy of ~100 keV). Such velocities are unusual for condensed-matter excitation at the stated laser intensities.

  11. ETV REPORT AND VERIFICATION STATEMENT; EVALUATION OF LOBO LIQUIDS RINSE WATER RECOVERY SYSTEM

    EPA Science Inventory

    The Lobo Liquids Rinse Water Recovery System (Lobo Liquids system) was tested, under actual production conditions, processing metal finishing wastewater, at Gull Industries in Houston, Texas. The verification test evaluated the ability of the ion exchange (IX) treatment system t...

  12. The Abundance and Isotopic Composition of Water in Howardite-Eucrite-Diogenite Meteorites

    NASA Astrophysics Data System (ADS)

    Barrett, T. J.; Tartèse, R.; Anand, M.; Franchi, I. A.; Grady, M. M.; Greenwood, R. C.; Charlier, B. L. A.

    2014-09-01

    Using SIMs techniques we measure OH abundances and D/H ratios in apatite grains from two Eucrites (DaG 945, DaG 844).The average δD values of these two samples are also similar to carbonaceous chondrites, the Earth and the Moon.

  13. Spatial and temporal variation in enterococcal abundance and its relationship to the microbial community in Hawaii beach sand and water.

    PubMed

    Cui, Henglin; Yang, Kun; Pagaling, Eulyn; Yan, Tao

    2013-06-01

    Recent studies have reported high levels of fecal indicator enterococci in marine beach sand. This study aimed to determine the spatial and temporal variation of enterococcal abundance and to evaluate its relationships with microbial community parameters in Hawaii beach sand and water. Sampling at 23 beaches on the Island of Oahu detected higher levels of enterococci in beach foreshore sand than in beach water on a mass unit basis. Subsequent 8-week consecutive samplings at two selected beaches (Waialae and Kualoa) consistently detected significantly higher levels of enterococci in backshore sand than in foreshore/nearshore sand and beach water. Comparison between the abundance of enterococci and the microbial communities showed that enterococci correlated significantly with total Vibrio in all beach zones but less significantly with total bacterial density and Escherichia coli. Samples from the different zones of Waialae beach were sequenced by 16S rRNA gene pyrosequencing to determine the microbial community structure and diversity. The backshore sand had a significantly more diverse community and contained different major bacterial populations than the other beach zones, which corresponded to the spatial distribution pattern of enterococcal abundance. Taken together, multiple lines of evidence support the possibility of enterococci as autochthonous members of the microbial community in Hawaii beach sand.

  14. Spatial and Temporal Variation in Enterococcal Abundance and Its Relationship to the Microbial Community in Hawaii Beach Sand and Water

    PubMed Central

    Cui, Henglin; Yang, Kun; Pagaling, Eulyn

    2013-01-01

    Recent studies have reported high levels of fecal indicator enterococci in marine beach sand. This study aimed to determine the spatial and temporal variation of enterococcal abundance and to evaluate its relationships with microbial community parameters in Hawaii beach sand and water. Sampling at 23 beaches on the Island of Oahu detected higher levels of enterococci in beach foreshore sand than in beach water on a mass unit basis. Subsequent 8-week consecutive samplings at two selected beaches (Waialae and Kualoa) consistently detected significantly higher levels of enterococci in backshore sand than in foreshore/nearshore sand and beach water. Comparison between the abundance of enterococci and the microbial communities showed that enterococci correlated significantly with total Vibrio in all beach zones but less significantly with total bacterial density and Escherichia coli. Samples from the different zones of Waialae beach were sequenced by 16S rRNA gene pyrosequencing to determine the microbial community structure and diversity. The backshore sand had a significantly more diverse community and contained different major bacterial populations than the other beach zones, which corresponded to the spatial distribution pattern of enterococcal abundance. Taken together, multiple lines of evidence support the possibility of enterococci as autochthonous members of the microbial community in Hawaii beach sand. PMID:23563940

  15. Spatial Mapping of Protein Abundances in the Mouse Brain by Voxelation Integrated with High-Throughput Liquid Chromatography - Mass Spectrometry

    SciTech Connect

    Petyuk, Vladislav A; Qian, Weijun; Chin, Mark H; Wang, Haixing H; Livesay, Eric A; Monroe, Matthew E; Adkins, Joshua N; Jaitly, Navdeep; Anderson, David J; Camp, David G; Smith, Desmond J; Smith, Richard D

    2007-01-25

    Temporally and spatially resolved mapping of protein abundance patterns within the mammalian brain is of significant interest for understanding brain function and molecular etiologies of neurodegenerative diseases; however, such imaging efforts have been greatly challenged by complexity of the proteome, throughput and sensitivity of applied analytical methodologies, and accurate quantitation of protein abundances across the brain. Here, we describe a methodology for comprehensive spatial proteome mapping that addresses these challenges by employing voxelation integrated with automated microscale sample processing, high-throughput LC system coupled with high resolution Fourier transform ion cyclotron mass spectrometer and a “universal” stable isotope labeled reference sample approach for robust quantitation. We applied this methodology as a proof-of-concept trial for the analysis of protein distribution within a single coronal slice of a C57BL/6J mouse brain. For relative quantitation of the protein abundances across the slice, an 18O-isotopically labeled reference sample, derived from a whole control coronal slice from another mouse, was spiked into each voxel sample and stable isotopic intensity ratios were used to obtain measures of relative protein abundances. In total, we generated maps of protein abundance patterns for 1,028 proteins. The significant agreement of the protein distributions with previously reported data supports the validity of this methodology, which opens new opportunities for studying the spatial brain proteome and its dynamics during the course of disease progression and other important biological and associated health aspects in a discovery-driven fashion.

  16. Rapid determination of octanol-water partition coefficient using vortex-assisted liquid-liquid microextraction.

    PubMed

    Román, Iván P; Mastromichali, Anna; Tyrovola, Konstantina; Canals, Antonio; Psillakis, Elefteria

    2014-02-21

    Vortex-assisted liquid-liquid microextraction (VALLME) coupled with high-performance liquid chromatography (HPLC) is proposed here for the rapid determination of octanol-water partitioning coefficients (Kow). VALLME uses vortex agitation, a mild emulsification procedure, to disperse microvolumes of octanol in the aqueous phase thus increasing the interfacial contact area and ensuring faster partitioning rates. With VALLME, 2min were enough to achieve equilibrium conditions between the octanolic and aqueous phases. Upon equilibration, separation was achieved using centrifugation and the octanolic microdrop was collected and analyzed in a HPLC system. Six model compounds with logKow values ranging between ∼0.5 and 3.5 were used during the present investigations. The proposed method produced logKow values that were consistent with previously published values and the recorded uncertainty was well within the acceptable log unit range. Overall, the key features of the proposed Kow determination procedure comprised speed, reliability, simplicity, low cost and minimal solvent consumption.

  17. Response functions near the liquid-liquid critical point of ST2 water

    NASA Astrophysics Data System (ADS)

    Lascaris, Erik; Kesselring, T. A.; Franzese, G.; Buldyrev, S. V.; Herrmann, H. J.; Stanley, H. E.

    2013-02-01

    We simulate the ST2 water model for time periods up to 1000 ns, and for four different system sizes, N = 63, 73, 83, and 93. We locate the liquid-liquid phase transition line and its critical point in the supercooled region. Near the liquidliquid phase transition line, we observe that the system continuously flips between the low-density and high-density liquid phases. We analyze the transition line further by calculating two thermodynamic response functions, the isobaric specific heat capacity CP and the isothermal compressibility KT. We use two different methods: (i) from fluctuations and (ii) with the relevant thermodynamic derivative. We find that, within the accuracy of our simulations, the maxima of two different response functions occur at the same temperatures. The lines of CP and KT maxima below the critical pressure approximate the Widom line which is continuous with the line of first-order transitions in the two-phase region where we observe the phase flipping.

  18. Analysis of free amino acids in natural waters by liquid chromatography-tandem mass spectrometry.

    PubMed

    How, Zuo Tong; Busetti, Francesco; Linge, Kathryn L; Kristiana, Ina; Joll, Cynthia A; Charrois, Jeffrey W A

    2014-11-28

    This paper reports a new analytical method for the analysis of 18 amino acids in natural waters using solid-phase extraction (SPE) followed by liquid chromatography-electrospray tandem mass spectrometry (LC-MS/MS) operated in multiple reaction monitoring mode. Two different preconcentration methods, solid-phase extraction and concentration under reduced pressure, were tested in development of this method. Although concentration under reduced pressure provided better recoveries and method limits of detection for amino acids in ultrapure water, SPE was a more suitable extraction method for real samples due to the lower matrix effects for this method. Even though the strong cation exchange resin used in SPE method introduced exogenous matrix interferences into the sample extracts (inorganic salt originating from the acid-base reaction during the elution step), the SPE method still incorporates a broad sample clean-up and minimised endogenous matrix effects by reducing interferences originating from real water samples. The method limits of quantification (MLQ) for the SPE LC-MS/MS method in ultrapure water ranged from 0.1 to 100 μg L(-1) as N for the different amino acids. The MLQs of the early eluting amino acids were limited by the presence of matrix interfering species, such as inorganic salts in natural water samples. The SPE LC-MS/MS method was successfully applied to the analysis of amino acids in 3 different drinking water source waters: the average total free amino acid content in these waters was found to be 19 μg L(-1) as N, while among the 18 amino acids analysed, the most abundant amino acids were found to be tyrosine, leucine and isoleucine.

  19. Ionic liquid-based ultrasound-assisted dispersive liquid-liquid microextraction followed high-performance liquid chromatography for the determination of ultraviolet filters in environmental water samples.

    PubMed

    Zhang, Yufeng; Lee, Hian Kee

    2012-10-31

    In the present study, a rapid, highly efficient and environmentally friendly sample preparation method named ionic liquid-based ultrasound-assisted dispersive liquid-liquid microextraction (IL-USA-DLLME), followed by high performance liquid chromatography (HPLC) has been developed for the extraction and preconcentration of four benzophenone-type ultraviolet (UV) filters (viz. benzophenone (BP), 2-hydroxy-4-methoxybenzophenone (BP-3), ethylhexyl salicylate (EHS) and homosalate (HMS)) from three different water matrices. The procedure was based on a ternary solvent system containing tiny droplets of ionic liquid (IL) in the sample solution formed by dissolving an appropriate amount of the IL extraction solvent 1-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([HMIM][FAP]) in a small amount of water-miscible dispersive solvent (methanol). An ultrasound-assisted process was applied to accelerate the formation of the fine cloudy solution, which markedly increased the extraction efficiency and reduced the equilibrium time. Various parameters that affected the extraction efficiency (such as type and volume of extraction and dispersive solvents, ionic strength, pH and extraction time) were evaluated. Under optimal conditions, the proposed method provided good enrichment factors in the range of 354-464, and good repeatability of the extractions (RSDs below 6.3%, n=5). The limits of detection were in the range of 0.2-5.0 ng mL(-1), depending on the analytes. The linearities were between 1 and 500 ng mL(-1) for BP, 5 and 500 ng mL(-1) for BP-3 and HMS and 10 and 500 ng mL(-1) for EHS. Finally, the proposed method was successfully applied to the determination of UV filters in river, swimming pool and tap water samples and acceptable relative recoveries over the range of 71.0-118.0% were obtained.

  20. Predicting cyanobacterial abundance, microcystin, and geosmin in a eutrophic drinking-water reservoir using a 14-year dataset

    USGS Publications Warehouse

    Harris, Ted D.; Graham, Jennifer

    2017-01-01

    Cyanobacterial blooms degrade water quality in drinking water supply reservoirs by producing toxic and taste-and-odor causing secondary metabolites, which ultimately cause public health concerns and lead to increased treatment costs for water utilities. There have been numerous attempts to create models that predict cyanobacteria and their secondary metabolites, most using linear models; however, linear models are limited by assumptions about the data and have had limited success as predictive tools. Thus, lake and reservoir managers need improved modeling techniques that can accurately predict large bloom events that have the highest impact on recreational activities and drinking-water treatment processes. In this study, we compared 12 unique linear and nonlinear regression modeling techniques to predict cyanobacterial abundance and the cyanobacterial secondary metabolites microcystin and geosmin using 14 years of physiochemical water quality data collected from Cheney Reservoir, Kansas. Support vector machine (SVM), random forest (RF), boosted tree (BT), and Cubist modeling techniques were the most predictive of the compared modeling approaches. SVM, RF, and BT modeling techniques were able to successfully predict cyanobacterial abundance, microcystin, and geosmin concentrations <60,000 cells/mL, 2.5 µg/L, and 20 ng/L, respectively. Only Cubist modeling predicted maxima concentrations of cyanobacteria and geosmin; no modeling technique was able to predict maxima microcystin concentrations. Because maxima concentrations are a primary concern for lake and reservoir managers, Cubist modeling may help predict the largest and most noxious concentrations of cyanobacteria and their secondary metabolites.

  1. IR spectra of water droplets in no man's land and the location of the liquid-liquid critical point.

    PubMed

    Ni, Yicun; Skinner, J L

    2016-09-28

    No man's land is the region in the metastable phase diagram of water where it is very difficult to do experiments on liquid water because of homogeneous nucleation to the crystal. There are a number of estimates of the location in no man's land of the liquid-liquid critical point, if it exists. We suggest that published IR absorption experiments on water droplets in no man's land can provide information about the correct location. To this end, we calculate theoretical IR spectra for liquid water over a wide range of temperatures and pressures, using our E3B3 model, and use the results to argue that the temperature dependence of the experimental spectra is inconsistent with several of the estimated critical point locations, but consistent with others.

  2. Quantitation of antioxidants in water samples using ionic liquid dispersive liquid-liquid microextraction followed by high-performance liquid chromatography-ultraviolet detection.

    PubMed

    Sobhi, Hamid Reza; Kashtiaray, Amir; Farahani, Hadi; Farahani, Mohammad Reza

    2011-01-01

    A simple and efficient method, ionic liquid-based dispersive liquid-liquid microextraction combined with high-performance liquid chromatography-ultraviolet detection (HPLC-UV), has been applied for the extraction and determination of some antioxidants (Irganox 1010, Irganox 1076 and Irgafos 168) in water samples. The microextraction efficiency factors were investigated and optimized: 1-hexyl-3-methylimidazolium hexafluorophosphate [C(6)MIM][PF(6)] (0.06 g) as extracting solvent, methanol (0.5 mL) as disperser solvent without salt addition. Under the selected conditions, enrichment factors up to 48-fold, limits of detection (LODs) of 5.0-10.0 ng/mL and dynamic linear ranges of 25-1500 ng/mL were obtained. A reasonable repeatability (RSD≤11.8%, n=5) with satisfactory linearity (r(2)≥0.9954) of the results illustrated a good performance of the presented method. The accuracy of the method was tested by the relative recovery experiments on spiked samples, with results ranging from 85 to 118%. Finally, the method was successfully applied for determination of the analytes in several real water samples.

  3. Relationships among epipelic diatom taxa, bacterial abundances and water quality in a highly polluted stream catchment, bursa -- Turkey.

    PubMed

    Dere, Sükran; Dalkiran, Nurhayat; Karacaoğlu, Didem; Elmaci, Ayşe; Dülger, Başaran; Sentürk, Engin

    2006-01-01

    Nilüfer Stream is an important water source in the industrial and metropolitan city of Bursa, Turkey. The stream catchment has been influenced by high human impact. The downstream receives sewage water from households and industry, whereas the headwater of the stream has a source of high-quality drinkable water. In this paper, abundances of epipelic diatom taxa, faecal coliforms (FC), total coliforms (TC) and total bacteria (TB) were studied in relation to measured environmental variables (T, pH, DO, BOD(5), EC, TDS) for the period July 1997 to June 1998 at six stations in the heavily polluted Nilüfer Stream catchment. It is observed that the physicochemical variables and bacterial abundances varied seasonally at all stations, and the level of pollution reached at its highest point in the summer. The results of Kruskal-Wallis and one-way ANOVA indicated that DO gradually decreased, whereas BOD(5), EC, TDS, TB, FC and TC gradually increased from upstream to downstream. The ordination method of Principal Component Analysis (PCA) was carried out for both biologic and physicochemical variables, and the results were supported by the former statistical procedures. The frequency of occurrence of dominant diatoms was examined in relation to the spatial variations in chemical constituents. Both diatoms and bacteria showed strong correlations with the measured physicochemical variables. In Canonical Correlation Analysis (CANCORR) measures of bacterial abundances also displayed strong correlations with abundances of 11 diatom taxa. The results showed that the stream catchment is polluted gradually from upstream to downstream. In addition, pollution load in the stream catchment has been gradually increased, compared with recent years. Urbanisation and industrialisation of the city have affected increasing pollution in Nilüfer Stream. The results also indicated that diatoms are not affected by environmental variables such as bacteria. Bacteria are more sensitive to organic

  4. Rates of Dinitrogen Fixation and the Abundance of Diazotrophs in North American Coastal Waters Between Cape Hatteras and Georges Bank

    NASA Technical Reports Server (NTRS)

    Mulholland, M.R.; Bernhardt, P. W.; Blanco-Garcia, J. L.; Mannino, A.; Hyde, K.; Mondragon, E.; Turk, K.; Moisander, P. H.; Zehr, J. P.

    2012-01-01

    We coupled dinitrogen (N2) fixation rate estimates with molecular biological methods to determine the activity and abundance of diazotrophs in coastal waters along the temperate North American Mid-Atlantic continental shelf during multiple seasons and cruises. Volumetric rates of N2 fixation were as high as 49.8 nmol N L(sup -1) d(sup -1) and areal rates as high as 837.9 micromol N m(sup -2) d(sup -1) in our study area. Our results suggest that N2 fixation occurs at high rates in coastal shelf waters that were previously thought to be unimportant sites of N2 fixation and so were excluded from calculations of pelagic marine N2 fixation. Unicellular N2-fixing group A cyanobacteria were the most abundant diazotrophs in the Atlantic coastal waters and their abundance was comparable to, or higher than, that measured in oceanic regimes where they were discovered. High rates of N2 fixation and the high abundance of diazotrophs along the North American Mid-Atlantic continental shelf highlight the need to revise marine N budgets to include coastal N2 fixation. Integrating areal rates of N2 fixation over the continental shelf area between Cape Hatteras and Nova Scotia, the estimated N2 fixation in this temperate shelf system is about 0.02 Tmol N yr(sup -1), the amount previously calculated for the entire North Atlantic continental shelf. Additional studies should provide spatially, temporally, and seasonally resolved rate estimates from coastal systems to better constrain N inputs via N2 fixation from the neritic zone.

  5. Historic and modern abundance of wild lean lake trout in Michigan waters of Lake Superior: Implications for restoration goals

    USGS Publications Warehouse

    Wilberg, Michael J.; Hansen, Michael J.; Bronte, Charles R.

    2003-01-01

    Populations of lake trout Salvelinus namaycush in Lake Superior collapsed in the late 1950s due to overfishing and predation by sea lampreys Petromyzon marinus. A binational effort to restore the lean morphotype of lake trout began with the stocking of hatchery-reared fish followed by the chemical control of sea lampreys and closure of the commercial fishery. Previous comparisons of the contemporary abundance of wild lean lake trout with that from historic commercial fishery statistics indicate that abundance was higher historically. However, this conclusion may be biased because several factors—the inclusion of siscowet (the “fat” morphotype of lake trout) in the catch statistics, the soak time of nets, seasonal effects on catch per effort, and the confounding effects of effort targeted at lake whitefish Coregonus clupeaformis—were not accounted for. We developed new indices of historic lean lake trout abundance that correct for these biases and compared them with the assessment data from 1984 to 1998 in Michigan waters of Lake Superior. The modern (1984–1998) abundance of wild lean lake trout is at least as high as that during 1929–1943 in six of eight management areas but lower in one area. Measures to promote and protect naturally reproducing populations have been more successful than previously realized.

  6. Ionic liquid-based dispersive liquid-liquid microextraction followed high-performance liquid chromatography for the determination of organophosphorus pesticides in water sample.

    PubMed

    He, Lijun; Luo, Xianli; Xie, Hongxue; Wang, Chunjian; Jiang, Xiuming; Lu, Kui

    2009-11-23

    Using 1-octyl-3-methylimidazolium hexafluorophosphate ([C(8)MIM][PF(6)]) ionic liquid as extraction solvent, organophosphorus pesticides (OPPs) (parathion, phoxim, phorate and chlorpyifos) in water were determined by dispersive liquid-liquid microextraction (DLLME) combined with high-performance liquid chromatography (HPLC). The extraction procedure was induced by the formation of cloudy solution, which was composed of fine drops of [C(8)MIM][PF(6)] dispersed entirely into sample solution with the help of disperser solvent (methanol). Parameters including extraction solvent and its volume, disperser solvent and its volume, extraction time, centrifugal time, salt addition, extraction temperature and sample pH were investigated and optimized. Under the optimized conditions, up to 200-fold enrichment factor of analytes and acceptable extraction recovery (>70%) were obtained. The calibration curves were linear in the concentration range of 10.5-1045.0 microg L(-1) for parathion, 10.2-1020.0 microg L(-1) for phoxim, 54.5-1089.0 microg L(-1) for phorate and 27.2-1089.0 microg L(-1) for chlorpyifos, respectively. The limits of detection calculated at a signal-to-noise ratio of 3 were in the range of 0.1-5.0 microg L(-1). The relative standard deviations for seven replicate experiments at 200 microg L(-1) concentration level were less than 4.7%. The proposed method was applied to the analysis of four different sources water samples (tap, well, rain and Yellow River water) and the relative recoveries of spiked water samples are 99.9-115.4%, 101.8-113.7% and 87.3-117.6% at three different concentration levels of 75, 200 and 1000 microg L(-1), respectively.

  7. Relationship between optical extinction and liquid water content in fogs

    NASA Astrophysics Data System (ADS)

    Klein, C.; Dabas, A.

    2014-05-01

    Studies carried out in the late 1970s suggest that a simple linear relationship exists in practice between the optical extinction in the thermal IR and the liquid water content (LWC) in fogs. Such a relationship opens the possibility to monitor the vertical profile of the LWC in fogs with a rather simple backscatter lidar. Little is known on how the LWC varies as a function of height and during the fog life cycle, so the new measurement technique would help understand fog physics and provide valuable data for improving the quality of fog forecasts. In this paper, the validity of the linear relationship is revisited in the light of recent observations of fog droplet size distributions measured with a combination of sensors covering a large range of droplet radii. In particular, large droplets (radius above 15 μm) are now detected, which was not the case in the late 1970s. The results confirm that the linear relationship still holds, at least for the mostly radiative fogs observed during the campaign. The impact of the precise value of the real and imaginary parts of the refractive index on the coefficient of the linear relationship is also studied. The usual practice considers that droplets are made of pure water. This assumption is probably valid for big drops, but it may be questioned for small ones since droplets are formed from condensation nuclei of highly variable chemical composition. The study suggests that the precise nature of condensation nuclei will primarily affect rather light fogs with small droplets and light liquid water contents.

  8. The Influence of Heavy Metals and Water Parameters on the Composition and Abundance of Water Bugs (Insecta: Hemiptera) in the Kerian River Basin, Perak, Malaysia

    PubMed Central

    Ishadi, Nur Adibah Mohd; Rawi, Che Salmah Md; Ahmad, Abu Hassan; Abdul, Nurul Huda

    2014-01-01

    The hemipteran (Insecta) diversity in the upper part of the Kerian River Basin was low with only 8 families and 16 genera recorded at 4 study sites from 3 rivers. Water bug composition varied among sampling sites (Kruskal-Wallis χ 2 = 0.00, p<0.05) but was not affected by wet-dry seasons (Z = 0.00, p>0.05). All recorded water parameters were weakly associated with generic abundance but the biochemical oxygen demand (BOD), chemical oxygen demand (COD), Water Quality Index (WQI) and heavy metals (zinc and manganese) showed relatively strong positive or negative relations with hemipteran diversity and richness (H’ and R2). Within the ranges of measured water parameters, the WQI was negatively associated with hemipteran diversity and richness, implying the tolerance of the water bugs to the level of pollution encountered in the river basin. Based on its highest abundance and occurrence (ISI), Rhagovelia was the most important genus and along with Rheumatogonus and Paraplea, these genera were common at all study sites. In conclusion, habitat availability and suitability together with some environmental parameters influenced the abundance and composition of hemipterans in this river basin. PMID:27073600

  9. The Influence of Heavy Metals and Water Parameters on the Composition and Abundance of Water Bugs (Insecta: Hemiptera) in the Kerian River Basin, Perak, Malaysia.

    PubMed

    Ishadi, Nur Adibah Mohd; Rawi, Che Salmah Md; Ahmad, Abu Hassan; Abdul, Nurul Huda

    2014-12-01

    The hemipteran (Insecta) diversity in the upper part of the Kerian River Basin was low with only 8 families and 16 genera recorded at 4 study sites from 3 rivers. Water bug composition varied among sampling sites (Kruskal-Wallis χ (2) = 0.00, p<0.05) but was not affected by wet-dry seasons (Z = 0.00, p>0.05). All recorded water parameters were weakly associated with generic abundance but the biochemical oxygen demand (BOD), chemical oxygen demand (COD), Water Quality Index (WQI) and heavy metals (zinc and manganese) showed relatively strong positive or negative relations with hemipteran diversity and richness (H' and R2). Within the ranges of measured water parameters, the WQI was negatively associated with hemipteran diversity and richness, implying the tolerance of the water bugs to the level of pollution encountered in the river basin. Based on its highest abundance and occurrence (ISI), Rhagovelia was the most important genus and along with Rheumatogonus and Paraplea, these genera were common at all study sites. In conclusion, habitat availability and suitability together with some environmental parameters influenced the abundance and composition of hemipterans in this river basin.

  10. Ionic liquids for improving the extraction of NSAIDs in water samples using dispersive liquid-liquid microextraction by high performance liquid chromatography-diode array-fluorescence detection.

    PubMed

    Toledo-Neira, Carla; Álvarez-Lueje, Alejandro

    2015-03-01

    A rapid, sensitive and efficient analytical method based on the use of ionic liquids for determination of non-steroidal anti-inflammatory drugs (NSAIDs) in water samples was developed. High-performance liquid chromatography equipped with a diode array and fluorescence detector was used for quantification of ketoprofen, ibuprofen and diclofenac in tap and river water samples. This new method relies on the use of two ionic liquids with multiple functionalities: one functions as an extraction solvent (1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]), and the other changes the polarity in the aqueous medium (1-butyl-3-methylimidazolium tetrafluoroborate, ([BMIM][BF4]). Factors such as the type and volume of the ILs and dispersive solvent, sample volume, and centrifugation time were investigated and optimized. The optimized method exhibited good precision, with relative standard deviation values between 2% and 3%, for the three NSAIDs. Limits of detection achieved for all of the analytes were between 17 and 95 ng mL(-1), and the recoveries ranged from 89% to 103%. Furthermore, the enrichment factors ranged from 49 to 57. The proposed method was successfully applied to the analysis of NSAIDs in tap and river water samples.

  11. Simulated liquid water and visibility in stratiform boundary-layer clouds over sloping terrain

    SciTech Connect

    Tjernstroem, M. )

    1993-04-01

    The amount of liquid water in stratus clouds or fog is discussed from the point of view of estimating visibility variations in areas with complex terrain. The average vertical profile of liquid water from numerical simulations with a higher-order closure mesoscale model is examined, and runs with the model for moderately complex terrain are utilized to estimate the of low-level liquid water content variability and thus, indirectly, the variations in horizontal visibility along a slope. 37 refs., 11 figs.

  12. Water content and activity in model felsic liquids at 1 GPa

    NASA Astrophysics Data System (ADS)

    Manning, C. E.; Makhluf, A. R.; Newton, R. C.

    2015-12-01

    .63 in albite and simple granite liquids, respectively. High water activity is consistent with abundant molecular H2O in the liquids and is necessary for critical mixing in melt-H2O systems. Our results provide a quantitative basis for understanding the chemical effects of water dissolution in felsic liquids during crustal melting.

  13. Influence of liquid water and water vapor on antimisting kerosene (AMK)

    NASA Technical Reports Server (NTRS)

    Yavrouian, A. H.; Sarolouki, M.; Sarohia, V.

    1983-01-01

    Experiments have been performed to evaluate the compatibility of liquid water and water vapor with antimisting kerosenes (AMK) containing polymer additive FM-9 developed by Imperial Chemical Industries. This effort consists of the determination of water solubility in AMK, influence of water on restoration (degradation) of AMK, and effect of water on standard AMK quality control methods. The principal conclusions of this investigation are: (1) the uptake of water in AMK critically depends upon the degree of agitation and can be as high as 1300 ppm at 20 C, (2) more than 250 to 300 ppm of water in AMK causes an insoluble second phase to form. The amount of this second phase depends on fuel temperature, agitation, degree of restoration (degradation) and the water content of the fuel, (3) laboratory scale experiments indicate precipitate formation when water vapor comes in contact with cold fuel surfaces at a much lower level of water (125 to 150 ppm), (4) precipitate formation is very pronounced in these experiments where humid air is percolated through a cold fuel (-20 C), (5) laboratory tests further indicate that water droplet settling time is markedly reduced in AMK as compared to jet A, (6) limited low temperature testing down to -30 C under laboratory conditions indicates the formation of stable, transparent gels.

  14. Use of spacecraft data to derive regions on Mars where liquid water would be stable

    PubMed Central

    Lobitz, Brad; Wood, Byron L.; Averner, Maurice M.; McKay, Christopher P.

    2001-01-01

    Combining Viking pressure and temperature data with Mars Orbital Laser Altimeter topography data, we have computed the fraction of the martian year during which pressure and temperature allow for liquid water to be stable on the martian surface. We find that liquid water would be stable within the Hellas and Argyre basin and over the northern lowlands equatorward of about 40°. The location with the maximum period of stable conditions for liquid water is in the southeastern portion of Utopia Planitia, where 34% of the year liquid water would be stable if it were present. Locations of stability appear to correlate with the distribution of valley networks. PMID:11226204

  15. Use of Spacecraft Data to Drive Regions on Mars where Liquid Water would be Stable

    NASA Technical Reports Server (NTRS)

    Lobitz, Brad; Wood, Byron L.; Averner, Maurice M.; McKay, Christopher P.; MacElroy, Robert D.

    2001-01-01

    Combining Viking pressure and temperature data with Mars Orbital Laser Altimeter (MOLA) topography data we have computed the fraction of the martian year during which pressure and temperature allow for liquid water to be stable on the martian surface. We find that liquid water would be stable within the Hellas and Argyre basin and over the northern lowlands equatorward of about 40 degrees. The location with the maximum period of stable conditions for liquid water is in the southeastern portion of Utopia Planitia where 34% of the year liquid water would be stable if it was present. Locations of stability appear to correlate with the distribution of valley networks.

  16. The oxygen isotope partition function ratio of water and the structure of liquid water

    USGS Publications Warehouse

    O'Neil, J.R.; Adami, L.H.

    1969-01-01

    By means of the CO2-equilibration technique, the temperature dependence and absolute values of the oxygen isotope partition function ratio of liquid water have been determined, often at 1?? intervals, from -2 to 85??. A linear relationship between In (Q2/Q1) (H2O) and T-1 was obtained that is explicable in terms of the Bigeleisen-Mayer theory of isotopic fractionation. The data are incompatible with conventional, multicomponent mixture models of water because liquid water behaves isotopically as a singly structured homogeneous substance over the entire temperature range studied. A two-species model of water is proposed in which approximately 30% of the hydrogen bonds in ice are broken on melting at 0?? and in which this per cent of monomer changes by only a small amount over the entire liquid range. Because of the high precision and the fundamental property determined, the isotopic fractionation technique is particularly well suited to the detection of thermal anomalies. No anomalies were observed and those previously reported are ascribed to under-estimates of experimental error.

  17. Detachment of Liquid-Water Droplets from Gas-Diffusion Layers

    SciTech Connect

    Das, Prodip K.; Grippin, Adam; Weber, Adam Z.

    2011-07-01

    A critical issue for optimal water management in proton-exchange-membrane fuel cells at lower temperatures is the removal of liquid water from the cell. This pathway is intimately linked with the phenomena of liquid-water droplet removal from surface of the gas-diffusion layer and into the flow channel. Thus, a good understanding of liquid-water transport and droplet growth and detachment from the gas-diffusion layer is critical. In this study, liquid-water droplet growth and detachment on the gas-diffusion layer surfaces are investigated experimentally to improve the understating of water transport through and removal from gas-diffusion layers. An experiment using a sliding-angle measurement is designed and used to quantify and directly measure the adhesion force for liquid-water droplets, and to understand the droplets? growth and detachment from the gas-diffusion layers.

  18. Abundance, species composition of microzooplankton from the coastal waters of Port Blair, South Andaman Island

    PubMed Central

    2012-01-01

    Background Microzooplankton consisting of protists and metazoa <200 μm. It displays unique feeding mechanisms and behaviours that allow them to graze cells up to five times their own volume. They can grow at rates which equal or exceed prey growth and can serve as a viable food source for metazoans. Moreover, they are individually inconspicuous, their recognition as significant consumers of oceanic primary production. The microzooplankton can be the dominant consumers of phytoplankton production in both oligo- and eutrophic regions of the ocean and are capable of consuming >100% of primary production. Results The microzooplankton of the South Andaman Sea were investigated during September 2011 to January 2012. A total of 44 species belong to 19 genera were recorded in this study. Tintinnids made larger contribution to the total abundance (34%) followed in order by dinoflagellates (24%), ciliates (20%) and copepod nauplii (18%). Foraminifera were numerically less (4%). Tintinnids were represented by 20 species belong to 13 genera, Heterotrophic dinoflagellates were represented by 17 species belong to 3 genera and Ciliates comprised 5 species belong to 3 genera. Eutintinus tineus, Tintinnopsis cylindrical, T. incertum, Protoperidinium divergens, Lomaniella oviformes, Strombidium minimum were the most prevalent microzooplankton. Standing stock of tintinnids ranged from 30–80 cells.L-1 and showed a reverse distribution with the distribution of chlorophyll a relatively higher species diversity and equitability was found in polluted harbour areas. Conclusions The change of environmental variability affects the species composition and abundance of microzooplankton varied spatially and temporarily. The observations clearly demonstrated that the harbor area differed considerably from other area in terms of species present and phytoplankton biomass. Further, the phytoplankton abundance is showed to be strongly influenced by tintinnid with respect to the relationship of

  19. Onset of simple liquid behaviour in modified water models

    NASA Astrophysics Data System (ADS)

    Prasad, Saurav; Chakravarty, Charusita

    2014-04-01

    The transition to simple liquid behaviour is studied in a set of modified hybrid water models where the potential energy contribution of the Lennard-Jones dispersion-repulsion contribution is progressively enhanced relative to the electrostatic contribution. Characteristics of simple liquid behaviour that indicate the extent to which a given system can be mapped onto an inverse power law fluid are examined, including configurational energy-virial correlations, functional form of temperature dependence of the excess entropy along isochores, and thermodynamic and excess entropy scaling of diffusivities. As the Lennard-Jones contribution to the potential energy function increases, the strength of the configurational energy-virial correlations increases. The Rosenfeld-Tarazona temperature dependence of the excess entropy is found to hold for the range of state points studied here for all the hybrid models, regardless of the degree of correlating character. Thermodynamic scaling is found to hold for weakly polar fluids with a moderate degree of energy-virial correlations. Rosenfeld-scaling of transport properties is found not to be necessarily linked with the strength of energy-virial correlations but may hold for systems with poor thermodynamic scaling if diffusivities and excess entropies show correlated departures from the isomorph-invariant behaviour characteristic of approximate inverse power law fluids. The state-point dependence of the configurational energy-virial correlation coefficient and the implications for thermodynamic and excess entropy scalings are considered.

  20. Onset of simple liquid behaviour in modified water models

    SciTech Connect

    Prasad, Saurav; Chakravarty, Charusita

    2014-04-28

    The transition to simple liquid behaviour is studied in a set of modified hybrid water models where the potential energy contribution of the Lennard-Jones dispersion-repulsion contribution is progressively enhanced relative to the electrostatic contribution. Characteristics of simple liquid behaviour that indicate the extent to which a given system can be mapped onto an inverse power law fluid are examined, including configurational energy-virial correlations, functional form of temperature dependence of the excess entropy along isochores, and thermodynamic and excess entropy scaling of diffusivities. As the Lennard-Jones contribution to the potential energy function increases, the strength of the configurational energy-virial correlations increases. The Rosenfeld-Tarazona temperature dependence of the excess entropy is found to hold for the range of state points studied here for all the hybrid models, regardless of the degree of correlating character. Thermodynamic scaling is found to hold for weakly polar fluids with a moderate degree of energy-virial correlations. Rosenfeld-scaling of transport properties is found not to be necessarily linked with the strength of energy-virial correlations but may hold for systems with poor thermodynamic scaling if diffusivities and excess entropies show correlated departures from the isomorph-invariant behaviour characteristic of approximate inverse power law fluids. The state-point dependence of the configurational energy-virial correlation coefficient and the implications for thermodynamic and excess entropy scalings are considered.

  1. Characterization and Modeling of a Water-based Liquid Scintillator

    SciTech Connect

    L. J. Bignell; Beznosko, D.; Diwan, M. V.; Hans, S.; Jaffe, D. E.; S. Kettell; Rosero, R.; Themann, H. W.; Viren, B.; Worcester, E.; Yeh, M.; Zhang, C.

    2015-12-15

    We characterised Water-based Liquid Scintillator (WbLS) using low energy protons, UV-VIS absorbance, and fluorescence spectroscopy. We have also developed and validated a simulation model that describes the behaviour of WbLS in our detector configurations for proton beam energies of 210 MeV, 475 MeV, and 2 GeV and for two WbLS compositions. These results have enabled us to estimate the light yield and ionisation quenching of WbLS, as well as to understand the influence of the wavelength shifting of Cherenkov light on our measurements. These results are relevant to the suitability of WbLS materials for next generation intensity frontier experiments.

  2. Atomistic simulations of liquid water using Lekner electrostatics

    NASA Astrophysics Data System (ADS)

    English, Niall J.; MacElroy, J. M. D.

    Equilibrium molecular dynamics simulations have been performed for liquid water using three different potential models in the NVT and NPT ensembles. The flexible SPC model, the rigid TIP4P model and the rigid/polarizable TIP4P-FQ potential were studied. The Lekner method was used to handle long range electrostatic interactions, and an efficient trivariate cubic spline interpolation method was devised for this purpose. A partitioning of the electrostatic interactions into medium and long range parts was performed, and the concomitant use of multiple timestep techniques led to substantially enhanced computation speeds. The simulations were carried out using 256 molecules in the NVT ensemble at 25°C and 997kgm-3 and in the NPT ensemble at 25°C and 1 bar. Various dynamic, structural, dielectric, rotational and thermodynamic properties were calculated, and it was found that the simulation methodologies performed satisfactorily vis-à-vis previous simulation results and experimental observations.

  3. Electrokinetic Hydrogen Generation from Liquid WaterMicrojets

    SciTech Connect

    Duffin, Andrew M.; Saykally, Richard J.

    2007-05-31

    We describe a method for generating molecular hydrogen directly from the charge separation effected via rapid flow of liquid water through a metal orifice, wherein the input energy is the hydrostatic pressure times the volume flow rate. Both electrokinetic currents and hydrogen production rates are shown to follow simple equations derived from the overlap of the fluid velocity gradient and the anisotropic charge distribution resulting from selective adsorption of hydroxide ions to the nozzle surface. Pressure-driven fluid flow shears away the charge balancing hydronium ions from the diffuse double layer and carries them out of the aperture. Downstream neutralization of the excess protons at a grounded target electrode produces gaseous hydrogen molecules. The hydrogen production efficiency is currently very low (ca. 10-6) for a single cylindrical jet, but can be improved with design changes.

  4. Conversion of lignocellulosics pretreated with liquid hot water to ethanol

    SciTech Connect

    Walsum, G.P. van; Laser, M.S.; Lynd, L.R.

    1996-12-31

    Lignocellulosic materials pretreated using liquid hot water (LHW) (220{degrees}C, 5 MPa, 120 s) were fermented to ethanol by batch simultaneous saccharification and fermentation (SSF) using Saccharomyces cerevisiae in the presence of Trichoderma reesei cellulose. SSF of sugarcane bagasse (as received), aspen chips (smallest dimension 3 mm), and mixed hardwood flour (-60 +70 mesh) resulted in 90% conversion to ethanol in 2-5 d at enzyme loadings of 15-30 FPU/g. In most cases, 90% of the final conversion was achieved within 75 h of inoculation. Comminution of the pretreated substrates did not affect the conversion to ethanol. The hydrolysate produced from the LHW pretreatment showed slight inhibition of batch growth of S. cerevisiae. Solids pretreated at a concentration of 100 g/L were as reactive as those pretreated at a lower concentration, provided that the temperature was maintained at 220{degrees}C. 51 refs., 3 figs., 4 tabs.

  5. USING SCHUMANN RESONANCE MEASUREMENTS FOR CONSTRAINING THE WATER ABUNDANCE ON THE GIANT PLANETS-IMPLICATIONS FOR THE SOLAR SYSTEM'S FORMATION

    SciTech Connect

    Simoes, Fernando; Pfaff, Robert; Klenzing, Jeffrey; Freudenreich, Henry; Bromund, Kenneth; Martin, Steven; Rowland, Douglas; Takahashi, Yukihiro; Yair, Yoav

    2012-05-01

    The formation and evolution of the solar system is closely related to the abundance of volatiles, namely water, ammonia, and methane in the protoplanetary disk. Accurate measurement of volatiles in the solar system is therefore important for understanding not only the nebular hypothesis and origin of life but also planetary cosmogony as a whole. In this work, we propose a new remote sensing technique to infer the outer planets' water content by measuring Tremendously and Extremely Low Frequency (TLF-ELF) electromagnetic wave characteristics (Schumann resonances) excited by lightning in their gaseous envelopes. Schumann resonance detection can be potentially used for constraining the uncertainty of volatiles of the giant planets, mainly Uranus and Neptune, because such TLF-ELF wave signatures are closely related to the electric conductivity profile and water content.

  6. Using Schumann Resonance Measurements for Constraining the Water Abundance on the Giant Planets - Implications for the Solar System Formation

    NASA Technical Reports Server (NTRS)

    Simoes, Fernando; Pfaff, Robert; Hamelin, Michel; Klenzing, Jeffrey; Freudenreich, Henry; Beghin, Christian; Berthelier, Jean-Jacques; Bromund, Kenneth; Grard, Rejean; Lebreton, Jean-Pierre; Martin, Steven; Rowland, Douglas; Sentman, Davis; Takahashi, Yukihiro; Yair, Yoav

    2012-01-01

    The formation and evolution of the Solar System is closely related to the abundance of volatiles, namely water, ammonia, and methane in the protoplanetary disk. Accurate measurement of volatiles in the Solar System is therefore important to understand not only the nebular hypothesis and origin of life but also planetary cosmogony as a whole. In this work, we propose a new, remote sensing technique to infer the outer planets water content by measuring Tremendously and Extremely Low Frequency (TLF-ELF) electromagnetic wave characteristics (Schumann resonances) excited by lightning in their gaseous envelopes. Schumann resonance detection can be potentially used for constraining the uncertainty of volatiles of the giant planets, mainly Uranus and Neptune, because such TLF-ELF wave signatures are closely related to the electric conductivity profile and water content.

  7. Cloud Liquid Water, Mean Droplet Radius and Number Density Measurements Using a Raman Lidar

    NASA Technical Reports Server (NTRS)

    Whiteman, David N.; Melfi, S. Harvey

    1999-01-01

    A new technique for measuring cloud liquid water, mean droplet radius and droplet number density is outlined. The technique is based on simultaneously measuring Raman and Mie scattering from cloud liquid droplets using a Raman lidar. Laboratory experiments on liquid micro-spheres have shown that the intensity of Raman scattering is proportional to the amount of liquid present in the spheres. This fact is used as a constraint on calculated Mie intensity assuming a gamma function particle size distribution. The resulting retrieval technique is shown to give stable solutions with no false minima. It is tested using Raman lidar data where the liquid water signal was seen as an enhancement to the water vapor signal. The general relationship of retrieved average radius and number density is consistent with traditional cloud physics models. Sensitivity to the assumed maximum cloud liquid water amount and the water vapor mixing ratio calibration are tested. Improvements to the technique are suggested.

  8. Stabilization of lamellar oil-water liquid crystals by surfactant/ co-surfactant monolayers

    NASA Astrophysics Data System (ADS)

    Braganza, L. F.; Dubois, M.; Tabony, J.

    1989-03-01

    LIQUID crystals are divided into two main classes, thermotropic and lyotropic. Thermotropic liquid crystals are formed by melting, whereas lyotropic liquid crystals arise from the association of molecules, such as soap and water, that in general are not in themselves liquid crystalline. Thermotropic liquid crystals are used for liquid-crystal displays; lyotropic liquid crystals occur in living cells. Here we report a novel sequence of lyotropic liquid crystals comprising alternate layers of oil and water whose thickness varies linearly with the relative proportions of oil and water, and we have determined their structure using neutron diffraction methods. The oil and water layers are separated and stabilized by a monolayer film of surfactant and co-surfactant. The individual layers are typically a hundred ångströms or more in thickness, and total lamellar spacings of up to 1,000 Å were observed. This behaviour is difficult to describe in terms of the theories of colloid stability currently used to describe lyotropic liquid crystals. An understanding of the self-organization of such systems over such large distances would elucidate how long-range liquid-crystalline ordering arises in living cells. Moreover, thermotropic liquid crystals are expensive and chemically relatively unstable, and lamellar mesophases of the lyotopic type described here could lead to inexpensive, chemically stable liquid-crystalline materials suitable for industrial application.

  9. CO2 snow depth and subsurface water-ice abundance in the northern hemisphere of Mars.

    PubMed

    Mitrofanov, I G; Zuber, M T; Litvak, M L; Boynton, W V; Smith, D E; Drake, D; Hamara, D; Kozyrev, A S; Sanin, A B; Shinohara, C; Saunders, R S; Tretyakov, V

    2003-06-27

    Observations of seasonal variations of neutron flux from the high-energy neutron detector (HEND) on Mars Odyssey combined with direct measurements of the thickness of condensed carbon dioxide by the Mars Orbiter Laser Altimeter (MOLA) on Mars Global Surveyor show a latitudinal dependence of northern winter deposition of carbon dioxide. The observations are also consistent with a shallow substrate consisting of a layer with water ice overlain by a layer of drier soil. The lower ice-rich layer contains between 50 and 75 weight % water, indicating that the shallow subsurface at northern polar latitudes on Mars is even more water rich than that in the south.

  10. Relationship between optical extinction and liquid water content in fogs

    NASA Astrophysics Data System (ADS)

    Klein, C.; Dabas, A.

    2013-11-01

    Studies carried out in the late 1970s suggest a simple linear relationship exists in practice between the optical extinction in the thermal IR and the liquid water content (LWC) in fogs. Such a relationship opens the possibility to monitor the vertical profile of the LWC in fogs with a rather simple backscatter lidar. Little is known on how the LWC varies as a function of height and during the fog life cycle, so the new measurement technique would help understand fog physics and provide valuable data for improving the quality of fog forecasts. In the present article, the validity of the linear relationship is revisited at the light of recent observations of fog droplet size distributions measured with a combination of sensors covering a large range of droplet radii. In particular, large droplets (radius above 15 μm) are detected, which was not the case in the late 1970s. The results confirm the linear relationship still holds, at least for the mostly radiative fogs observed during the campaign. The impact of the precise value of the real and imaginary parts of the refractive index on the coefficient of the linear relationship is also studied. The usual practice considers droplets are made of pure water. This assumption is probably valid for big droplets, it may be questioned for small ones since droplets are formed from condensation nuclei of highly variable chemical composition. The study suggests the relationship is mostly sensitive to the real part of the refractive index and the sensitivity grows with the size of fog droplets. However, large fog droplets are more likely to have an index close to that of water since they are mainly composed of water.

  11. Helium Isotopes and Noble Gas Abundances of Cave Dripping Water in Three Caves in East Asia

    NASA Astrophysics Data System (ADS)

    Chen, A. T.; Shen, C. C.; Tan, M.; Li, T.; Uemura, R.; Asami, R.

    2015-12-01

    Paleo-temperature recorded in nature archives is a critical parameter to understand climate change in the past. With advantages of unique inert chemical characteristics and sensitive solubilities with temperature, dissolved noble gases in speleothem inclusion water were recently proposed to retrieve terrestrial temperature history. In order to accurately apply this newly-developed speleothem noble gas temperature (NGT) as a reliable proxy, a fundamental issue about behaviors of noble gases in the karst should be first clarified. In this study, we measured noble gas contents in air and dripping water to evaluate any ratio deviation between noble gases. Cave dripping water samples was collected from three selected caves, Shihua Cave in northern China, Furong Cave in southwestern, and Gyukusen Cave in an island located in the western Pacific. For these caves are characterized by a thorough mixing and long-term storage of waters in a karst aquifer by the absence of seasonal oxygen isotope shifts. Ratios of dripping water noble gases are statistically insignificant from air data. Helium isotopic ratios in the dripping water samples match air value. The results indicate that elemental and isotopic signatures of noble gases from air can be frankly preserved in the epikarst and support the fidelity of NGT techniques.

  12. Abundance of pathogenic Escherichia coli, Salmonella typhimurium and Vibrio cholerae in Nkonkobe drinking water sources.

    PubMed

    Momba, Maggy N B; Malakate, Veronica K; Theron, Jacques

    2006-09-01

    In order to study the prevalence of enteric pathogens capable of causing infection and disease in the rural communities of Nkonkobe, bacterial isolates were collected from several surface water and groundwater sources used by the community for their daily water needs. By making use of selective culture media and the 20E API kit, presumptive Escherichia coli, Salmonella spp. and Vibrio cholerae isolates were obtained and then analysed by polymerase chain reaction assays (PCR). The PCR successfully amplified from water samples a fragment of E. coli uidA gene that codes for beta-D-glucuronidase which is a highly specific characteristic of enteropathogenic E. coli, enterotoxigenic E. coli and entero-invasive E. coli. The PCR also amplified the epsM gene from water samples containing toxigenic V. cholerae. Although E. coli was mostly detected in groundwater sources, toxigenic V. cholerae was detected in both surface and groundwater sources. There was a possibility of Salmonella typhimurium in Ngqele and Dyamala borehole water samples. The presence of these pathogenic bacteria in the above drinking water sources may pose a serious health risk to consumers.

  13. Predicting spatial kelp abundance in shallow coastal waters using the acoustic ground discrimination system RoxAnn

    NASA Astrophysics Data System (ADS)

    Mielck, F.; Bartsch, I.; Hass, H. C.; Wölfl, A.-C.; Bürk, D.; Betzler, C.

    2014-04-01

    Kelp forests represent a major habitat type in coastal waters worldwide and their structure and distribution is predicted to change due to global warming. Despite their ecological and economical importance, there is still a lack of reliable spatial information on their abundance and distribution. In recent years, various hydroacoustic mapping techniques for sublittoral environments evolved. However, in turbid coastal waters, such as off the island of Helgoland (Germany, North Sea), the kelp vegetation is present in shallow water depths normally excluded from hydroacoustic surveys. In this study, single beam survey data consisting of the two seafloor parameters roughness and hardness were obtained with RoxAnn from water depth between 2 and 18 m. Our primary aim was to reliably detect the kelp forest habitat with different densities and distinguish it from other vegetated zones. Five habitat classes were identified using underwater-video and were applied for classification of acoustic signatures. Subsequently, spatial prediction maps were produced via two classification approaches: Linear discriminant analysis (LDA) and manual classification routine (MC). LDA was able to distinguish dense kelp forest from other habitats (i.e. mixed seaweed vegetation, sand, and barren bedrock), but no variances in kelp density. In contrast, MC also provided information on medium dense kelp distribution which is characterized by intermediate roughness and hardness values evoked by reduced kelp abundances. The prediction maps reach accordance levels of 62% (LDA) and 68% (MC). The presence of vegetation (kelp and mixed seaweed vegetation) was determined with higher prediction abilities of 75% (LDA) and 76% (MC). Since the different habitat classes reveal acoustic signatures that strongly overlap, the manual classification method was more appropriate for separating different kelp forest densities and low-lying vegetation. It became evident that the occurrence of kelp in this area is not

  14. The Water Abundance of the Directly Imaged Substellar Companion κ And b Retrieved from a Near Infrared Spectrum

    NASA Astrophysics Data System (ADS)

    Todorov, Kamen O.; Line, Michael R.; Pineda, Jaime E.; Meyer, Michael R.; Quanz, Sascha P.; Hinkley, Sasha; Fortney, Jonathan J.

    2016-05-01

    Spectral retrieval has proven to be a powerful tool for constraining the physical properties and atmospheric compositions of extrasolar planet atmospheres based on observed spectra, primarily for transiting objects but also for directly imaged planets and brown dwarfs. Despite its strengths, this approach has been applied to only about a dozen targets. Determining the abundances of the main carbon- and oxygen-bearing compounds in a planetary atmosphere can lead to the C/O ratio of the object, which is crucial for understanding its formation and migration history. We present a retrieval analysis of the published near-infrared spectrum of κ \\quad {Andromedae} b, a directly imaged substellar companion to a young B9 star. We fit the emission spectrum model utilizing a Markov Chain Monte Carlo algorithm. We estimate the abundance of water vapor, and its uncertainty, in the atmosphere of the object. In addition, we place an upper limit on the abundance of CH4. We qualitatively compare our results with studies that have applied model retrieval on multiband photometry and emission spectroscopy of hot Jupiters (extrasolar giant planets with orbital periods of several days) and the directly imaged giant planet HR 8799b.

  15. Spatial Models of Abundance and Habitat Preferences of Commerson’s and Peale’s Dolphin in Southern Patagonian Waters

    PubMed Central

    Dellabianca, Natalia A.; Pierce, Graham J.; Raya Rey, Andrea; Scioscia, Gabriela; Miller, David L.; Torres, Mónica A.; Paso Viola, M. Natalia; Schiavini, Adrián C. M.

    2016-01-01

    Commerson’s dolphins (Cephalorhynchus c. commersonii) and Peale’s dolphins (Lagenorhynchus australis) are two of the most common species of cetaceans in the coastal waters of southwest South Atlantic Ocean. Both species are listed as Data Deficient by the IUCN, mainly due to the lack of information about population sizes and trends. The goal of this study was to build spatially explicit models for the abundance of both species in relation to environmental variables using data collected during eight scientific cruises along the Patagonian shelf. Spatial models were constructed using generalized additive models. In total, 88 schools (212 individuals) of Commerson’s dolphin and 134 schools (465 individuals) of Peale’s dolphin were recorded in 8,535 km surveyed. Commerson’s dolphin was found less than 60 km from shore; whereas Peale’s dolphins occurred over a wider range of distances from the coast, the number of animals sighted usually being larger near or far from the coast. Fitted models indicate overall abundances of approximately 22,000 Commerson’s dolphins and 20,000 Peale’s dolphins in the total area studied. This work provides the first large-scale abundance estimate for Peale’s dolphin in the Atlantic Ocean and an update of population size for Commerson’s dolphin. Additionally, our results contribute to baseline data on suitable habitat conditions for both species in southern Patagonia, which is essential for the implementation of adequate conservation measures. PMID:27783627

  16. Network analysis of proton transfer in liquid water

    SciTech Connect

    Shevchuk, Roman; Rao, Francesco; Agmon, Noam

    2014-06-28

    Proton transfer in macromolecular systems is a fascinating yet elusive process. In the last ten years, molecular simulations have shown to be a useful tool to unveil the atomistic mechanism. Notwithstanding, the large number of degrees of freedom involved make the accurate description of the process very hard even for the case of proton diffusion in bulk water. Here, multi-state empirical valence bond molecular dynamics simulations in conjunction with complex network analysis are applied to study proton transfer in liquid water. Making use of a transition network formalism, this approach takes into account the time evolution of several coordinates simultaneously. Our results provide evidence for a strong dependence of proton transfer on the length of the hydrogen bond solvating the Zundel complex, with proton transfer enhancement as shorter bonds are formed at the acceptor site. We identify six major states (nodes) on the network leading from the “special pair” to a more symmetric Zundel complex required for transferring the proton. Moreover, the second solvation shell specifically rearranges to promote the transfer, reiterating the idea that solvation beyond the first shell of the Zundel complex plays a crucial role in the process.

  17. Why does hydronium diffuse faster than hydroxide in liquid water?

    NASA Astrophysics Data System (ADS)

    Zheng, Lixin; Santra, Biswajit; Distasio, Robert; Klein, Michael; Car, Roberto; Wu, Xifan

    Experiments show that the hydronium ion (H3O+) diffuses much faster than the hydroxide ion (OH-) in liquid water. ab initio molecular dynamics (AIMD) simulations correctly associated the diffusion mechanism to proton transfer (PT) but have been unable so far to clearly identify the reason for the faster diffusion of hydronium compared to hydroxide, as the diffusion rate was found to depend sensitively on the adopted functional approximation. We carried out AIMD simulations of the solvated water ions using a van der Waals (vdW) inclusive PBE0 hybrid density functional. It is found that not only hydronium diffuses faster than hydroxide but also the absolute rates agree with experiment. The fast diffusion of H3O+ occurs via concerted PT that enables the ion to jump across several H-bonded molecules in successful transfer events; in contrast, such concerted motion is significantly hindered in OH- where the ion is easily trapped in a hyper-coordination configuration (a local solvation structure that forbids PT). As a result multiple PT events are rare and the diffusion of OH- is significantly slowed down. Such a clear difference between the two ions results from the combined effect of vdW interactions and self-interaction correction. Doe SciDac: DE-SC0008626 and DE-SC0008726.

  18. Direct Raman evidence for a weak continuous phase transition in liquid water.

    PubMed

    Alphonse, Natalie K; Dillon, Stephanie R; Dougherty, Ralph C; Galligan, Dawn K; Howard, Louis N

    2006-06-22

    This paper presents the Raman depolarization ratio of degassed ultrapure water as a function of temperature, in the range 303.4-314.4 K (30.2-41.2 degrees C). The pressure of the sample was the vapor pressure of water at the measurement temperature. The data provide a direct indication of the existence of a phase transition in the liquid at 307.7 K, 5.8 kPa (34.6 degrees C, 0.057 atm). The minimum in the heat capacity, C(p)(), of water occurs at 34.5 degrees C, 1.0 atm (J. Res. Natl. Bur. Stand. 1939, 23, 197(1)). The minimum in C(p)() is shallow, and the transition is a weak-continuous phase transition. The pressure coefficient of the viscosity of water changes sign as pressure increases for temperatures below 35 degrees C (Nature 1965, 207, 620(2)). The viscosity minimum tracks the liquid phase transition in the P, T plane where it connects with the minimum in the freezing point of pure water in the same plane (Proc. Am. Acad. Arts Sci. 1911-12, 47, 441(3)). Previously we argued (J. Chem. Phys. 1998, 109, 7379(4)) that the minimum in the pressure coefficient of viscosity signaled the elimination of three-dimensional connectivity in liquid water. These observations coupled with recent measurements of the coordination shell of water near 300 K (Science 2004, 304, 995(5)) suggest that the structural component that changes during the phase transition is tetrahedrally coordinated water. At temperatures above the transition, there is no tetrahedrally coordinated water in the liquid and locally planar water structures dominate the liquid structure. Water is a structured liquid with distinct local structures that vary with temperature. Furthermore, liquid water has a liquid-liquid phase transition near the middle of the normal liquid range.

  19. Isobaric vapor-liquid equilibria for methanol + ethanol + water and the three constituent binary systems

    SciTech Connect

    Kurihara, Kiyofumi; Nakamichi, Mikiyoshi; Kojima, Kazuo . Dept. of Industrial Chemistry)

    1993-07-01

    Vapor-liquid equilibrium data for methanol + ethanol + water and its three constituent binary systems methanol + ethanol, ethanol + water, and methanol + water were measured at 101.3 kPa using a liquid-vapor ebullition-type equilibrium still. The experimental binary data were correlated by the NRTL equation. The ternary system methanol + ethanol + water was predicted by means of the binary NRTL parameters with good accuracy.

  20. Spatial heterogeneity of zooplankton abundance and diversity in the Saudi coastal waters of the Southern Red Sea

    NASA Astrophysics Data System (ADS)

    Al-Aidaroos, Ali; El-Sherbiny, Mohsen; Mantha, Gopikrishna

    2013-04-01

    The horizontal distribution, abundance and diversity of zooplankton has been studied at 50 stations along the Saudi coastal waters of the southern Red Sea (27 stations around Farasan archipelago, 9 around Al-Qunfodah and 14 around Al-Lith) during March-April 2011 using a plankton net of 150 µm. The zooplankton standing crop fluctuated between 1058 and 25787 individuals/m3 with an average of 5231 individuals/m3. Zooplankton was dominated by holoplanktonic forms that representing 80.26 % of total zooplankton, while meroplanktonic constituting 19.74% and dominated by mollusc larvae. Copepods appeared to be the predominant component, formed an average of 69.69 % of the total zooplankton count followed by chaetognaths and urochordates (4.5 and 4.1% of total zooplankton respectively). A total of 100 copepods species in addition to several species of other planktonic groups (cladocerans, chaetognaths, urochordates) were recorded in the study area. The copepod diversity decreased northward (94, 69 and 62 species at Farasan, Al-Qunfodah and Al-Lith respectively). In general, adult cyclopoid copepods dominated the zooplankton community in term of abundance and species number (19.55 %, 65 species) with dominance of Oncaea media, Oithona similis and Farranula carinata followed by adult calanoid copepods (19.38%, 35 species) with dominance of Paracalanus aculeatus, Clausocalanus minor, Acartia (Acanthacartia) fossae and Centropages orsinii. Harapacticoids densities were low in abundance, represented only by 5 species and dominated mainly by Euterpina acutifronis. Some copepod species decreased northward: Acartia amboinensis, Canthocalanus pauper, Labidocera acuta, Corycaeus flaccus, C. typicus, C. agilis, C. catus, C. giesbrechti, C. latus, C. furcifer and Euterpina acutifronis, while others increased northward (Acartia fossae, Undinula vulgaris and Centropages orsinii). Among copepod orders, Monstrilloida and Siphonostomatoida were observed only in southern area (Farasan

  1. Effects of deep-water coral banks on the abundance and size structure of the megafauna in the Mediterranean Sea

    NASA Astrophysics Data System (ADS)

    D'Onghia, G.; Maiorano, P.; Sion, L.; Giove, A.; Capezzuto, F.; Carlucci, R.; Tursi, A.

    2010-03-01

    The Santa Maria di Leuca (SML) coral banks represent a rare example of living Lophelia-Madrepora-bearing coral mounds in the Mediterranean Sea. They are located between 350 and 1100 m in depth, in the northern Ionian Sea (eastern-central Mediterranean). Using a multi-beam echo sounder, side-scan sonar, high-resolution seismics and underwater video, the zones were identified for the sampling demersal fauna without damaging the coral colonies. During September-October 2005 experimental samplings were carried out with longlines and trawl nets inside the coral habitat and outside, where fishery exploitation occurs. No significant differences were shown between the abundance of fish recorded using longlines in the coral and non-coral habitat even though some selachians and teleosts were more abundant in the former than in the latter. Large specimens of rockfish ( Helicolenus dactylopterus) and blackspot seabream ( Pagellus bogaraveo) were commonly caught using longlines in the coral habitat. Data from trawling revealed refuge effects in the coral habitat and fishing effects outside. Significant differences were detected between the recorded abundances in the two study areas. Greater densities and biomasses were obtained inside the coral area, and fish size spectra and size distributions indicate a greater abundance of large fish inside the coral habitat. The SML coral habitat is a spawning area for H. dactylopterus. The remarkable density of the young-of-the-year of the deep-water shark Etmopterus spinax as well as of Merluccius merluccius, Micromesistius poutassou, Phycis blennoides and H. dactylopterus, indicates that the coral habitat also acts as nursery area for these demersal species, which are exploited outside. Considering the evidence of the negative impact of bottom trawling and, to a lesser extent, of longlining, the coral banks can provide a refuge for the conservation of unique species and habitats as well as in providing benefit to adjacent fisheries

  2. Investigation of the Extinguishing Features for Liquid Fuels and Organic Flammable Liquids Atomized by a Water Flow

    NASA Astrophysics Data System (ADS)

    Voytkov, Ivan V.; Zabelin, Maksim V.; Vysokomornaya, Olga V.

    2016-02-01

    The processes of heat and mass transfer were investigated experimentally while moving and evaporating the atomized water flow in high-temperature combustion products of typical liquid fuels and organic flammable liquids: gasoline, kerosene, acetone, crude oil, industrial alcohol. We determined typical periods of liquid extinguishing by an atomized water flow of various dispersability. Data of the discharge of extinguishing medium corresponding to various parameters of atomization and duration of using the atomization devices was presented. It is shown that Um≈3.5 m/s is a minimal outflow velocity of droplets during moving while passing the distance of 1m in the high-temperature gas medium to stop the combustion of organic liquids.

  3. Measurements of the vertical profile of water vapor abundance in the Martian atmosphere from Mars Observer

    NASA Technical Reports Server (NTRS)

    Schofield, J. T.; Mccleese, Daniel J.

    1988-01-01

    An analysis is presented of the Pressure Modulator Infrared Radiometer (PMIRR) capabilities along with how the vertical profiles of water vapor will be obtained. The PMIRR will employ filter and pressure modulation radiometry using nine spectral channels, in both limb scanning and nadir sounding modes, to obtain daily, global maps of temperature, dust extinction, condensate extinction, and water vapor mixing ratio profiles as a function of pressure to half scale height or 5 km vertical resolution. Surface thermal properties will also be mapped, and the polar radiactive balance will be monitored.

  4. ASSESSMENT OF THE LIQUID WATER CONTENT OF SUMMERTIME AEROSOL IN THE SOUTHEAST UNITED STATES

    EPA Science Inventory

    The concentration of aerosol liquid water mass represents an important parameter for understanding the physical properties of PM2.5 in the atmosphere. Increases in ambient relative humidity can increase aerosol liquid water and thus the composite particle mass and particle volu...

  5. Model for the structure of the liquid water network

    SciTech Connect

    Grunwald, E.

    1986-09-17

    The state of a water molecule in liquid water is defined by its time-average network environment. Two states are characterized. State A is the familiar four-coordinated state of the Bernal-Fowler model with tetrahedral hydrogen bonds. State B is five-coordinated. Reexamination of the static dielectric constant by the method of Oster and Kirkwood confirms the marked polar character of the four-coordinated state but shows that the five-coordinated state is only about half as polar. Explicit five-coordinated models are proposed which are consistent with polarity and satisfy constraints of symmetry and hydrogen-bond stoichiometry. The potential energy due to the dipole-dipole interaction of the central water molecule with its time-average solvent network is derived without additional parameters. This permits prediction of barriers to rotation, frequencies for hindered rotation and liberation in the network, and ..delta..H/sub A,B/ and ..delta..S/sub A,B/. The results are in substantial agreement with relevant experiments. In particular, the barriers to rotation permit a consistent interpretation of the dielectric relaxation spectrum. The relative importance of the two states varies predictably with the property being examined, and this can account for some of the schizophrenia of aqueous properties. Since the two-state model is based on time-average network configurations, it does not apply when the time scale of observation is short compared to network frequencies, i.e., at infrared frequencies where continuum models may be successful.

  6. Abundance estimation of solid and liquid mixtures in hyperspectral imagery with albedo-based and kernel-based methods

    NASA Astrophysics Data System (ADS)

    Rand, Robert S.; Resmini, Ronald G.; Allen, David W.

    2016-09-01

    This study investigates methods for characterizing materials that are mixtures of granular solids, or mixtures of liquids, which may be linear or non-linear. Linear mixtures of materials in a scene are often the result of areal mixing, where the pixel size of a sensor is relatively large so they contain patches of different materials within them. Non-linear mixtures are likely to occur with microscopic mixtures of solids, such as mixtures of powders, or mixtures of liquids, or wherever complex scattering of light occurs. This study considers two approaches for use as generalized methods for un-mixing pixels in a scene that may be linear or non-linear. One method is based on earlier studies that indicate non-linear mixtures in reflectance space are approximately linear in albedo space. This method converts reflectance to single-scattering albedo (SSA) according to Hapke theory assuming bidirectional scattering at nadir look angles and uses a constrained linear model on the computed albedo values. The other method is motivated by the same idea, but uses a kernel that seeks to capture the linear behavior of albedo in non-linear mixtures of materials. The behavior of the kernel method can be highly dependent on the value of a parameter, gamma, which provides flexibility for the kernel method to respond to both linear and non-linear phenomena. Our study pays particular attention to this parameter for responding to linear and non-linear mixtures. Laboratory experiments on both granular solids and liquid solutions are performed with scenes of hyperspectral data.

  7. Evidence for Recent Liquid Water on Mars: Gullies

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Gully landforms proposed to have been caused by geologically-recent seepage and runoff of liquid water on Mars are found in the most unlikely places. They typically occur in areas that are quite cold, well below freezing all year round. Like the old adage about moss on trees, nearly all of them form on slopes that face away from sunlight. Most of the gullies occur at latitudes between 30 and 70. The highest latitude at which martian gullies have been found is around 70-75 S on the walls of pits developed in the south polar pitted plains. If you were at this same latitude on Earth, you would be in Antarctica. This region spends much of the winter--which lasts approximately 6 months on Mars--in darkness and at temperatures cold enough to freeze carbon dioxide (around -130C or -200F). Nevertheless, gullies with very sharp, deep, v-shaped channels are seen on the pit walls. Based upon the locations of the tops of the channels on the slope shown here, the inferred site of liquid seepage is located at a layer in the pit wall about 1/3 of the way down from the top of the MOC image. The channels start wide and taper downslope. The area above the channels is layered and has been eroded by mass movement dry avalanching of debris--to form a pattern of chutes and ridges on the upper slope of the pit wall. The top layer appears to have many boulders in it (each about the size of a small house), these boulders are left behind on the upper slopes of the pit wall as debris is removed.

  8. Development of an ionic liquid based dispersive liquid-liquid microextraction method for the analysis of polycyclic aromatic hydrocarbons in water samples.

    PubMed

    Pena, M Teresa; Casais, M Carmen; Mejuto, M Carmen; Cela, Rafael

    2009-09-04

    A simple, rapid and efficient method, ionic liquid based dispersive liquid-liquid microextraction (IL-DLLME), has been developed for the first time for the determination of 18 polycyclic aromatic hydrocarbons (PAHs) in water samples. The chemical affinity between the ionic liquid (1-octyl-3-methylimidazolium hexafluorophosphate) and the analytes permits the extraction of the PAHs from the sample matrix also allowing their preconcentration. Thus, this technique combines extraction and concentration of the analytes into one step and avoids using toxic chlorinated solvents. The factors affecting the extraction efficiency, such as the type and volume of ionic liquid, type and volume of disperser solvent, extraction time, dispersion stage, centrifuging time and ionic strength, were optimised. Analysis of extracts was performed by high performance liquid chromatography (HPLC) coupled with fluorescence detection (Flu). The optimised method exhibited a good precision level with relative standard deviation values between 1.2% and 5.7%. Quantification limits obtained for all of these considered compounds (between 0.1 and 7 ng L(-1)) were well below the limits recommended in the EU. The extraction yields for the different compounds obtained by IL-DLLME, ranged from 90.3% to 103.8%. Furthermore, high enrichment factors (301-346) were also achieved. The extraction efficiency of the optimised method is compared with that achieved by liquid-liquid extraction. Finally, the proposed method was successfully applied to the analysis of PAHs in real water samples (tap, bottled, fountain, well, river, rainwater, treated and raw wastewater).

  9. Relative abundance of water-group ions in Saturn's inner magnetosphere

    NASA Astrophysics Data System (ADS)

    Perry, Mark E.; Cravens, Thomas; Tokar, Robert; Smith, Howard T.; Perryman, Rebecca; Waite, J. Hunter; McNutt, Ralph L.

    2016-10-01

    At nineteen different times over seven years, the Cassini Ion Neutral Mass Spectrometer (INMS) measured the relative fractions of water-group ions in the inner magnetosphere of Saturn near the equatorial plane between 3.8 and 6.5 Saturn radii (RS). INMS samples only a small portion of velocity space in any one measurement, but the measurements span a broad range of velocity space. The data show that H2O+ comprises the bulk of the ions near 4.0 RS, and that its fraction decreases with increasing distance from 4.0 RS, the source of neutral water at Enceladus. At 4.0 RS, the fraction of H2O+ ranges from 60% to 100%, with an average of 80%. At 6.5 RS, the three main water-group constituents, H2O+, OH+, and O+, are nearly equal. H3O+, which dominates the water-group ion fractions in the Enceladus plume, is 10% or less in Saturn's magnetosphere outside the plume. The relative ion fractions show other variations that are not clearly linked to any of the studied parameters including velocity, density, and the orbit-phase-dependent activity of Enceladus.

  10. The abundance and distribution of water vapor in the Jovian troposphere as inferred from Voyager IRIS observations

    NASA Technical Reports Server (NTRS)

    Carlson, Barbara E.; Lacis, Andrew A.; Rossow, William B.

    1992-01-01

    The Voyager IRIS spectra of the Jovian North Equatorial Belt (NEB) hot spots are reanalyzed using a radiative transfer model which includes the full effects of anisotropic multiple scattering by clouds. The atmospheric model includes the three thermochemically predicted cloud layers, NH3, NH4SH, and H2O. Spectrally dependent cloud extinction is modeled using Mie theory and the refractive indices of NH3 ice, NH4SH ice, water, and H2O ice. The upper tropospheric temperature profile, gas abundances, height-dependent parahydrogen profile, and vertical distribution of NH3 cloud opacity are retrieved from an analysis of the far-infrared (180-1200/cm) IRIS observations. With these properties constrained, the 5-micron (1800-2300/cm) observations are analyzed to determine the atmospheric and cloud structure of the deeper atmosphere (P of greater than 1.5 bars). The results show that the abundance of water is at least 1.5 times solar with 2 times solar (0.00276 mixing ratio relative to H2) providing the best-fit to the Voyager IRIS hot spot observations.

  11. Angle-resolved photoemission spectroscopy of liquid water at 29.5 eV

    PubMed Central

    Nishitani, Junichi; West, Christopher W.; Suzuki, Toshinori

    2017-01-01

    Angle-resolved photoemission spectroscopy of liquid water was performed using extreme ultraviolet radiation at 29.5 eV and a time-of-flight photoelectron spectrometer. SiC/Mg coated mirrors were employed to select the single-order 19th harmonic from laser high harmonics, which provided a constant photon flux for different laser polarizations. The instrument was tested by measuring photoemission anisotropy for rare gases and water molecules and applied to a microjet of an aqueous NaI solution. The solute concentration was adjusted to eliminate an electric field gradient around the microjet. The observed photoelectron spectra were analyzed considering contributions from liquid water, water vapor, and an isotropic background. The anisotropy parameters of the valence bands (1b1, 3a1, and 1b2) of liquid water are considerably smaller than those of gaseous water, which is primarily attributed to electron scattering in liquid water.

  12. Isotope effects in liquid water by infrared spectroscopy. II. Factor analysis of the temperature effect on H2O and D2O

    NASA Astrophysics Data System (ADS)

    Larouche, Pascal; Max, Jean-Joseph; Chapados, Camille

    2008-08-01

    Some 500 infrared (IR) spectra of light and heavy waters were obtained between 29 and 93 °C in order to identify the species present in liquid water. Factor analysis of these gives two species for each type of water with their IR spectra and abundance curves. Using an orthogonalization procedure, we obtained the temperature factor limits of -22 and +118 °C (+/-5 °C) that we coined cold and hot factors, respectively. Within experimental error, these limits are the same for light and heavy waters. The spectra of the orthogonalized factors presented show a decrease of the OH (OD) stretch band integrated intensities of almost 36% from the cold to the hot factors. No ``free'' OH (OD) group is present or formed in the temperature ramp. This indicates that all water molecules in the bulk are made of an oxygen atom surrounded with four hydrogen atoms, two covalently bonded, and two hydrogen bonded. This is consistent with the previous study of mixtures of H2O and D2O [part I: J.-J. Max and C. Chapados, J. Chem. Phys. 116, 4626 (2002)]. To maintain the ordinary liquid within the limits of 0 and 100 °C at atmospheric pressure, a fraction of the cold and hot factors are necessary. With the spectra of the cold and hot factors and the abundance curves, one can generate the spectrum at any temperature between -22 and +118 °C of light and heavy liquid waters.

  13. Water quantitatively induces the mucoadhesion of liquid crystalline phases of glyceryl monooleate.

    PubMed

    Lee, J; Young, S A; Kellaway, I W

    2001-05-01

    The possible role of water in the mucoadhesion phenomenon exhibited by the liquid crystalline phases of glyceryl monooleate was investigated using an in-vitro tensile strength technique. The mucoadhesion of the liquid crystalline phases of glyceryl monooleate was found to occur following uptake of water. The mucoadhesive force of the cubic phase was consistent since it is not capable of taking up additional water. An increase in pre-load period greatly facilitated the mucoadhesion of glyceryl monooleate (0% w/w initial water content), suggesting that the mucoadhesion is dependent upon the extent of the dehydration of the substrate. A good linear relationship between initial water content of the liquid crystalline phases and mucoadhesive force led to the conclusion that the mucoadhesive force increased with decreasing initial water concentration. Rheological properties of the liquid crystalline phases were also studied to allow a correlation between physical changes and mucoadhesion of the liquid crystalline phases, revealing that higher water concentrations in the liquid crystalline phases led to a more ordered structure that showed less mucoadhesion. The results of this study indicated that the mucoadhesive force of the liquid crystalline phases of glyceryl monooleate is determined by the capability to take up water from a water-rich environment. It may, therefore, be advantageous to use the lamellar phase as a buccal drug carrier as opposed to the relatively less mucoadhesive cubic phase.

  14. Automated dynamic liquid-liquid-liquid microextraction followed by high-performance liquid chromatography-ultraviolet detection for the determination of phenoxy acid herbicides in environmental waters.

    PubMed

    Wu, Jingming; Ee, Kim Huey; Lee, Hian Kee

    2005-08-05

    Automated dynamic liquid-liquid-liquid microextraction (D-LLLME) controlled by a programmable syringe pump and combined with HPLC-UV was investigated for the extraction and determination of 5 phenoxy acid herbicides in aqueous samples. In the extraction procedure, the acceptor phase was repeatedly withdrawn into and discharged from the hollow fiber by the syringe pump. The repetitive movement of acceptor phase into and out of the hollow fiber channel facilitated the transfer of analytes into donor phase, from the organic phase held in the pore of the fiber. Parameters such as the organic solvent, concentrations of the donor and acceptor phases, plunger movement pattern, speed of agitation and ionic strength of donor phase were evaluated. Good linearity of analytes was achieved in the range of 0.5-500 ng/ml with coefficients of determination, r2 > 0.9994. Good repeatabilities of extraction performance were obtained with relative standard deviations lower than 7.5%. The method provided up-to 490-fold enrichment within 13 min. In addition, the limits of detection (LODs) ranged from 0.1 to 0.4 ng/mL (S/N = 3). D-LLLME was successfully applied for the analysis of phenoxy acid herbicides from real environmental water samples.

  15. Studies of liquid water by computer simulations. V. Equation of state of fluid water with Carravetta-Clementi potential

    NASA Astrophysics Data System (ADS)

    Kataoka, Yosuke

    1987-07-01

    The pressure of liquid water at normal density is obtained by molecular dynamics simulations based on four intermolecular potential functions derived from quantum chemical calculations of the water dimer; Matsuoka-Clementi-Yoshimine, Carravetta-Clementi, Clementi-Habitz, Yoon-Morokuma-Davidson. Among them, the Carravetta-Clementi potential gives the most reasonable temperature-dependence of pressure, although the absolute value is large compared with the experimental one. The fluid state is surveyed over a wide range of temperature and density with the Carravetta-Clementi potential. The equation of state of fluid water is determined by a least-square fitting of the calculated energies and pressures at 347 state points. The anomalous properties of liquid water observed experimentally are nonempirically reproduced on a semiquantitative level. The calculated equation of state of liquid water is consistent with the Speedy-Angell conjecture on the limit of stability of the liquid phase.

  16. Probing the interactions between ionic liquids and water: experimental and quantum chemical approach.

    PubMed

    Khan, Imran; Kurnia, Kiki A; Mutelet, Fabrice; Pinho, Simão P; Coutinho, João A P

    2014-02-20

    For an adequate choice or design of ionic liquids, the knowledge of their interaction with other solutes and solvents is an essential feature for predicting the reactivity and selectivity of systems involving these compounds. In this work, the activity coefficient of water in several imidazolium-based ionic liquids with the common cation 1-butyl-3-methylimidazolium was measured at 298.2 K. To contribute to a deeper insight into the interaction between ionic liquids and water, COSMO-RS was used to predict the activity coefficient of water in the studied ionic liquids along with the excess enthalpies. The results showed good agreement between experimental and predicted activity coefficient of water in ionic liquids and that the interaction of water and ionic liquids was strongly influenced by the hydrogen bonding of the anion with water. Accordingly, the intensity of interaction of the anions with water can be ranked as the following: [CF3SO3](-) < [SCN](-) < [TFA](-) < Br(-) < [TOS](-) < Cl(-) < [CH3SO3](-) [DMP](-) < [Ac](-). In addition, fluorination and aromatization of anions are shown to reduce their interaction with water. The effect of temperature on the activity coefficient of water at infinite dilution was measured by inverse gas chromatography and predicted by COSMO-RS. Further analysis based on COSMO-RS provided information on the nature of hydrogen bonding between water and anion as well as the possibility of anion-water complex formation.

  17. Increased stray gas abundance in a subset of drinking water wells near Marcellus shale gas extraction.

    PubMed

    Jackson, Robert B; Vengosh, Avner; Darrah, Thomas H; Warner, Nathaniel R; Down, Adrian; Poreda, Robert J; Osborn, Stephen G; Zhao, Kaiguang; Karr, Jonathan D

    2013-07-09

    Horizontal drilling and hydraulic fracturing are transforming energy production, but their potential environmental effects remain controversial. We analyzed 141 drinking water wells across the Appalachian Plateaus physiographic province of northeastern Pennsylvania, examining natural gas concentrations and isotopic signatures with proximity to shale gas wells. Methane was detected in 82% of drinking water samples, with average concentrations six times higher for homes <1 km from natural gas wells (P = 0.0006). Ethane was 23 times higher in homes <1 km from gas wells (P = 0.0013); propane was detected in 10 water wells, all within approximately 1 km distance (P = 0.01). Of three factors previously proposed to influence gas concentrations in shallow groundwater (distances to gas wells, valley bottoms, and the Appalachian Structural Front, a proxy for tectonic deformation), distance to gas wells was highly significant for methane concentrations (P = 0.007; multiple regression), whereas distances to valley bottoms and the Appalachian Structural Front were not significant (P = 0.27 and P = 0.11, respectively). Distance to gas wells was also the most significant factor for Pearson and Spearman correlation analyses (P < 0.01). For ethane concentrations, distance to gas wells was the only statistically significant factor (P < 0.005). Isotopic signatures (δ(13)C-CH4, δ(13)C-C2H6, and δ(2)H-CH4), hydrocarbon ratios (methane to ethane and propane), and the ratio of the noble gas (4)He to CH4 in groundwater were characteristic of a thermally postmature Marcellus-like source in some cases. Overall, our data suggest that some homeowners living <1 km from gas wells have drinking water contaminated with stray gases.

  18. Increased stray gas abundance in a subset of drinking water wells near Marcellus shale gas extraction

    PubMed Central

    Jackson, Robert B.; Vengosh, Avner; Darrah, Thomas H.; Warner, Nathaniel R.; Down, Adrian; Poreda, Robert J.; Osborn, Stephen G.; Zhao, Kaiguang; Karr, Jonathan D.

    2013-01-01

    Horizontal drilling and hydraulic fracturing are transforming energy production, but their potential environmental effects remain controversial. We analyzed 141 drinking water wells across the Appalachian Plateaus physiographic province of northeastern Pennsylvania, examining natural gas concentrations and isotopic signatures with proximity to shale gas wells. Methane was detected in 82% of drinking water samples, with average concentrations six times higher for homes <1 km from natural gas wells (P = 0.0006). Ethane was 23 times higher in homes <1 km from gas wells (P = 0.0013); propane was detected in 10 water wells, all within approximately 1 km distance (P = 0.01). Of three factors previously proposed to influence gas concentrations in shallow groundwater (distances to gas wells, valley bottoms, and the Appalachian Structural Front, a proxy for tectonic deformation), distance to gas wells was highly significant for methane concentrations (P = 0.007; multiple regression), whereas distances to valley bottoms and the Appalachian Structural Front were not significant (P = 0.27 and P = 0.11, respectively). Distance to gas wells was also the most significant factor for Pearson and Spearman correlation analyses (P < 0.01). For ethane concentrations, distance to gas wells was the only statistically significant factor (P < 0.005). Isotopic signatures (δ13C-CH4, δ13C-C2H6, and δ2H-CH4), hydrocarbon ratios (methane to ethane and propane), and the ratio of the noble gas 4He to CH4 in groundwater were characteristic of a thermally postmature Marcellus-like source in some cases. Overall, our data suggest that some homeowners living <1 km from gas wells have drinking water contaminated with stray gases. PMID:23798404

  19. Evaporation of Ethanol-Water Binary Mixture Sessile Liquid Marbles.

    PubMed

    Ooi, Chin Hong; Bormashenko, Edward; Nguyen, Anh V; Evans, Geoffrey M; Dao, Dzung V; Nguyen, Nam-Trung

    2016-06-21

    Liquid marble is a liquid droplet coated with particles. Recently, the evaporation process of a sessile liquid marble using geometric measurements has attracted great attention from the research community. However, the lack of gravimetric measurement limits further insights into the physical changes of a liquid marble during the evaporation process. Moreover, the evaporation process of a marble containing a liquid binary mixture has not been reported before. The present paper investigates the effective density and the effective surface tension of an evaporating liquid marble that contains aqueous ethanol at relatively low concentrations. The effective density of an evaporating liquid marble is determined from the concurrent measurement of instantaneous mass and volume. Density measurements combined with surface profile fitting provide the effective surface tension of the marble. We found that the density and surface tension of an evaporating marble are significantly affected by the particle coating.

  20. Analysis of aromatic amines in water samples by liquid-liquid-liquid microextraction with hollow fibers and high-performance liquid chromatography.

    PubMed

    Zhao, Limian; Zhu, Lingyan; Lee, Hian Kee

    2002-07-19

    Liquid-liquid-liquid microextraction (LLLME) with hollow fibers in high-performance liquid chromatography (HPLC) has been applied as a rapid and sensitive quantitative method for the detection of four aromatic amines (3-nitroaniline, 4-chloroaniline, 4-bromoaniline and 3,4-dichloroaniline) in environmental water samples. The preconcentration procedure was induced by the pH difference inside and outside the hollow fiber. The target compounds were extracted from 4-ml aqueous sample (donor solution, pH approximately 13) through a microfilm of organic solvent (di-n-hexyl ether), immobilized in the pores of a hollow fiber (1.5 cm length x 0.6 mm I.D.), and finally into 4 microl of acid acceptor solution inside the fiber. After a prescribed period of time, the acceptor solution inside the fiber was withdrawn into the microsyringe and directly injected into the HPLC system for analysis. Factors relevant to the extraction procedure were studied. Up to 500-fold enrichment of analytes could be obtained under the optimized conditions (donor solution: 0.1 M sodium hydroxide solution with 20% sodium chloride and 2% acetone; organic phase: di-n-hexyl ether; acceptor solution: 0.5 M hydrochloric acid and 500 mM 18-crown-6 ether; extraction time of 30 min; stirring at 1,000 rev./min). The procedure also served as a sample clean-up step. The influence of humic acid on the extraction efficiency was also investigated, and more than 85% relative recoveries of the analytes at two different concentrations (20 and 100 microg/l) were achieved at various concentration of humic acid. This technique is a low cost, simple and fast approach to the analysis of polar compounds in aqueous samples.

  1. Abundance and composition of indigenous bacterial communities in a multi-step biofiltration-based drinking water treatment plant.

    PubMed

    Lautenschlager, Karin; Hwang, Chiachi; Ling, Fangqiong; Liu, Wen-Tso; Boon, Nico; Köster, Oliver; Egli, Thomas; Hammes, Frederik

    2014-10-01

    Indigenous bacterial communities are essential for biofiltration processes in drinking water treatment systems. In this study, we examined the microbial community composition and abundance of three different biofilter types (rapid sand, granular activated carbon, and slow sand filters) and their respective effluents in a full-scale, multi-step treatment plant (Zürich, CH). Detailed analysis of organic carbon degradation underpinned biodegradation as the primary function of the biofilter biomass. The biomass was present in concentrations ranging between 2-5 × 10(15) cells/m(3) in all filters but was phylogenetically, enzymatically and metabolically diverse. Based on 16S rRNA gene-based 454 pyrosequencing analysis for microbial community composition, similar microbial taxa (predominantly Proteobacteria, Planctomycetes, Acidobacteria, Bacteriodetes, Nitrospira and Chloroflexi) were present in all biofilters and in their respective effluents, but the ratio of microbial taxa was different in each filter type. This change was also reflected in the cluster analysis, which revealed a change of 50-60% in microbial community composition between the different filter types. This study documents the direct influence of the filter biomass on the microbial community composition of the final drinking water, particularly when the water is distributed without post-disinfection. The results provide new insights on the complexity of indigenous bacteria colonizing drinking water systems, especially in different biofilters of a multi-step treatment plant.

  2. Liquid Water from First Principles: Validation of Different Sampling Approaches

    SciTech Connect

    Mundy, C J; Kuo, W; Siepmann, J; McGrath, M J; Vondevondele, J; Sprik, M; Hutter, J; Parrinello, M; Mohamed, F; Krack, M; Chen, B; Klein, M

    2004-05-20

    A series of first principles molecular dynamics and Monte Carlo simulations were carried out for liquid water to assess the validity and reproducibility of different sampling approaches. These simulations include Car-Parrinello molecular dynamics simulations using the program CPMD with different values of the fictitious electron mass in the microcanonical and canonical ensembles, Born-Oppenheimer molecular dynamics using the programs CPMD and CP2K in the microcanonical ensemble, and Metropolis Monte Carlo using CP2K in the canonical ensemble. With the exception of one simulation for 128 water molecules, all other simulations were carried out for systems consisting of 64 molecules. It is found that the structural and thermodynamic properties of these simulations are in excellent agreement with each other as long as adiabatic sampling is maintained in the Car-Parrinello molecular dynamics simulations either by choosing a sufficiently small fictitious mass in the microcanonical ensemble or by Nos{acute e}-Hoover thermostats in the canonical ensemble. Using the Becke-Lee-Yang-Parr exchange and correlation energy functionals and norm-conserving Troullier-Martins or Goedecker-Teter-Hutter pseudopotentials, simulations at a fixed density of 1.0 g/cm{sup 3} and a temperature close to 315 K yield a height of the first peak in the oxygen-oxygen radial distribution function of about 3.0, a classical constant-volume heat capacity of about 70 J K{sup -1} mol{sup -1}, and a self-diffusion constant of about 0.1 Angstroms{sup 2}/ps.

  3. Dissociative ionization of liquid water induced by vibrational overtone excitation

    SciTech Connect

    Natzle, W.C.

    1983-03-01

    Photochemistry of vibrationally activated ground electronic state liquid water to produce H/sup +/ and OH/sup -/ ions has been initiated by pulsed, single-photon excitation of overtone and combination transitions. Transient conductivity measurements were used to determine quantum yields as a function of photon energy, isotopic composition, and temperature. The equilibrium relaxation rate following perturbation by the vibrationally activated reaction was also measured as a function of temperature reaction and isotopic composition. In H/sub 2/O, the quantum yield at 283 +- 1 K varies from 2 x 10/sup -9/ to 4 x 10/sup -5/ for wave numbers between 7605 and 18140 cm/sup -1/. In D/sub 2/O, the dependence of quantum yield on wavelength has the same qualitative shape as for H/sub 2/O, but is shifted to lower quantum yields. The position of a minimum in the quantum yield versus hydrogen mole fraction curve is consistent with a lower quantum yield for excitation of HOD in D/sub 2/O than for excitation of D/sub 2/O. The ionic recombination distance of 5.8 +- 0.5 A is constant within experimental error with temperature in H/sub 2/O and with isotopic composition at 25 +- 1/sup 0/C.

  4. Electrochemical anomalies of protic ionic liquid - Water systems: A case study using ethylammonium nitrate - Water system

    NASA Astrophysics Data System (ADS)

    Abe, Hiroshi; Nakama, Kazuya; Hayashi, Ryotaro; Aono, Masami; Takekiyo, Takahiro; Yoshimura, Yukihiro; Saihara, Koji; Shimizu, Akio

    2016-08-01

    Electrochemical impedance spectroscopy was used to evaluate protic ionic liquid (pIL)-water mixtures in the temperature range of -35-25 °C. The pIL used in this study was ethylammonium nitrate (EAN). At room temperature, the resonant mode of conductivity was observed in the high frequency region. The anomalous conductivity disappeared once solidification occurred at low temperatures. The kinetic pH of the EAN-water system was investigated at a fixed temperature. Rhythmic pH oscillations in the EAN-H2O mixtures were induced at 70 < x < 90 mol% H2O. The electrochemical instabilities in a EAN-water mixture are caused in an intermediate state between pIL and bulk water. From the ab initio calculations, it was observed that the dipole moment of the EAN-water complex shows a discrete jump at around 85 mol% H2O. Water-mediated hydrogen bonding network drastically changes at the crossover concentration.

  5. High-throughput quantification of the levels and labeling abundance of free amino acids by liquid chromatography tandem mass spectrometry.

    PubMed

    Cocuron, Jean-Christophe; Tsogtbaatar, Enkhtuul; Alonso, Ana P

    2017-03-24

    Accurate assessment of mass isotopomer distributions (MIDs) of intracellular metabolites, such as free amino acids (AAs), is crucial for quantifying in vivo fluxes. To date, the majority of studies that measured AA MIDs have relied on the analysis of proteinogenic rather than free AAs by: i) GC-MS, which involved cumbersome process of derivatization, or ii) NMR, which requires large quantities of biological sample. In this work, the development and validation of a high-throughput LC-MS/MS method allowing the quantification of the levels and labeling of free AAs is described. Sensitivity in the order of the femtomol was achieved using multiple reaction monitoring mode (MRM). The MIDs of all free AAs were assessed without the need of derivatization, and were validated (except for Trp) on a mixture of unlabeled AA standards. Finally, this method was applied to the determination of the (13)C-labeling abundance in free AAs extracted from maize embryos cultured with (13)C-glutamine or (13)C-glucose. Although Cys was below the limit of detection in these biological samples, the MIDs of a total of 18 free AAs were successfully determined. Due to the increased application of tandem mass spectrometry for (13)C-Metabolic Flux Analysis, this novel method will enable the assessment of more complete and accurate labeling information of intracellular AAs, and therefore a better definition of the fluxes.

  6. Microwave-assisted liquid-liquid microextraction based on solidification of ionic liquid for the determination of sulfonamides in environmental water samples.

    PubMed

    Song, Ying; Wu, Lijie; Lu, Chunmei; Li, Na; Hu, Mingzhu; Wang, Ziming

    2014-12-01

    An easy, quick, and green method, microwave-assisted liquid-liquid microextraction based on solidification of ionic liquid, was first developed and applied to the extraction of sulfonamides in environmental water samples. 1-Ethy-3-methylimidazolium hexafluorophosphate, which is a solid-state ionic liquid at room temperature, was used as extraction solvent in the present method. After microwave irradiation for 90 s, the solid-state ionic liquid was melted into liquid phase and used to finish the extraction of the analytes. The ionic liquid and sample matrix can be separated by freezing and centrifuging. Several experimental parameters, including amount of extraction solvent, microwave power and irradiation time, pH of sample solution, and ionic strength, were investigated and optimized. Under the optimum experimental conditions, good linearity was observed in the range of 2.00-400.00 μg/L with the correlation coefficients ranging from 0.9995 to 0.9999. The limits of detection for sulfathiazole, sulfachlorpyridazine, sulfamethoxazole, and sulfaphenazole were 0.39, 0.33, 0.62, and 0.85 μg/L, respectively. When the present method was applied to the analysis of environmental water samples, the recoveries of the analytes ranged from 75.09 to 115.78% and relative standard deviations were lower than 11.89%.

  7. Electrodeposition of Si from an Ionic Liquid Bath at Room Temperature in the Presence of Water.

    PubMed

    Shah, Nisarg K; Pati, Ranjan Kumar; Ray, Abhijit; Mukhopadhyay, Indrajit

    2017-02-21

    The electrochemical deposition of Si has been carried out in an ionic liquid medium in the presence of water in a limited dry nitrogen environment on highly oriented pyrolytic graphite (HOPG) at room temperature. It has been found that the presence of water in ionic liquids does not affect the available effective potential window to a large extent. Silicon has been successfully deposited electrochemically in the overpotential regime in two different ionic liquids, namely, BMImTf2N and BMImPF6, in the presence of water. Although a Si thin film has been obtained from BMImTf2N; only distinguished Si crystals protected in ionic liquid droplets have been observed from BMImPF6. The most important observation of the present investigation is that the Si precursor, SiCl4, instead of undergoing hydrolysis, even in the presence of water, coexisted with ionic liquids, and elemental Si has been successfully electrodeposited.

  8. Constraining Martian Water Abundance via Combination of MONS and CRISM data

    NASA Astrophysics Data System (ADS)

    Teodoro, L. A.; Eke, V. R.; Elphic, R. C.; Roush, T. L.; Marzo, G.; Brown, A. J.; Feldman, W. C.

    2010-12-01

    The Mars Odyssey Mission carries a collection of three instruments whose main aim is to determine the elemental composition of the top layers of the martian surface materials. Among them, the Neutron Spectrometer has produced a wealth of data that has allowed a comprehensive study of the overall distribution of hydrogen on the surface of Mars [1]. In brief, deposits ranging between 20% and 100% Water-Equivalent Hydrogen (WEH) by mass are found pole-ward of 55 deg. latitude, and less rich, but still significant, deposits are found at near-equatorial latitudes. However, the Mars Odyssey Neutron Spectrometer (MONS) has a spatial resolution with FWHM of ~550 km. Hence, if one wants to associate WEH with geologic features and with mineralogy observed independently, then this must address the MONS instrumental smearing needs to be properly understood and removed. Usually, in the presence of noise, this is an ill posed problem that requires the use of a statistical approach [2]. Teodoro et al [3] have carried out a study of the martian polar regions applying such a methodology to Martian epithermal neutrons. An exciting prospect is to obtain more accurate WEH estimates from MONS polar data that incorporates independent knowledge/estimates of WEH from other data. The Mars Reconnaissance Orbiter-Compact Reconnaissance Imaging Spectrometer for Mars (MRO-CRISM) has identified numerous locations on Mars where certain locales where hydrous minerals have been identified (e.g. [4]). This independent information can, perhaps, help to impose additional constraints to the statistical evaluation of the MONS data. In turn the combined data can provide more robust estimates of the real extent or the original volume of surface water needed to create evaporated deposits or other sedimentary units. This work will present the results of applying a Pixon image reconstruction approach to the Mars Odyssey polar epithermal neutron data coupled with information regarding the distribution of

  9. Estimating population abundance and mapping distribution of wintering sea ducks in coastal waters of the mid-Atlantic

    USGS Publications Warehouse

    Koneff, M.D.; Royle, J. Andrew; Forsell, D.J.; Wortham, J.S.; Boomer, G.S.; Perry, M.C.

    2005-01-01

    Survey design for wintering scoters (Melanitta sp.) and other sea ducks that occur in offshore waters is challenging because these species have large ranges, are subject to distributional shifts among years and within a season, and can occur in aggregations. Interest in winter sea duck population abundance surveys has grown in recent years. This interest stems from concern over the population status of some sea ducks, limitations of extant breeding waterfowl survey programs in North America and logistical challenges and costs of conducting surveys in northern breeding regions, high winter area philopatry in some species and potential conservation implications, and increasing concern over offshore development and other threats to sea duck wintering habitats. The efficiency and practicality of statistically-rigorous monitoring strategies for mobile, aggregated wintering sea duck populations have not been sufficiently investigated. This study evaluated a 2-phase adaptive stratified strip transect sampling plan to estimate wintering population size of scoters, long-tailed ducks (Clangua hyemalis), and other sea ducks and provide information on distribution. The sampling plan results in an optimal allocation of a fixed sampling effort among offshore strata in the U.S. mid-Atlantic coast region. Phase I transect selection probabilities were based on historic distribution and abundance data, while Phase 2 selection probabilities were based on observations made during Phase 1 flights. Distance sampling methods were used to estimate detection rates. Environmental variables thought to affect detection rates were recorded during the survey and post-stratification and covariate modeling were investigated to reduce the effect of heterogeneity on detection estimation. We assessed cost-precision tradeoffs under a number of fixed-cost sampling scenarios using Monte Carlo simulation. We discuss advantages and limitations of this sampling design for estimating wintering sea duck

  10. Vortex-assisted liquid-liquid microextraction for the rapid screening of short-chain chlorinated paraffins in water.

    PubMed

    Chang, Chia-Yu; Chung, Wu-Hsun; Ding, Wang-Hsien

    2016-01-01

    The rapid screening of trace levels of short-chain chlorinated paraffins in various aqueous samples was performed by a simple and reliable procedure based on vortex-assisted liquid-liquid microextraction combined with gas chromatography and electron capture negative ionization mass spectrometry. The optimal vortex-assisted liquid-liquid microextraction conditions for 20 mL water sample were as follows: extractant 400 μL of dichloromethane; vortex extraction time of 1 min at 2500 × g; centrifugation of 3 min at 5000 × g; and no ionic strength adjustment. Under the optimum conditions, the limit of quantitation was 0.05 μg/L. Precision, as indicated by relative standard deviations, was less than 9% for both intra- and inter-day analysis. Accuracy, expressed as the mean extraction recovery, was above 91%. The vortex-assisted liquid-liquid microextraction with gas chromatography and electron capture negative ionization mass spectrometry method was successfully applied to quantitatively extract short-chain chlorinated paraffins from samples of river water and the effluent of a wastewater treatment plant, and the concentrations ranged from 0.8 to 1.6 μg/L.

  11. Soluble Mn(III)-L complexes are abundant in oxygenated waters and stabilized by humic ligands

    NASA Astrophysics Data System (ADS)

    Oldham, Véronique E.; Mucci, Alfonso; Tebo, Bradley M.; Luther, George W.

    2017-02-01

    Dissolved Mn (dMnT) is thought to be dominated by metastable Mn(II) in the presence of oxygen, as the stable form is insoluble Mn(IV). We show, for the first time, that Mn(III) is also stable as a soluble species in the oxygenated water column, when stabilized by organic ligands as Mn(III)-L complexes. We measured Mn(III)-L complexes in the oxygenated waters of a coastal fjord and a hemipelagic system where they make up to 86% of the dMnT. Although Mn(III) forms similar complexes to Fe(III), unlike most of the analogous Fe(III)-L complexes, the Mn(III)-L complexes are not colloidal, as they pass through both 0.20 μm and 0.02 μm filters. Depending on the kinetic stability of the Mn(III) complexes and the microbial community of a given system, these Mn(III)-L complexes are capable of donating or accepting electrons and may therefore serve as both reductants or oxidants, can be biologically available, and can thus participate in a multitude of redox reactions and biogeochemical processes. Furthermore, sample acidification experiments revealed that Mn(III) binding to humic ligands is responsible for up to 100% of this complexation, which can influence the formation of other metal complexes including Fe(III) and thus impact nutrient availability and uptake. Hence, humic ligands may play a greater role in dissolved Mn transport from coastal areas to the ocean than previously thought.

  12. Water-saving liquid-gas conditioning system

    DOEpatents

    Martin, Christopher; Zhuang, Ye

    2014-01-14

    A method for treating a process gas with a liquid comprises contacting a process gas with a hygroscopic working fluid in order to remove a constituent from the process gas. A system for treating a process gas with a liquid comprises a hygroscopic working fluid comprising a component adapted to absorb or react with a constituent of a process gas, and a liquid-gas contactor for contacting the working fluid and the process gas, wherein the constituent is removed from the process gas within the liquid-gas contactor.

  13. Degassifying and mixing apparatus for liquids. [potable water for spacecraft

    NASA Technical Reports Server (NTRS)

    Yamauchi, S. T. (Inventor)

    1983-01-01

    An apparatus for degassing a liquid comprises a containment vessel a liquid pump and a header assembly (12) within the containment vessel in a volume above the reservoir of the liquid. The pump draws from this reservoir and outputs to the header assembly, the latter being constructed to return the liquid to the reservoir in the form of a number of stacked, vertically spaced, concentric, conical cascades via orifices. A vacuum source provides a partial vacuum in the containment vessel to enhance the degassing process.

  14. Balancing local order and long-ranged interactions in the molecular theory of liquid water.

    PubMed

    Shah, J K; Asthagiri, D; Pratt, L R; Paulaitis, M E

    2007-10-14

    A molecular theory of liquid water is identified and studied on the basis of computer simulation of the TIP3P model of liquid water. This theory would be exact for models of liquid water in which the intermolecular interactions vanish outside a finite spatial range, and therefore provides a precise analysis tool for investigating the effects of longer-ranged intermolecular interactions. We show how local order can be introduced through quasichemical theory. Long-ranged interactions are characterized generally by a conditional distribution of binding energies, and this formulation is interpreted as a regularization of the primitive statistical thermodynamic problem. These binding-energy distributions for liquid water are observed to be unimodal. The Gaussian approximation proposed is remarkably successful in predicting the Gibbs free energy and the molar entropy of liquid water, as judged by comparison with numerically exact results. The remaining discrepancies are subtle quantitative problems that do have significant consequences for the thermodynamic properties that distinguish water from many other liquids. The basic subtlety of liquid water is found then in the competition of several effects which must be quantitatively balanced for realistic results.

  15. Revisiting a many-body model for water based on a single polarizable site: from gas phase clusters to liquid and air/liquid water systems.

    PubMed

    Réal, Florent; Vallet, Valérie; Flament, Jean-Pierre; Masella, Michel

    2013-09-21

    We present a revised version of the water many-body model TCPE [M. Masella and J.-P. Flament, J. Chem. Phys. 107, 9105 (1997)], which is based on a static three charge sites and a single polarizable site to model the molecular electrostatic properties of water, and on an anisotropic short range many-body energy term specially designed to accurately model hydrogen bonding in water. The parameters of the revised model, denoted TCPE/2013, are here developed to reproduce the ab initio energetic and geometrical properties of small water clusters (up to hexamers) and the repulsive water interactions occurring in cation first hydration shells. The model parameters have also been refined to reproduce two liquid water properties at ambient conditions, the density and the vaporization enthalpy. Thanks to its computational efficiency, the new model range of applicability was validated by performing simulations of liquid water over a wide range of temperatures and pressures, as well as by investigating water liquid/vapor interfaces over a large range of temperatures. It is shown to reproduce several important water properties at an accurate enough level of precision, such as the existence liquid water density maxima up to a pressure of 1000 atm, the water boiling temperature, the properties of the water critical point (temperature, pressure, and density), and the existence of a "singularity" temperature at about 225 K in the supercooled regime. This model appears thus to be particularly well-suited for characterizing ion hydration properties under different temperature and pressure conditions, as well as in different phases and interfaces.

  16. Revisiting a many-body model for water based on a single polarizable site: From gas phase clusters to liquid and air/liquid water systems

    NASA Astrophysics Data System (ADS)

    Réal, Florent; Vallet, Valérie; Flament, Jean-Pierre; Masella, Michel

    2013-09-01

    We present a revised version of the water many-body model TCPE [M. Masella and J.-P. Flament, J. Chem. Phys. 107, 9105 (1997)], which is based on a static three charge sites and a single polarizable site to model the molecular electrostatic properties of water, and on an anisotropic short range many-body energy term specially designed to accurately model hydrogen bonding in water. The parameters of the revised model, denoted TCPE/2013, are here developed to reproduce the ab initio energetic and geometrical properties of small water clusters (up to hexamers) and the repulsive water interactions occurring in cation first hydration shells. The model parameters have also been refined to reproduce two liquid water properties at ambient conditions, the density and the vaporization enthalpy. Thanks to its computational efficiency, the new model range of applicability was validated by performing simulations of liquid water over a wide range of temperatures and pressures, as well as by investigating water liquid/vapor interfaces over a large range of temperatures. It is shown to reproduce several important water properties at an accurate enough level of precision, such as the existence liquid water density maxima up to a pressure of 1000 atm, the water boiling temperature, the properties of the water critical point (temperature, pressure, and density), and the existence of a "singularity" temperature at about 225 K in the supercooled regime. This model appears thus to be particularly well-suited for characterizing ion hydration properties under different temperature and pressure conditions, as well as in different phases and interfaces.

  17. One-electron Initiated Two-electron Oxidation of Water by Aluminum Porphyrins with Earth's Most Abundant Metal Ion.

    PubMed

    Kuttassery, Fazalurahman; Mathew, Siby; Sagawa, Shogo; Remello, Sebastian Nybin; Thomas, Arun; Yamamoto, Daisuke; Onuki, Satomi; Nabetani, Yu; Tachibana, Hiroshi; Inoue, Haruo

    2017-03-20

    We report here a new molecular catalyst for efficient water splitting, aluminum porphyrins (tetra-methylpyridiniumylporphyrinatealuminum: AlTMPyP), containing the Earth's most abundant metal as the central ion. One-electron oxidation of the aluminum porphyrin initiates the two-electron oxidation of water to form hydrogen peroxide as the primary reaction product with the lowest known overpotential (97 mV). The aluminum-peroxo complex was clearly detected by a cold-spray ionization mass-spectrometry in HRMS mode and the structure of the intermediate was further confirmed using laser-Raman spectroscopy, indicating the hydroperoxy complex of AlTMPyP to be the key intermediate in the reaction. The two-electron oxidation of water to form hydrogen peroxide was essentially quantitative, with a Faradaic efficiency of 99%. The catalytic reaction was found to be highly efficient, with a turnover frequency up to ~ 2 × 10⁴ s¯¹. A reaction mechanism is proposed involving oxygen-oxygen bond formation by the attack of a hydroxide ion on the oxyl-radical-like axial ligand oxygen atom in the one-electron-oxidized form of AlTMPyP(O¯)₂, followed by a second electron transfer to the electrode.

  18. Hydrodynamic control of mesozooplankton abundance and biomass in northern Svalbard waters (79-81°N)

    NASA Astrophysics Data System (ADS)

    Blachowiak-Samolyk, Katarzyna; Søreide, Janne E.; Kwasniewski, Slawek; Sundfjord, Arild; Hop, Haakon; Falk-Petersen, Stig; Nøst Hegseth, Else

    2008-10-01

    The spatial variation in mesozooplankton biomass, abundance and species composition in relation to oceanography was studied in different climatic regimes (warm Atlantic vs. cold Arctic) in northern Svalbard waters. Relationships between the zooplankton community and various environmental factors (salinity, temperature, sampling depth, bottom depth, sea-ice concentrations, algal biomass and bloom stage) were established using multivariate statistics. Our study demonstrated that variability in the physical environment around Svalbard had measurable effect on the pelagic ecosystem. Differences in bottom depth and temperature-salinity best explained more than 40% of the horizontal variability in mesozooplankton biomass (DM m -2) after adjusting for seasonal variability. Salinity and temperature also explained much (21% and 15%, respectively) of the variability in mesozooplankton vertical distribution (ind. m -3) in August. Algal bloom stage, chlorophyll- a biomass, and depth stratum accounted for additional 17% of the overall variability structuring vertical zooplankton distribution. Three main zooplankton communities were identified, including Atlantic species Fritillaria borealis, Oithona atlantica, Calanus finmarchicus, Themisto abyssorum and Aglantha digitale; Arctic species Calanus glacialis, Gammarus wilkitzkii, Mertensia ovum and Sagitta elegans; and deeper-water inhabitants Paraeuchaeta spp., Spinocalanus spp., Aetideopsis minor, Mormonilla minor, Scolecithricella minor, Gaetanus ( Gaidius) tenuispinus, Ostracoda, Scaphocalanus brevicornis and Triconia borealis. Zooplankton biomasses in Atlantic- and Arctic-dominated water masses were similar, but biological "hot-spots" were associated with Arctic communities.

  19. Estimated accuracy of ground-based liquid water measurements during FIRE

    NASA Technical Reports Server (NTRS)

    Snider, Jack B.

    1990-01-01

    Since on goal of the First ISCCP Regional Experiment (FIRE) project is to improve our understanding of the relationships between cloud microphysics and cloud reflectivity, it is important that the accuracy of remote liquid measurements by microwave radiometry be thoroughly understood. The question is particularly relevant since the uncertainty in the absolute value of the radiometric liquid measurement is greatest at low liquid water contents (less than 0.1 mm). However it should be stressed that although uncertainty exists in the absolute value of liquid, it is well known that the observed radiometric signal is proportional to the amount of liquid in the antenna beam. As a result, changes in amounts of liquid are known to greater accuracy than the absolute value, which may contain a bias. Here, an assessment of the liquid measurement accuracy attained at San Nicolas Island (SNI) is presented. The vapor and liquid water data shown were computed from the radiometric brightness temperatures using statistical retrieval algorithms. The retrieval coefficients were derived from the 69 soundings made by Colorado State University during the SNI observations. Sources of error in the vapor and liquid measurements include cross-talk in the retrieval algorithms (not a factor at low liquid contents), uncertainties in the brightness temperature measurement, and uncertainties in the vapor and liquid attenuation coefficients. The relative importance of these errors is discussed. For the retrieval of path-integrated liquid water, the greatest uncertainty is caused by the temperature dependence of the absorption at microwave frequencies. As a result, the accuracy of statistical retrieval of liquid depends to large measure upon how representative the a priori radiosonde data are of the conditions prevailing during the measurements. The microwave radiometer measurements at SNI were supplemented by an infrared (IR) radiometer modified for measurement of cloud-base temperature. Thus

  20. Membrane vesicles in sea water: heterogeneous DNA content and implications for viral abundance estimates.

    PubMed

    Biller, Steven J; McDaniel, Lauren D; Breitbart, Mya; Rogers, Everett; Paul, John H; Chisholm, Sallie W

    2017-02-01

    Diverse microbes release membrane-bound extracellular vesicles from their outer surfaces into the surrounding environment. Vesicles are found in numerous habitats including the oceans, where they likely have a variety of functional roles in microbial ecosystems. Extracellular vesicles are known to contain a range of biomolecules including DNA, but the frequency with which DNA is packaged in vesicles is unknown. Here, we examine the quantity and distribution of DNA associated with vesicles released from five different bacteria. The average quantity of double-stranded DNA and size distribution of DNA fragments released within vesicles varies among different taxa. Although some vesicles contain sufficient DNA to be visible following staining with the SYBR fluorescent DNA dyes typically used to enumerate viruses, this represents only a small proportion (<0.01-1%) of vesicles. Thus DNA is packaged heterogeneously within vesicle populations, and it appears that vesicles are likely to be a minor component of SYBR-visible particles in natural sea water compared with viruses. Consistent with this hypothesis, chloroform treatment of coastal and offshore seawater samples reveals that vesicles increase epifluorescence-based particle (viral) counts by less than an order of magnitude and their impact is variable in space and time.

  1. Infrequent transitions between saline and fresh waters in one of the most abundant microbial lineages (SAR11).

    PubMed

    Logares, Ramiro; Bråte, Jon; Heinrich, Friederike; Shalchian-Tabrizi, Kamran; Bertilsson, Stefan

    2010-02-01

    The aquatic bacterial group SAR11 is one of the most abundant organisms on Earth, with an estimated global population size of 2.4 x 10(28) cells in the oceans. Members of SAR11 have also been detected in brackish and fresh waters, but the evolutionary relationships between the species present in the different environments have been ambiguous. In particular, it was not clear how frequently this lineage has crossed the saline-freshwater boundary during its evolutionary diversification. Due to the huge population size of SAR11 and the potential of microbes for long-distance dispersal, we hypothesized that environmental transitions could have occurred repeatedly during the evolutionary diversification of this group. Here, we have constructed extensive 16S rDNA-based molecular phylogenies and undertaken metagenomic data analyses to assess the frequency of saline-freshwater transitions in SAR11 and to investigate the evolutionary implications of this process. Our analyses indicated that very few saline-freshwater transitions occurred during the evolutionary diversification of SAR11, generating genetically distinct saline and freshwater lineages that do not appear to exchange genes extensively via horizontal gene transfer. In contrast to lineages from saline environments, extant freshwater taxa from diverse, and sometimes distant, geographic locations were very closely related. This points to a rapid diversification and dispersal in fresh waters or to slower evolutionary rates in fresh water SAR11 when compared with marine counterparts. In addition, the colonization of both saline and fresh waters appears to have occurred early in the evolution of SAR11. We conclude that the different biogeochemical conditions that prevail in saline and fresh waters have likely prevented the environmental transitions in SAR11, promoting the evolution of clearly distinct lineages in each environment.

  2. Nimbus 7 SMMR derived seasonal variations in the water vapor, liquid water, and surface winds over the global oceans

    NASA Technical Reports Server (NTRS)

    Prabhakara, C.; Short, D. A.

    1984-01-01

    A study based on monthly mean maps of atmospheric water vapor, liquid water, and surface wind derived from Nimbus-7 SMMR over the oceans for 13 months, is examined. A discussion of the retrieval technique used to derive the parameters is presented. The seasonal changes in the strength and position of several of the parameter features are revealed by the December 1978 and June 1979 maps. Zonal averages of the water vapor, liquid water, and surface wind for December and June are compared with information derived from conventional measurements and the results are presented in graphs.

  3. The structure of graphene oxide membranes in liquid water, ethanol and water-ethanol mixtures.

    PubMed

    Talyzin, Alexandr V; Hausmaninger, Tomas; You, Shujie; Szabó, Tamás

    2014-01-07

    The structure of graphene oxide (GO) membranes was studied in situ in liquid solvents using synchrotron radiation X-ray diffraction in a broad temperature interval. GO membranes are hydrated by water similarly to precursor graphite oxide powders but intercalation of alcohols is strongly hindered, which explains why the GO membranes are permeated by water and not by ethanol. Insertion of ethanol into the membrane structure is limited to only one monolayer in the whole studied temperature range, in contrast to precursor graphite oxide powders, which are intercalated with up to two ethanol monolayers (Brodie) and four ethanol monolayers (Hummers). As a result, GO membranes demonstrate the absence of "negative thermal expansion" and phase transitions connected to insertion/de-insertion of alcohols upon temperature variations reported earlier for graphite oxide powders. Therefore, GO membranes are a distinct type of material with unique solvation properties compared to parent graphite oxides even if they are composed of the same graphene oxide flakes.

  4. Another glimpse over the salting-out assisted liquid-liquid extraction in acetonitrile/water mixtures.

    PubMed

    Valente, Inês Maria; Gonçalves, Luís Moreira; Rodrigues, José António

    2013-09-20

    The use of the salting-out effect in analytical chemistry is very diverse and can be applied to increase the volatility of the analytes in headspace extractions, to cause the precipitation of proteins in biological samples or to improve the recoveries in liquid-liquid extractions. In the latter, the salting-out process can be used to create a phase separation between water-miscible organic solvents and water. Salting-out assisted liquid-liquid extraction (SALLE) is an advantageous sample preparation technique aiming HPLC-UV analysis when developing analytical methodologies. In fact, some new extraction methodologies like QuEChERS include the SALLE concept. This manuscript discusses another point of view over SALLE with particular emphasis over acetonitrile-water mixtures for HPLC-UV analysis; the influence of the salting-out agents, their concentration and the water-acetonitrile volume ratios were the studied parameters. α-dicarbonyl compounds and beer were used as test analytes and test samples, respectively. The influence of the studied parameters was characterized by the obtained phase separation volume ratio and the fraction of α-dicarbonyls extracted to the acetonitrile phase. Results allowed the distribution of salts within three groups according to the phase separation and their extractability: (1) chlorides and acetates, (2) carbonates and sulfates and (3) magnesium sulfate; of all tested salts, sodium chloride had the highest influence on the α-dicarbonyls fraction extracted.

  5. Temperature dependence of local solubility of hydrophobic molecules in the liquid-vapor interface of water.

    PubMed

    Abe, Kiharu; Sumi, Tomonari; Koga, Kenichiro

    2014-11-14

    One important aspect of the hydrophobic effect is that solubility of small, nonpolar molecules in liquid water decreases with increasing temperature. We investigate here how the characteristic temperature dependence in liquid water persists or changes in the vicinity of the liquid-vapor interface. From the molecular dynamics simulation and the test-particle insertion method, the local solubility Σ of methane in the liquid-vapor interface of water as well as Σ of nonpolar solutes in the interface of simple liquids are calculated as a function of the distance z from the interface. We then examine the temperature dependence of Σ under two conditions: variation of Σ at fixed position z and that at fixed local solvent density around the solute molecule. It is found that the temperature dependence of Σ at fixed z depends on the position z and the system, whereas Σ at fixed local density decreases with increasing temperature for all the model solutions at any fixed density between vapor and liquid phases. The monotonic decrease of Σ under the fixed-density condition in the liquid-vapor interface is in accord with what we know for the solubility of nonpolar molecules in bulk liquid water under the fixed-volume condition but it is much robust since the solvent density to be fixed can be anything between the coexisting vapor and liquid phases. A unique feature found in the water interface is that there is a minimum in the local solubility profile Σ(z) on the liquid side of the interface. We find that with decreasing temperature the minimum of Σ grows and at the same time the first peak in the oscillatory density profile of water develops. It is likely that the minimum of Σ is due to the layering structure of the free interface of water.

  6. Determination of pyrazon residues in water by reversed phase high performance liquid chromatography.

    PubMed

    Ahmad, I

    1982-01-01

    A simple analytical method is described for the quantitative determination of pyrazon residues in water. It involves high performance liquid chromatography with ultraviolet detection at 270 nm. The procedure is used to determine 2 ppb to 1 ppm levels of pyrazon in water. The traditional liquid-liquid extraction method has been replaced by an adsorption-trapping method for the extraction of pyrazon. Average recovery of pyrazon from the laboratory spiked samples was 98.1%. The method can be used for water samples with concentrations as low as 2 ppb.

  7. Solvated water molecules and hydrogen-bridged networks in liquid water

    NASA Astrophysics Data System (ADS)

    Corongiu, Giorgina; Clementi, Enrico

    1993-02-01

    We have analyzed the molecular-dynamics (MD) trajectories for the oxygen and hydrogen atoms of liquid water, at six temperatures (from hot, T=361 K, to supercooled water, T=242 K); in the MD simulations the Nieser-Corongiu-Clementi ab initio potential has been used, since it yields reliable x-ray and neutron-diffraction data as well as infrared, Raman, and neutron-scattering spectra. Our analysis leads to two complementary models where we can consider each water as a solvated molecule (placed at the center of a solvation shell) or as a component of a cyclic polymer, a substructure of the hydrogen-bonded network. In the first solvation shell all water molecules are solvated with coordination values in the range 2-8. The most probable solvation number is four, at low temperature, and five at high temperature considering oxygen-oxygen pairs; however, the coordination number is four at all the temperatures if we consider oxygen-hydrogen pairs. The lifetime of the tetra coordinated complexes is the largest one and increases as temperature decreases. The computed population of cyclic polymers is highest for the pentameters in the studied temperature range, the second most probable cyclic structure is for hexamers. The average O-O distances in the liquid are temperature dependent and shorter than those in the gas phase, approaching ice values at low temperature (except for cyclic trimers, for which the O-O distance is nearly temperature independent). As a preliminary result, the lifetime of the polygons is estimated to be around 0.01 ps.

  8. Using nanoscale amorphous solid water films to create and study deeply supercooled liquid water at interfaces

    NASA Astrophysics Data System (ADS)

    Kay, Bruce

    Molecular beam vapor deposition of water on cryogenic substrates is known to produce amorphous solid films. When heated above their glass transition these films transform into deeply supercooled liquid water. These nanoscale liquid films can be used to study kinetic processes such as diffusion, isotope exchange, crystallization, and solvent mediated reactions in unprecedented detail. This talk will highlight our recent advances in this area. My colleagues Yuntao Xu, Chunqing Yuan, Collin Dibble, R. Scott Smith, Nick Petrik, and Greg Kimmel made important contributions to this work.This work was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The research was performed using EMSL, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle, operated for the U.S. DOE under Contract DE-AC05-76RL01830.

  9. Recent progress on earth abundant hydrogen evolution reaction and oxygen evolution reaction bifunctional electrocatalyst for overall water splitting in alkaline media

    NASA Astrophysics Data System (ADS)

    Jamesh, Mohammed Ibrahim

    2016-11-01

    Electrochemical water-splitting is one of the promising ways for producing clean chemical fuel (Hydrogen) while cheap-earth-abundant-bifunctional-electrocatalyst is one of the possible way for improving the overall cost efficiency of water-splitting. This paper reviews the chemical state, hydrogen and oxygen evolution reaction activity in alkaline media, overall water-splitting performance in alkaline media, stability, and possible-factors for improving its efficiency of various kinds of recently reported electrocatalyst such as Ni-P, Co-P, Ni-Co-P, graphene-Co-P, O/N/C-Co/Ni, Ni-S, B-Ni/Co, Ni-Co, Mo, Se, Fe, Mn/Zn/Ti, and metal-free based earth-abundant-bifunctional-electrocatalyst. This paper also reviews and highlights the remarkable water splitting performance of the earth-abundant-bifunctional-electrocatalyst those exhibit better or well comparable with Pt/C//RuO2.

  10. Libration induced stretching mode excitation for pump-probe spectroscopy in pure liquid water.

    PubMed

    Amir, Wafa; Gallot, Guilhem; Hache, François

    2004-10-22

    We developed an experimental approach to study pure liquid water in the infrared and avoid thermal effects. This technique is based on libration induced stretching excitation of water molecules. A direct correspondence between frequencies within the libration and OH stretching bands is demonstrated. Energy diffusion is studied in pure liquid water by measuring wave packet dynamics of OH stretching vibrator with infrared femtosecond spectroscopy. Wave packet dynamics reveals ultrafast energy dynamics and reflects 130 fs intermolecular energy transfer between water vibrators. Energy diffusion is almost two orders of magnitude faster than self diffusion in water.

  11. Column atmospheric water vapor and vegetation liquid water retrievals from Airborne Imaging Spectrometer data

    NASA Astrophysics Data System (ADS)

    Gao, Bo-Cai; Goetz, Alexander F. H.

    1990-03-01

    simultaneously because the band centers of liquid water in vegetation and the atmospheric water vapor are offset by approximately 0.05 μm.

  12. Low to Extremely Low Water Abundances Measured in Nominally Anhydrous Minerals in Mafic to Granitic Apollo Rock Clasts

    NASA Technical Reports Server (NTRS)

    Simon, J. I.; Christoffersen, R.; Wang, J.; Alexander, C. M. O'D.; Mills, R. D.; Hauri, E. H.

    2017-01-01

    Lunar sample-based volatile studies have focused on assessing the inventory and distribution of water in the Moon. Some have focused on the relatively young mare basalts and pyroclastic glasses, which result from partial melting of the relatively young lunar mantle. Less certain is the water inventory for the oldest materials available, which have the greater potential to record the earliest history of volatiles in the Moon (and thus provide evidence for the "wet" vs. "dry" accretion hypotheses of the Earth-Moon system. Studies of volatiles in ancient lunar rocks have largely focused on apatite. One recent FTIR (Fourier Transform Infrared Radiometer) study of plagioclase reported a relatively "wet" (approximately 320 parts per million) magma for primordial ferroan anorthosites (FANs). Another, a NanoSIMS study of alkali feldspar, reported a "wet" (approximately 1 weight percentage) felsic magma, but due to the differentiation processes required for silicic magmatism in the lunar crust, predicted an essentially "dry" (less than 100 parts per million) bulk Moon. Thus, despite evidence that appears to complicate the early "dry" Moon paradigm, there is no apparent unanimity among the measurements, even those on apatite. This disparity is clearly seen by the order of magnitude different water estimates for lunar "alkali-rich suite rocks" (Fig. 1). Some of the apparent differences may be explained by recent improvements in the apatite-based water estimates that better account for relative compatibilities of OH-, Cl, and F. In the present work, we seek to expand our understanding of the volatile abundances in early formed lunar magmas, their source reservoirs, and to address the potential role that felsic magmas play on the lunar hydrogen budget over time by employing NanoSIMS analysis of nominally anhydrous minerals.

  13. Primitive Liquid Water of the Solar System in an Aqueous Altered Carbonaceous Chondrite

    NASA Technical Reports Server (NTRS)

    Tsuchiyama, A.; Miyake, A.; Kitayama, A.; Matsuno, J.; Takeuchi, A.; Uesugi, K.; Suzuki, Y.; Nakano, T.; Zolensky, M. E.

    2016-01-01

    Non-destructive 3D observations of the aqueous altered CM chondrite Sutter's Mill using scanning imaging x-ray microscopy (SIXM) showed that some of calcite and enstatite grains contain two-phase inclusion, which is most probably composed of liquid water and bubbles. This water should be primitive water responsible for aqueous alteration in an asteroid in the early solar system.

  14. Molecular-dynamics simulation of liquid water with an ab initio flexible water-water interaction potential

    NASA Astrophysics Data System (ADS)

    Lie, G. C.; Clementi, E.

    1986-04-01

    The Matsuoka-Clementi-Yoshimine (MCY) configuration interaction potential for rigid water-water interactions has been extended to include the intramolecular vibrations. The extended potential (MCYL), using no empirical parameters other than the atomic masses, electron charge, and Planck constant, is used in a molecular-dynamics simulation study of the static and dynamic properties of liquid water. Among the properties studied are internal energy, heat capacity, pressure, radial distribution functions, dielectric constant, static structure factor, velocity autocorrelation functions, self-diffusion coefficients, dipole autocorrelation function, and density and current fluctuations. Comparison with experiments is made whenever possible. Most of these properties are found to improve slightly relative to the MCY model. The simulated high-frequency sound mode seems to support the results and interpretation of a recent coherent inelastic neutron scattering experiment.

  15. Hydrocarbon contamination increases the liquid water content of frozen Antarctic soils.

    PubMed

    Siciliano, Steven D; Schafer, Alexis N; Forgeron, Michelle A M; Snape, Ian

    2008-11-15

    We do not yet understand why fuel spills can cause greater damage in polar soils than in temperate soils. The role of water in the freezing environment may partly be responsible for why polar soils are more sensitive to pollution. We hypothesized that hydrocarbons alter the liquid water in frozen soil, and we evaluated this hypothesis by conducting laboratory and field experiments at Casey Station, Antarctica. Liquid water content in frozen soils (theta(liquid)) was estimated by time domain reflectometry in laboratory, field collected soils, and in situ field measurements. Our results demonstrate an increase in liquid water associated with hydrocarbon contamination in frozen soils. The dependence of theta(liquid) on aged fuel and spiked fuel were almost identical,with a slope of 2.6 x 10(-6) mg TPH (total petroleum hydrocarbons) kg(-1) for aged fuel and 3.1 x 10(-6) mg TPH kg(-1) for spiked fuel. In situ measurements found theta(liquid) depends, r2 = 0.75, on fuel for silt loam soils (theta(liquid) = 0.094 + 7.8 x 10(-6) mg TPH kg(-1)) but not on fuel for silt clay loam soils. In our study, theta(liquid) doubled in field soils and quadrupled in laboratory soils contaminated with diesel which may have profound implications on frost heave models in contaminated soils.

  16. Coating permits use of strain gage in water and liquid hydrogen

    NASA Technical Reports Server (NTRS)

    Berven, B. B.

    1966-01-01

    Strain gage installation covered with a three-layer coating of commercial materials makes measurements in water and liquid hydrogen. It consists of a selected foil strain gage bonded with a modified commercial heat-curring epoxy cement. The outer protective layer of the gage installation may develop cracks when immersed in liquid hydrogen.

  17. Widom line and the liquid-liquid critical point for the TIP4P/2005 water model.

    PubMed

    Abascal, José L F; Vega, Carlos

    2010-12-21

    The Widom line and the liquid-liquid critical point of water in the deeply supercooled region are investigated via computer simulation of the TIP4P/2005 model. The Widom line has been calculated as the locus of compressibility maxima. It is quite close to the experimental homogeneous nucleation line and, in the region studied, it is almost parallel to the curve of temperatures of maximum density at fixed pressure. The critical temperature is determined by examining which isotherm has a region with flat slope. An interpolation in the Widom line gives the rest of the critical parameters. The computed critical parameters are T(c)=193 K, p(c)=1350 bar, and ρ(c)=1.012 g/cm(3). Given the performance of the model for the anomalous properties of water and for the properties of ice phases, the calculated critical parameters are probably close to those of real water.

  18. Tailored ionic liquid-based surfactants for the formation of microemulsions with water and a hydrophobic ionic liquid.

    PubMed

    Porada, Jan H; Zauser, Diana; Feucht, Birgit; Stubenrauch, Cosima

    2016-08-14

    Microemulsions (μe) with water and a hydrophobic ionic liquid (IL) usually require 45-60 wt% surfactant to solubilize equal amounts of water and IL. To increase the efficiency we designed a new class of surfactants by combining a hydrophilic but IL-ophobic carbohydrate-based part with a hydrophobic but IL-ophilic IL-based part. These surfactants allow formulating microemulsions with 20 wt% surfactant only which opens up a new arena for efficient water-IL μes.

  19. Glass transition of aqueous solutions involving annealing-induced ice recrystallization resolves liquid-liquid transition puzzle of water.

    PubMed

    Zhao, Li-Shan; Cao, Ze-Xian; Wang, Qiang

    2015-10-27

    Liquid-liquid transition of water is an important concept in condensed-matter physics. Recently, it was claimed to have been confirmed in aqueous solutions based on annealing-induced upshift of glass-liquid transition temperature, T(g) . Here we report a universal water-content, X(aqu) , dependence of T(g) for aqueous solutions. Solutions with X(aqu)>X(cr)(aqu)vitrify/devitrify at a constant temperature, ~T(g) , referring to freeze-concentrated phase with X(aqu)left behind ice crystallization. Those solutions with X(aqu)liquid II phase of water'. Our work also provides a reliable method to determine hydration formula and to scrutinize solute-solvent interaction in solution.

  20. Hydrothermal decomposition of liquid crystal in subcritical water.

    PubMed

    Zhuang, Xuning; He, Wenzhi; Li, Guangming; Huang, Juwen; Lu, Shangming; Hou, Lianjiao

    2014-04-30

    Treatment of liquid crystal has important significance for the environment protection and human health. This study proposed a hydrothermal process to decompose the liquid crystal of 4-octoxy-4'-cyanobiphenyl. Experiments were conducted with a 5.7 mL stainless tube reactor and heated by a salt-bath. Factors affecting the decomposition rate of 4-octoxy-4'-cyanobiphenyl were evaluated with HPLC. The decomposed liquid products were characterized by GC-MS. Under optimized conditions i.e., 0.2 mL H2O2 supply, pH value 6, temperature 275°C and reaction time 5 min, 97.6% of 4-octoxy-4'-cyanobiphenyl was decomposed into simple and environment-friendly products. Based on the mechanism analysis and products characterization, a possible hydrothermal decomposition pathway was proposed. The results indicate that hydrothermal technology is a promising choice for liquid crystal treatment.

  1. IDENTIFICATION OF POLAR DRINKING WATER DISINFECTION BY-PRODUCTS USING LIQUID CHROMATOGRAPHY - MASS SPECTROMETRY

    EPA Science Inventory

    A qualitative method using 2,4-dinitrophenylhydrazine (DNPH) derivatization followed by analysis with liquid chromatography (LC)/negative ion-electrospray mass spectrometry (MS) was developed for identifying polar aldehydes and ketones in ozonated drinking water. This method offe...

  2. Process for hydrogen isotope concentration between liquid water and hydrogen gas

    DOEpatents

    Stevens, William H.

    1976-09-21

    A process for hydrogen isotope exchange and concentration between liquid water and hydrogen gas, wherein liquid water and hydrogen gas are contacted, in an exchange section, with one another and with at least one catalyst body comprising at least one metal selected from Group VIII of the Periodic Table and preferably a support therefor, the catalyst body has a liquid-water-repellent, gas permeable polymer or organic resin coating, preferably a fluorinated olefin polymer or silicone coating, so that the isotope concentration takes place by two simultaneously occurring steps, namely, ##EQU1## WHILE THE HYDROGEN GAS FED TO THE EXCHANGE SECTION IS DERIVED IN A REACTOR VESSEL FROM LIQUID WATER THAT HAS PASSED THROUGH THE EXCHANGE SECTION.

  3. Ab initio calculation of the electronic absorption spectrum of liquid water

    SciTech Connect

    Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa

    2014-04-28

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O–H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  4. Ab initio calculation of the electronic absorption spectrum of liquid water.

    PubMed

    Martiniano, Hugo F M C; Galamba, Nuno; Cabral, Benedito J Costa

    2014-04-28

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O-H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  5. Premelted liquid water in frozen soils and its interaction with bio-molecules

    NASA Astrophysics Data System (ADS)

    Hansen-Goos, H.; Wettlaufer, J. S.

    2011-12-01

    While liquid water in bulk is unstable on the surface of Mars, there is a possibility for the persistence of thin films of liquid water in the Martian regolith as a result of interfacial forces between the interstitial ice and the soil grains even below the bulk melting temperature. This is referred to as premelting. We present a calculation of the liquid fraction of frozen soils which takes into account premelting in combination with the effect of ionic impurities and the curvature induced freezing point depression (Gibbs-Thomson effect). We introduce a revised density functional theory which accurately treats a simple model for confined liquid water. We use the theory to study how biological matter (antifreeze proteins in particular) inside a narrow liquid cavity in ice interacts with the surrounding ice-water interface. Because in this case the interface is concave and hence the Gibbs-Thomson effect is antagonistic to the liquid phase, the protein-ice interaction is responsible for the persistence of liquid water.

  6. Ab initio calculation of the electronic absorption spectrum of liquid water

    NASA Astrophysics Data System (ADS)

    Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa

    2014-04-01

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O-H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  7. Ice or liquid water in the Martian regolith. Morphologic indicators from rampart craters

    NASA Technical Reports Server (NTRS)

    Mouginismark, P. J.

    1987-01-01

    The morphology of ejecta blankets around certain Martian craters carries implications for volatiles in either the Martian crust or the atmosphere or both. The evidence that rampart crater ejecta can be used to infer the physical condition of volatiles in target rocks at the time of impact is reviewed. It was concluded that ice, and not liquid water, was the main volatile state, although rare examples also suggest the presence of liquid water at the time the craters were formed.

  8. Response to ``Comment on `Isotope effects in liquid water by infrared spectroscopy. IV. No free OH groups in liquid water''' [J. Chem. Phys. 135, 117101 (2011)

    NASA Astrophysics Data System (ADS)

    Max, Jean-Joseph; Chapados, Camille

    2011-09-01

    The original infrared spectra in the OH stretch region that Riemenschneider and Ludwig (thereafter, RL) have obtained for pure water and aqueous salt solutions are very similar to what we have previously reported [J.-J. Max and C. Chapados, J. Chem. Phys. 115, 6803 (2001)]. In our 2010 paper, we claimed that "free" OH is not present in pure liquid water. The difference spectra from the salt solutions and pure water spectrum give small negative components situated near 3655 cm-1. Because this position is in the range where free OH groups should absorb RL assigned the negative peaks to free OH removed from pure water. That is, RL consider that pure liquid water contains free OH groups which are removed in the salt solutions. Obviously, the removal of all free OH present in pure water will produce maximum negative intensities in the difference spectra. In this response, we present unpublished difference spectra between several salt solutions and pure water where negative peaks are higher than that claimed by RL for pure water. Since this is impossible it demonstrates that the assignment proposed by RL to free OH is incorrect. The negative peaks come from the difference between large components that differ a little between salt solutions and pure water [J.-J. Max and C. Chapados, J. Chem. Phys. 115, 6803 (2001)]. Recall that the ionized salts do not absorb but perturb the surrounding water molecules.

  9. Divergent trend in density versus viscosity of ionic liquid/water mixtures: a molecular view from guanidinium ionic liquids.

    PubMed

    Singh, Akhil Pratap; Gardas, Ramesh L; Senapati, Sanjib

    2015-10-14

    Ionic liquids (ILs) have shown great potential in the dissolution and stability of biomolecules when a low-to-moderate quantity of water is added. Hence, determining the thermophysical properties and understanding these novel mixtures at the molecular level are of both fundamental and practical importance. In this context, here we report the synthesis of two nontoxic guanidinium cation based ILs, tetramethylguanidinium benzoate [TMG][BEN] and tetramethylguanidinium salicylate [TMG][SAL], and present a detailed comparison of their thermophysical properties in the presence of water. The results show that the [TMG][SAL]/water mixtures have higher density and higher apparent molar volume, but a lower viscosity and higher compressibility than the [TNG][BEN]/water mixtures. The measured viscosity and compressibility data are explained from ab initio quantum mechanical calculations and liquid-phase molecular dynamics simulations, where salicylate anions of denser [TMG][SAL]/water were found to exist as isolated ions due to intramolecular H-bonding. On the contrary, intermolecular H-bonding among the benzoate anions and their strong tendency to form an extended H-bonding network with water made [TMG][BEN]/water solutions more viscous and less compressible. This study shows the importance of probing these emerging solvents at the molecular-to-atomic level, which could be helpful in their optimal usage for task-specific applications.

  10. Combustion characteristics of nanoaluminum, liquid water, and hydrogen peroxide mixtures

    SciTech Connect

    Sabourin, J.L.; Yetter, R.A.; Risha, G.A.; Son, S.F.; Tappan, B.C.

    2008-08-15

    An experimental investigation of the combustion characteristics of nanoaluminum (nAl), liquid water (H{sub 2}O{sub (l)}), and hydrogen peroxide (H{sub 2}O{sub 2}) mixtures has been conducted. Linear and mass-burning rates as functions of pressure, equivalence ratio ({phi}), and concentration of H{sub 2}O{sub 2} in H{sub 2}O{sub (l)} oxidizing solution are reported. Steady-state burning rates were obtained at room temperature using a windowed pressure vessel over an initial pressure range of 0.24 to 12.4 MPa in argon, using average nAl particle diameters of 38 nm, {phi} from 0.5 to 1.3, and H{sub 2}O{sub 2} concentrations between 0 and 32% by mass. At a nominal pressure of 3.65 MPa, under stoichiometric conditions, mass-burning rates per unit area ranged between 6.93 g/cm{sup 2} s (0% H{sub 2}O{sub 2}) and 37.04 g/cm{sup 2} s (32% H{sub 2}O{sub 2}), which corresponded to linear burning rates of 9.58 and 58.2 cm/s, respectively. Burning rate pressure exponents of 0.44 and 0.38 were found for stoichiometric mixtures at room temperature containing 10 and 25% H{sub 2}O{sub 2}, respectively, up to 5 MPa. Burning rates are reduced above {proportional_to}5 MPa due to the pressurization of interstitial spaces of the packed reactant mixture with argon gas, diluting the fuel and oxidizer mixture. Mass burning rates were not measured above {proportional_to}32% H{sub 2}O{sub 2} due to an anomalous burning phenomena, which caused overpressurization within the quartz sample holder, leading to tube rupture. High-speed imaging displayed fingering or jetting ahead of the normal flame front. Localized pressure measurements were taken along the sample length, determining that the combustion process proceeded as a normal deflagration prior to tube rupture, without significant pressure buildup within the tube. In addition to burning rates, chemical efficiencies of the combustion reaction were determined to be within approximately 10% of the theoretical maximum under all conditions

  11. Inconsistencies in Estimates of Near-Surface Water Abundance are Resolved by the Volcanic Origin of Martian Outflow Channels

    NASA Astrophysics Data System (ADS)

    Leverington, D. W.

    2010-12-01

    A long-standing problem in the study of Mars has been the incompatibility between 1) geochemically-based expectations for low near-surface water abundance; and 2) the large water volumes required of aqueous interpretations of the outflow channels. On the basis of the compositions of SNC meteorites and the current Martian atmosphere, the early water content of Mars has been estimated by several groups to be equivalent to a global layer of ~6 to 200 m thickness, only a proportion of which would have been outgassed to the near-surface environment. In contrast, previous estimates of the minimum near-surface water volume required if the Martian outflow channels formed through aqueous mechanisms are equivalent to a global water layer of 300-500 m thickness, assuming unrealistic sediment loads of 40% and an absence of infiltration or evaporation during flow, and ignoring volumes such as those required of hypothesized cryospheric seals. Under more realistic outflow scenarios, required volumes are likely to be equivalent to an Earth-like global layer of at least several kilometers thickness, even assuming the past operation of a vigorous hydrological cycle. Some workers have suggested that disagreement between geochemical and geomorphological estimates of near-surface water volumes on Mars might be resolved if the amount of water outgassed by the planet was greater than expected, or if especially large volumes of water were contributed to the surface by impacts of volatile-rich bodies late in the heavy bombardment of Mars. However, resolution is instead likely to follow from changes in perspectives regarding outflow channel origins. Though most workers currently accept aqueous interpretations, recent work has indicated that the outflow channels of Mars are very likely to be the products of volcanic processes involving incision by low-viscosity mafic lavas. Volcanic interpretations are consistent with numerous considerations, including the absence of channel deposits of

  12. Bull Trout Distribution and Abundance in the Waters on and Bordering the Warm Springs Reservation : 2002 Annual Report.

    SciTech Connect

    Brun, Christopher V.; Dodson, Rebekah

    2003-03-01

    The range of bull trout (Salvelinus confluentus) in the Deschutes River basin has decreased from historic levels due to many factors including dam construction, habitat degradation, brook trout introduction and eradication efforts. While the bull trout population appears to be healthy in the Metolius River-Lake Billy Chinook system they have been largely extirpated from the upper Deschutes River (Buchanan et al. 1997). Little was known about bull trout in the lower Deschutes basin until BPA funded project No.9405400 began during 1998. In this progress report we describe the findings to date from this multi-year study aimed at determining the life history, habitat needs and limiting factors of bull trout in the lower Deschutes subbasin. Juvenile bull trout and brook trout (Salvelinus fontinalis) relative abundance has been assessed in the Warm Springs River and Shitike Creek since 1999. In the Warm Springs R. the relative densities of juvenile bull trout and brook trout were .003 fish/m{sup 2} and .001 fish/m{sup 2} respectively during 2002. These densities were the lowest recorded in the Warm Springs River during the period of study. In Shitike Cr. the relative densities of juvenile bull trout and brook trout were .025 fish/m{sup 2} and .01 fish/m{sup 2} respectively during 2002. The utility of using index reaches to monitor trends in juvenile bull trout and brook trout relative abundance in the Warm Springs R. has been assessed since 1999. During 2002 the mean relative densities of juvenile bull trout within the 2.4 km study area was higher than what was observed in four index reaches. However, the mean relative densities of brook trout was slightly higher in the index reaches than what was observed in the 2.4 km study area. Habitat use by both juvenile bull trout and brook trout was determined in the Warm Springs R. Juvenile bull trout and brook trout were most abundant in pools and glides. However pools and glides comprised less than 20% of the available habitat

  13. Polymer formulation for removing hydrogen and liquid water from an enclosed space

    DOEpatents

    Shepodd, Timothy J.

    2006-02-21

    This invention describes a solution to the particular problem of liquid water formation in hydrogen getters exposed to quantities of oxygen. Water formation is usually desired because the recombination reaction removes hydrogen without affecting gettering capacity and the oxygen removal reduces the chances for a hydrogen explosion once free oxygen is essentially removed. The present invention describes a getter incorporating a polyacrylate compound that can absorb up to 500% of its own weight in liquid water without significantly affecting its hydrogen gettering/recombination properties, but that also is insensitive to water vapor.

  14. Discharge, water quality, and native fish abundance in the Virgin River, Utah, Nevada, and Arizona, in support of Pah Tempe Springs discharge remediation efforts

    USGS Publications Warehouse

    Miller, Matthew P.; Lambert, Patrick M.; Hardy, Thomas B.

    2014-01-01

    Pah Tempe Springs discharge hot, saline, low dissolved-oxygen water to the Virgin River in southwestern Utah, which is transported downstream to Lake Mead and the Colorado River. The dissolved salts in the Virgin River negatively influence the suitability of this water for downstream agricultural, municipal, and industrial use. Therefore, various remediation scenarios to remove the salt load discharged from Pah Tempe Springs to the Virgin River are being considered. One concern about this load removal is the potential to impact the ecology of the Virgin River. Specifically, information is needed regarding possible impacts of Pah Tempe Springs remediation scenarios on the abundance, distribution, and survival of native fish in the Virgin River. Future efforts that aim to quantitatively assess how various remediation scenarios to reduce the load of dissolved salts from Pah Tempe Springs into the Virgin River may influence the abundance, distribution, and survival of native fish will require data on discharge, water quality, and native fish abundance. This report contains organized accessible discharge, water quality, and native fish abundance data sets from the Virgin River, documents the compilation of these data, and discusses approaches for quantifying relations between abiotic physical and chemical conditions, and fish abundance.

  15. Pressure Effect on the Boson Peak in Deeply Cooled Confined Water: Evidence of a Liquid-Liquid Transition

    DOE PAGES

    Wang, Zhe; Kolesnikov, Alexander I.; Ito, Kanae; ...

    2015-12-03

    We studied the boson peak in deeply cooled water confined in nanopores in order to examine the liquid-liquid transition (LLT). Below ~180 K, the boson peaks at pressures P higher than ~3.5 kbar are evidently distinct from those at low pressures by higher mean frequencies and lower heights. Moreover, the higher-P boson peaks can be rescaled to a master curve while the lower-P boson peaks can be rescaled to a different one. Moreover, these phenomena agree with the existence of two liquid phases with different densities and local structures and the associated LLT in the measured (P, T) region. Additionally,more » the P dependence of the librational band also agrees with the above conclusion.« less

  16. Pressure Effect on the Boson Peak in Deeply Cooled Confined Water: Evidence of a Liquid-Liquid Transition

    SciTech Connect

    Wang, Zhe; Kolesnikov, Alexander I.; Ito, Kanae; Podlesnyak, Andrey; Chen, Sow-Hsin

    2015-12-03

    We studied the boson peak in deeply cooled water confined in nanopores in order to examine the liquid-liquid transition (LLT). Below ~180 K, the boson peaks at pressures P higher than ~3.5 kbar are evidently distinct from those at low pressures by higher mean frequencies and lower heights. Moreover, the higher-P boson peaks can be rescaled to a master curve while the lower-P boson peaks can be rescaled to a different one. Moreover, these phenomena agree with the existence of two liquid phases with different densities and local structures and the associated LLT in the measured (P, T) region. Additionally, the P dependence of the librational band also agrees with the above conclusion.

  17. Determination of organochlorine pesticides in snow water samples by low density solvent based dispersive liquid-liquid microextraction.

    PubMed

    Zhao, Wenting; Li, Jindong; Wu, Tong; Wang, Peng; Zhou, Zhiqiang

    2014-09-01

    A simple, rapid, efficient, and environmentally friendly pretreatment based on a low-density solvent based dispersive liquid-liquid microextraction was developed for determining trace levels of 17 organochlorine pesticides in snow. The parameters affecting the extraction efficiency, such as the type and volume of the extraction and dispersive solvents, extraction time, and salt content, were optimized. The optimized conditions yielded a good performance, with enrichment factors ranging from 271 to 474 and recoveries ranging from 71.4 to 114.5% and relative standard deviations between 1.6 and 14.8%. The detection limits, calculated as three times the signal-to-noise ratio, ranged from 0.02 to 0.11 μg/L. The validated method was used to successfully analyze 17 analytes in snow water samples, overcoming the drawbacks of some existing low-density solvent liquid microextraction methods, which require special devices, large volumes of organic solvents, or complicated operation procedures.

  18. Detection of the liquid-liquid transition in the deeply cooled water confined in MCM-41 with elastic neutron scattering technique

    NASA Astrophysics Data System (ADS)

    Wang, Zhe; Ito, Kanae; Chen, Sow-Hsin

    2016-05-01

    In this paper we present a review on our recent experimental investigations into the phase behavior of the deeply cooled water confined in a nanoporous silica material, MCM-41, with elastic neutron scattering technique. Under such strong confinement, the homogeneous nucleation process of water is avoided, which allows the confined water to keep its liquid state at temperatures and pressures that are inaccessible to the bulk water. By measuring the average density of the confined heavy water, we observe a likely first-order low-density liquid (LDL) to high-density liquid (HDL) transition in the deeply cooled region of the confined heavy water. The phase separation starts from 1.12±0.17{ kbar} and 215±1{ K} and extends to higher pressures and lower temperatures in the phase diagram. This starting point could be the liquid-liquid critical point of the confined water. The locus of the Widom line is also estimated. The observation of the liquid-liquid transition in the confined water has potential to explain the mysterious behaviors of water at low temperatures. In addition, it may also have impacts on other disciplines, because the confined water system represents many biological and geological systems in which water resides in nanoscopic pores or in the vicinity of hydrophilic or hydrophobic surfaces.

  19. Liquid water content and precipitation characteristics of stratiform clouds as inferred from satellite microwave measurements

    SciTech Connect

    Curry, J.A. ); Ardell, C.D. ); Tian, Lin )

    1990-09-20

    In this paper the authors present an analysis of the integrated liquid water content and precipitation characteristics of stratiform clouds using data from the Nimbus 7 Scanning Multichannel Microwave Radiometer (SMMR) for January 1979, over the North Atlantic Ocean (40{degree}-60{degree}N). Concurrent analysis of the SMMR data with the US Air Force 3-Dimensional Nephanalysis (3DNEPH) allows the interpretation of the SMMR-derived liquid water paths and precipitation characteristics in terms of cloud type, cloud fraction, and cloud height. Combining the initialized analyses from the European Center for Medium-Range Weather Forecasting with the 3DNEPH enables vertical temperature and humidity profiles to be incorporated into the retrievals. The interpretation and presentation of results are guided by their implications for the parameterization of liquid water content of layer clouds in large-scale atmospheric models. The average liquid water paths for middle and low clouds were determined to be 115 and 102 g m{sup {minus}2}, respectively, with a maximum value of 1,070 g m{sup {minus}2}. Analysis of the liquid water path as a function of temperature showed that clouds with average temperature below 246 K had little liquid water and were inferred to be predominantly crystalline. Liquid water paths of 350 g m{sup {minus}2} and 500 g m{sup {minus}2} for middle and low clouds, respectively, were determined to be average thresholds for the onset of precipitation. Maximum rain rates for these clouds were determined to be 7 mm h{sup {minus}1}. The autoconversion of cloud water to rain water was determined to occur at a rate of 0.001 s{sup {minus}1}.

  20. Experimentally probing the libration of interfacial water: the rotational potential of water is stiffer at the air/water interface than in bulk liquid.

    PubMed

    Tong, Yujin; Kampfrath, Tobias; Campen, R Kramer

    2016-07-21

    Most properties of liquid water are determined by its hydrogen-bond network. Because forming an aqueous interface requires termination of this network, one might expect the molecular level properties of interfacial water to markedly differ from water in bulk. Intriguingly, much prior experimental and theoretical work has found that, from the perspective of their time-averaged structure and picosecond structural dynamics, hydrogen-bonded OH groups at an air/water interface behave the same as hydrogen-bonded OH groups in bulk liquid water. Here we report the first experimental observation of interfacial water's libration (i.e. frustrated rotation) using the laser-based technique vibrational sum frequency spectroscopy. We find this mode has a frequency of 834 cm(-1), ≈165 cm(-1) higher than in bulk liquid water at the same temperature and similar to bulk ice. Because libration frequency is proportional to the stiffness of water's rotational potential, this increase suggests that one effect of terminating bulk water's hydrogen bonding network at the air/water interface is retarding rotation of water around intact hydrogen bonds. Because in bulk liquid water the libration plays a key role in stabilizing reaction intermediates and dissipating excess vibrational energy, we expect the ability to probe this mode in interfacial water to open new perspectives on the kinetics of heterogeneous reactions at aqueous interfaces.

  1. Density fluctuations and dielectric constant of water in low and high density liquid states

    NASA Astrophysics Data System (ADS)

    Lascaris, Erik; Zhang, Cui; Galli, Giulia A.; Franzese, Giancarlo; Stanley, H. Eugene

    2012-02-01

    The hypothesis of a liquid-liquid critical point (LLCP) in the phase diagram of water, though first published many years ago, still remains the subject of a heated debate. According to this hypothesis there exists a critical point near T 244 K, and P 215 MPa, located at the end of a coexistence line between a high density liquid (HDL) and a low density liquid state (LDL). The LLCP lies below the homogenous nucleation temperature of water and it has so far remained inaccessible to experiments. We study a model of water exhibiting a liquid-liquid phase transition (that is a liquid interacting through the ST2 potential) and investigate the properties of dipolar fluctuations as a function of density, in the HDL and LDL. We find an interesting correlation between the macroscopic dielectric constants and the densities of the two liquids in the vicinity of the critical point, and we discuss possible implications for measurements close to the region where the LLCP may be located.

  2. Simulation of water vapor condensation on LOX droplet surface using liquid nitrogen

    NASA Technical Reports Server (NTRS)

    Powell, Eugene A.

    1988-01-01

    The formation of ice or water layers on liquid oxygen (LOX) droplets in the Space Shuttle Main Engine (SSME) environment was investigated. Formulation of such ice/water layers is indicated by phase-equilibrium considerations under conditions of high partial pressure of water vapor (steam) and low LOX droplet temperature prevailing in the SSME preburner or main chamber. An experimental investigation was begun using liquid nitrogen as a LOX simulant. A monodisperse liquid nitrogen droplet generator was developed which uses an acoustic driver to force the stream of liquid emerging from a capillary tube to break up into a stream of regularly space uniformly sized spherical droplets. The atmospheric pressure liquid nitrogen in the droplet generator reservoir was cooled below its boiling point to prevent two phase flow from occurring in the capillary tube. An existing steam chamber was modified for injection of liquid nitrogen droplets into atmospheric pressure superheated steam. The droplets were imaged using a stroboscopic video system and a laser shadowgraphy system. Several tests were conducted in which liquid nitrogen droplets were injected into the steam chamber. Under conditions of periodic droplet formation, images of 600 micron diameter liquid nitrogen droplets were obtained with the stroboscopic video systems.

  3. Ionic liquid-based microwave-assisted dispersive liquid-liquid microextraction and derivatization of sulfonamides in river water, honey, milk, and animal plasma.

    PubMed

    Xu, Xu; Su, Rui; Zhao, Xin; Liu, Zhuang; Zhang, Yupu; Li, Dan; Li, Xueyuan; Zhang, Hanqi; Wang, Ziming

    2011-11-30

    The ionic liquid-based microwave-assisted dispersive liquid-liquid microextraction (IL-based MADLLME) and derivatization was applied for the pretreatment of six sulfonamides (SAs) prior to the determination by high-performance liquid chromatography (HPLC). By adding methanol (disperser), fluorescamine solution (derivatization reagent) and ionic liquid (extraction solvent) into sample, extraction, derivatization, and preconcentration were continuously performed. Several experimental parameters, such as the type and volume of extraction solvent, the type and volume of disperser, amount of derivatization reagent, microwave power, microwave irradiation time, pH of sample solution, and ionic strength were investigated and optimized. When the microwave power was 240 W, the analytes could be derivatized and extracted simultaneously within 90 s. The proposed method was applied to the analysis of river water, honey, milk, and pig plasma samples, and the recoveries of analytes obtained were in the range of 95.0-110.8, 95.4-106.3, 95.0-108.3, and 95.7-107.7, respectively. The relative standard deviations varied between 1.5% and 7.3% (n=5). The results showed that the proposed method was a rapid, convenient and feasible method for the determination of SAs in liquid samples.

  4. Molecular dynamics simulation of the behaviour of water in nano-confined ionic liquid-water mixtures

    NASA Astrophysics Data System (ADS)

    Docampo-Álvarez, B.; Gómez-González, V.; Montes-Campos, H.; Otero-Mato, J. M.; Méndez-Morales, T.; Cabeza, O.; Gallego, L. J.; Lynden-Bell, R. M.; Ivaništšev, V. B.; Fedorov, M. V.; Varela, L. M.

    2016-11-01

    This work describes the behaviour of water molecules in 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid under nanoconfinement, between graphene sheets. By means of molecular dynamics simulations, the adsorption of water molecules at the graphene surface is studied. A depletion of water molecules in the vicinity of the neutral and negatively charged graphene surfaces, and their adsorption at the positively charged surface are observed in line with the preferential hydration of the ionic liquid anions. The findings are appropriately described using a two-level statistical model. The confinement effect on the structure and dynamics of the mixtures is thoroughly analyzed using the density and the potential of mean force profiles, as well as by the vibrational densities of the states of water molecules near the graphene surface. The orientation of water molecules and the water-induced structural transitions in the layer closest to the graphene surface are also discussed.

  5. Case Studies of Water Vapor and Surface Liquid Water from AVIRIS Data Measured Over Denver, CO and Death Valley, CA

    NASA Technical Reports Server (NTRS)

    Gao, B.-C.; Kierein-Young, K. S.; Goetz, A. F. H.; Westwater, E. R.; Stankov, B. B.; Birkenheuer, D.

    1991-01-01

    High spatial resolution column atmospheric water vapor amounts and equivalent liquid water thicknesses of surface targets are retrieved from spectral data collected by the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS). The retrievals are made using a nonlinear least squares curve fitting technique. Two case studies from AVIRIS data acquired over Denver-Platteville area, Colorado and over Death Valley, California are presented. The column water vapor values derived from AVIRIS data over the Denver-Platteville area are compared with those obtained from radiosondes, ground level upward-looking microwave radiometers, and geostationary satellite measurements. The column water vapor image shows spatial variation patterns related to the passage of a weather front system. The column water vapor amounts derived from AVIRIS data over Death Valley decrease with increasing surface elevation. The derived liquid water image clearly shows surface drainage patterns.

  6. The vibrational spectrum of water in liquid alkanes.

    PubMed Central

    Conrad, M P; Strauss, H L

    1985-01-01

    The water wire hypothesis of hydrogen-ion transport in lipid bilayers has prompted a search for water aggregates in bulk hydrocarbons. The asymmetric stretching vibration of the water dissolved in n-decane and in a number of other alkanes and alkenes has been observed. The water band in the alkanes is very wide and fits to the results of a J-diffusion calculation for the water rotation. This implies that the water is freely rotating between collisions with the solvent and certainly not hydrogen bonded to anything. The existence of water aggregates is thus most unlikely. In contrast, water in an alkene is hydrogen bonded to the solvent molecules (although not to other water molecules) and shows an entirely different spectrum. PMID:4016205

  7. Three types of liquid water in icy surfaces of celestial bodies

    NASA Astrophysics Data System (ADS)

    Möhlmann, D.

    2011-08-01

    It is shown that, at temperatures far below the triple point and under appropriate conditions, liquid water can stably or temporarily exist in upper ice-covered surfaces of planetary bodies (like Mars) in three different types: undercooled interfacial water (due to freezing point depression by van der Waals forces and "premelting"), water in brines (due to freezing point depression in solutions), and sub-surface melt water (due to a solid-state greenhouse effect driven heating). The physics behind and the related conditions for these liquid waters to evolve and to exist, and possibly related consequences, are discussed. These calculations are mainly made in view of the possible presence of these sub-surface liquids in the upper surface of the present Mars.

  8. Selective extraction of copper, mercury, silver and palladium ionsfrom water using hydrophobic ionic liquids.

    SciTech Connect

    Papaiconomou, Nicolas; Lee, Jong-Min; Salminen, Justin; VonStosch, Moritz; Prausnitz, John M.

    2007-06-25

    Extraction of dilute metal ions from water was performed near room temperature with a variety of ionic liquids. Distribution coefficients are reported for fourteen metal ions extracted with ionic liquids containing cations 1-octyl-4-methylpyridinium [4MOPYR]{sup +}, 1-methyl-1-octylpyrrolidinium [MOPYRRO]{sup +} or 1-methyl-1-octylpiperidinium [MOPIP]{sup +}, and anions tetrafluoroborate [BF{sub 4}]{sup +}, trifluoromethyl sulfonate [TfO]{sup +} or nonafluorobutyl sulfonate [NfO]{sup +}. Ionic liquids containing octylpyridinium cations are very good for extracting mercury ions. However, other metal ions were not significantly extracted by any of these ionic liquids. Extractions were also performed with four new task-specific ionic liquids. Such liquids containing a disulfide functional group are efficient and selective for mercury and copper, whereas those containing a nitrile functional group are efficient and selective for silver and palladium.

  9. Two-Phase Model of Liquid-Liquid Interactions With Interface Capturing: Application to Water Assisted Injection Molding

    NASA Astrophysics Data System (ADS)

    Silva, Luisa; Lanrivain, Rodolphe; Zerguine, Walid; Rodriguez-Villa, Andrès; Coupez, Thierry

    2007-05-01

    In this paper, a two phase model to compute liquid-liquid flows is presented. We consider that one phase is a highly viscous thermodependent liquid (polymer phase), whereas the second one is a low viscosity low temperature fluid (water). The first part of this paper concerns capture of the interface between the water and the polymer (or determination of the phase field function). Classical VOF and Level set techniques have been implemented and were ameliorated using mesh adaptation techniques. To accurately determine the velocity field, a two-phase formulation is considered, based in the theory of mixtures, and we introduce a scalar parameter, the phase fraction quantifying the presence of each phase in each point of the computational domain. A friction type coupling between both phases is retained. Using the mixed finite element method within an eulerian framework, we calculate in a single system the whole kinematic variables for both liquids (velocity and pressure of each phase). Results are shown, for 2D and 3D parts.

  10. Can liquid water profiles be retrieved from passive microwave zenith observations?

    NASA Astrophysics Data System (ADS)

    Crewell, Susanne; Ebell, Kerstin; Löhnert, Ulrich; Turner, D. D.

    2009-03-01

    The ability to determine the cloud boundaries and vertical distribution of cloud liquid water for single-layer liquid clouds using zenith-pointing microwave radiometers is investigated. Simulations are used to demonstrate that there is little skill in determining either cloud base or cloud thickness, especially when the cloud thickness is less than 500 m. It is also shown that the different distributions of liquid water content within a cloud with known cloud boundaries results in a maximum change in the brightness temperature of less than 1 K at the surface from 20 to 150 GHz, which is on the order of the instrument noise level. Furthermore, it is demonstrated using the averaging kernel that the number of degrees of freedom for signal (i.e., independent pieces of information) is approximately 1, which implies there is no information on vertical distribution of liquid water in the microwave observations.

  11. Liquid Water Cloud Measurements Using the Raman Lidar Technique: Current Understanding and Future Research Needs

    NASA Technical Reports Server (NTRS)

    Tetsu, Sakai; Whiteman, David N.; Russo, Felicita; Turner, David D.; Veselovskii, Igor; Melfi, S. Harvey; Nagai, Tomohiro; Mano, Yuzo

    2013-01-01

    This paper describes recent work in the Raman lidar liquid water cloud measurement technique. The range-resolved spectral measurements at the National Aeronautics and Space Administration Goddard Space Flight Center indicate that the Raman backscattering spectra measured in and below low clouds agree well with theoretical spectra for vapor and liquid water. The calibration coefficients of the liquid water measurement for the Raman lidar at the Atmospheric Radiation Measurement Program Southern Great Plains site of the U.S. Department of Energy were determined by comparison with the liquid water path (LWP) obtained with Atmospheric Emitted Radiance Interferometer (AERI) and the liquid water content (LWC) obtained with the millimeter wavelength cloud radar and water vapor radiometer (MMCR-WVR) together. These comparisons were used to estimate the Raman liquid water cross-sectional value. The results indicate a bias consistent with an effective liquid water Raman cross-sectional value that is 28%-46% lower than published, which may be explained by the fact that the difference in the detectors' sensitivity has not been accounted for. The LWP of a thin altostratus cloud showed good qualitative agreement between lidar retrievals and AERI. However, the overall ensemble of comparisons of LWP showed considerable scatter, possibly because of the different fields of view of the instruments, the 350-m distance between the instruments, and the horizontal inhomogeneity of the clouds. The LWC profiles for a thick stratus cloud showed agreement between lidar retrievals andMMCR-WVR between the cloud base and 150m above that where the optical depth was less than 3. Areas requiring further research in this technique are discussed.

  12. Determination of 5-Bromo-2’-Deoxyuridine (BrdU) in Well Water by High Performance Liquid Chromatography (HPLC)

    DTIC Science & Technology

    1992-09-01

    HIGH PERFORMANCE LIQUID CHROMATOGRAPHY (HPLC...Securrty Classification) Determination of 5-Bromo-2’-Deoxyuridine (BrdU) in Well Water by High Performance Liquid Chromatography (hPLC) 12. PERSONAL...PLOT OF BrdU STABILITY VERSUS TIME ....................... 10 ii DETERMINATION OF 5-BROMO-2’-DEOXY-URIDINE (BrdU) IN WELL WATER BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY

  13. Screen-printed electrode based electrochemical detector coupled with ionic liquid dispersive liquid-liquid microextraction and microvolume back-extraction for determination of mercury in water samples.

    PubMed

    Fernández, Elena; Vidal, Lorena; Martín-Yerga, Daniel; Blanco, María del Carmen; Canals, Antonio; Costa-García, Agustín

    2015-04-01

    A novel approach is presented, whereby gold nanostructured screen-printed carbon electrodes (SPCnAuEs) are combined with in-situ ionic liquid formation dispersive liquid-liquid microextraction (in-situ IL-DLLME) and microvolume back-extraction for the determination of mercury in water samples. In-situ IL-DLLME is based on a simple metathesis reaction between a water-miscible IL and a salt to form a water-immiscible IL into sample solution. Mercury complex with ammonium pyrrolidinedithiocarbamate is extracted from sample solution into the water-immiscible IL formed in-situ. Then, an ultrasound-assisted procedure is employed to back-extract the mercury into 10 µL of a 4 M HCl aqueous solution, which is finally analyzed using SPCnAuEs. Sample preparation methodology was optimized using a multivariate optimization strategy. Under optimized conditions, a linear range between 0.5 and 10 µg L(-1) was obtained with a correlation coefficient of 0.997 for six calibration points. The limit of detection obtained was 0.2 µg L(-1), which is lower than the threshold value established by the Environmental Protection Agency and European Union (i.e., 2 µg L(-1) and 1 µg L(-1), respectively). The repeatability of the proposed method was evaluated at two different spiking levels (3 and 10 µg L(-1)) and a coefficient of variation of 13% was obtained in both cases. The performance of the proposed methodology was evaluated in real-world water samples including tap water, bottled water, river water and industrial wastewater. Relative recoveries between 95% and 108% were obtained.

  14. Synergistic conversion of glucose into 5-hydroxymethylfurfural in ionic liquid-water mixtures.

    PubMed

    Qi, Xinhua; Watanabe, Masaru; Aida, Taku M; Smith, Richard L

    2012-04-01

    A method for converting glucose into 5-hydroxymethylfurfural (5-HMF) without using chromium-containing catalysts was developed. The method uses ionic liquid-water mixtures with a ZrO(2) catalyst. Addition of a certain amount of water (10-50 wt.%) into the 1,3-dialkylimidazolium chloride ionic liquid promoted the formation of 5-HMF from glucose compared with that in either pure water or in the pure ionic liquid. A 5-HMF yield of 53% was obtained within 10 min at 200 °C in a 50:50 w/w% 1-hexyl-3-methyl imidazolium chloride-water mixture in the presence of ZrO(2). The 1,3-dialkylimidazolium ionic liquids having Cl(-) or HSO(4)(-) anions were effective for promoting 5-HMF formation. Addition of protic solvents such as methanol and ethanol to the ionic liquid had a similar synergistic effect as water and promoted fructose and 5-HMF formation. The results reported in this work can be extended to other fields, where the ratio of ionic liquid and protic solvent can be adjusted to promote the desired reactions.

  15. A Convolution Algorithm of Differential Coefficients of liquid water Based on Vibrational Raman Scattering

    NASA Astrophysics Data System (ADS)

    Han, Dong; Chen, Liangfu; Tao, Jinhua; Su, Lin; Li, Shenshen; Yu, Chao; Yan, Huanhuan

    Inelastic Vibrational Raman Scattering (VRS) by liquid water is one significant limitation to the accuracy of the retrieval of trace gas constituents in atmosphere over waters, particularly over clear ocean waters, while using satellite data with Differential Optical Absorption Spec-troscopy technique (DOAS).The effect which is similar to the Ring effect in atmosphere results in the filling in of Fraunhofer lines, which is known as solar absorption lines. The inelastic component of the liquid water scattering causes a net increase of radiance in the line because more radiation is shifted to the wavelength of an absorption line than shifted from this wave-length to other wavelengths. The spectrum at the top of the atmosphere over land measured by OMI (Ozone Monitoring Instrument)/AURA is convolved with Vibrational Raman Scat-tering coefficients of liquid water, divided by the original measured spectrum, with a cubic polynomial subtracted off, to create differential water Ring spectrum. The OMI spectrum over land is chosen to avoid the effect of VRS by liquid water. This method has been suggested in order to obtain an effective differential water Ring coeffients for the DOAS fitting process.The differential water Ring spectrum could be used to improve the accuracy of the retrieval of the trace gases concentration. The method is not relying on RTM, which would be time-consuming and depending on lot of parameters. Therefore, it is very fast and convenient.

  16. Drilling to Extract Liquid Water on Mars: Feasible and Worth the Investment

    NASA Technical Reports Server (NTRS)

    Stoker, C.

    2004-01-01

    A critical application for the success of the Exploration Mission is developing cost effective means to extract resources from the Moon and Mars needed to support human exploration. Water is the most important resource in this regard, providing a critical life support consumable, the starting product of energy rich propellants, energy storage media (e.g. fuel cells), and a reagent used in virtually all manufacturing processes. Water is adsorbed and chemically bound in Mars soils, ice is present near the Martian surface at high latitudes, and water vapor is a minor atmospheric constituent, but extracting meaningful quantities requires large complex mechanical systems, massive feedstock handling, and large energy inputs. Liquid water aquifers are almost certain to be found at a depth of several kilometers on Mars based on our understanding of the average subsurface thermal gradient, and geological evidence from recent Mars missions suggests liquid water may be present much closer to the surface at some locations. The discovery of hundreds of recent water-carved gullies on Mars indicates liquid water can be found at depths of 200-500 meters in many locations. Drilling to obtain liquid water via pumping is therefore feasible and could lower the cost and improve the return of Mars exploration more than any other ISRU technology on the horizon. On the Moon, water ice may be found in quantity in permanently shadowed regions near the poles.

  17. Vapor deposition of water on graphitic surfaces: Formation of amorphous ice, bilayer ice, ice I, and liquid water

    SciTech Connect

    Lupi, Laura; Kastelowitz, Noah; Molinero, Valeria

    2014-11-14

    Carbonaceous surfaces are a major source of atmospheric particles and could play an important role in the formation of ice. Here we investigate through molecular simulations the stability, metastability, and molecular pathways of deposition of amorphous ice, bilayer ice, and ice I from water vapor on graphitic and atomless Lennard-Jones surfaces as a function of temperature. We find that bilayer ice is the most stable ice polymorph for small cluster sizes, nevertheless it can grow metastable well above its region of thermodynamic stability. In agreement with experiments, the simulations predict that on increasing temperature the outcome of water deposition is amorphous ice, bilayer ice, ice I, and liquid water. The deposition nucleation of bilayer ice and ice I is preceded by the formation of small liquid clusters, which have two wetting states: bilayer pancake-like (wetting) at small cluster size and droplet-like (non-wetting) at larger cluster size. The wetting state of liquid clusters determines which ice polymorph is nucleated: bilayer ice nucleates from wetting bilayer liquid clusters and ice I from non-wetting liquid clusters. The maximum temperature for nucleation of bilayer ice on flat surfaces, T{sub B}{sup max} is given by the maximum temperature for which liquid water clusters reach the equilibrium melting line of bilayer ice as wetting bilayer clusters. Increasing water-surface attraction stabilizes the pancake-like wetting state of liquid clusters leading to larger T{sub B}{sup max} for the flat non-hydrogen bonding surfaces of this study. The findings of this study should be of relevance for the understanding of ice formation by deposition mode on carbonaceous atmospheric particles, including soot.

  18. Effect of water presence on choline chloride-2urea ionic liquid and coating platings from the hydrated ionic liquid

    PubMed Central

    Du, Cuiling; Zhao, Binyuan; Chen, Xiao-Bo; Birbilis, Nick; Yang, Haiyan

    2016-01-01

    In the present study, hygroscopicity of the choline chloride-urea (ChCl-2Urea) ionic liquid (IL) was confirmed through Karl-Fisher titration examination, indicating that the water content in the hydrated ChCl-2Urea IL was exposure-time dependent and could be tailored by simple heating treatment. The impact of the absorbed water on the properties of ChCl-2Urea IL, including viscosity, electrical conductivity, electrochemical window and chemical structure was investigated. The results show that water was able to dramatically reduce the viscosity and improve the conductivity, however, a broad electrochemical window could be persisted when the water content was below ~6 wt.%. These characteristics were beneficial for producing dense and compact coatings. Nickel (Ni) coatings plating from hydrated ChCl-2Urea IL, which was selected as an example to show the effect of water on the electroplating, displayed that a compact and corrosion-resistant Ni coating was plated from ChCl-2Urea IL containing 6 wt.% water doped with 400 mg/L NA at a moderate temperature. As verified by FTIR analysis, the intrinsic reason could be ascribed that water was likely linked with urea through strong hydrogen bond so that the water decomposition was suppressed during plating. Present study may provide a reference to prepare some similar water-stable ILs for plating. PMID:27381851

  19. Effect of water presence on choline chloride-2urea ionic liquid and coating platings from the hydrated ionic liquid.

    PubMed

    Du, Cuiling; Zhao, Binyuan; Chen, Xiao-Bo; Birbilis, Nick; Yang, Haiyan

    2016-07-06

    In the present study, hygroscopicity of the choline chloride-urea (ChCl-2Urea) ionic liquid (IL) was confirmed through Karl-Fisher titration examination, indicating that the water content in the hydrated ChCl-2Urea IL was exposure-time dependent and could be tailored by simple heating treatment. The impact of the absorbed water on the properties of ChCl-2Urea IL, including viscosity, electrical conductivity, electrochemical window and chemical structure was investigated. The results show that water was able to dramatically reduce the viscosity and improve the conductivity, however, a broad electrochemical window could be persisted when the water content was below ~6 wt.%. These characteristics were beneficial for producing dense and compact coatings. Nickel (Ni) coatings plating from hydrated ChCl-2Urea IL, which was selected as an example to show the effect of water on the electroplating, displayed that a compact and corrosion-resistant Ni coating was plated from ChCl-2Urea IL containing 6 wt.% water doped with 400 mg/L NA at a moderate temperature. As verified by FTIR analysis, the intrinsic reason could be ascribed that water was likely linked with urea through strong hydrogen bond so that the water decomposition was suppressed during plating. Present study may provide a reference to prepare some similar water-stable ILs for plating.

  20. Effect of water presence on choline chloride-2urea ionic liquid and coating platings from the hydrated ionic liquid

    NASA Astrophysics Data System (ADS)

    Du, Cuiling; Zhao, Binyuan; Chen, Xiao-Bo; Birbilis, Nick; Yang, Haiyan

    2016-07-01

    In the present study, hygroscopicity of the choline chloride-urea (ChCl-2Urea) ionic liquid (IL) was confirmed through Karl-Fisher titration examination, indicating that the water content in the hydrated ChCl-2Urea IL was exposure-time dependent and could be tailored by simple heating treatment. The impact of the absorbed water on the properties of ChCl-2Urea IL, including viscosity, electrical conductivity, electrochemical window and chemical structure was investigated. The results show that water was able to dramatically reduce the viscosity and improve the conductivity, however, a broad electrochemical window could be persisted when the water content was below ~6 wt.%. These characteristics were beneficial for producing dense and compact coatings. Nickel (Ni) coatings plating from hydrated ChCl-2Urea IL, which was selected as an example to show the effect of water on the electroplating, displayed that a compact and corrosion-resistant Ni coating was plated from ChCl-2Urea IL containing 6 wt.% water doped with 400 mg/L NA at a moderate temperature. As verified by FTIR analysis, the intrinsic reason could be ascribed that water was likely linked with urea through strong hydrogen bond so that the water decomposition was suppressed during plating. Present study may provide a reference to prepare some similar water-stable ILs for plating.

  1. Liquid-like sorption water in the upper Martian surface - physical, chemical and possible biological consequences

    NASA Astrophysics Data System (ADS)

    Möhlmann, Diedrich T. F.

    2004-03-01

    Sorption water is a constituent of the soil of the upper meters of the Martian surface at mid- and low latitudes (Möhlmann, 2004). This water content can regionally reach values of about 16wt% (Feldman et al., 2003, Mitrofanov et al., 2003). Adsorption water, the physisorbed part of sorption water, can exist in a liquid-like state at temperatures down to -40°C and less. The terrestrial counterpart is the "unfrozen water" in permafrost (Anderson and Tice, 1972). It has partially modified physical, chemical and biological properties if compared to dry frozen soil. Liquid-like water can act as a solvent, and it supports transport processes to become effective. Chemical processes, which are triggered by adsorption water, are shown to be effective under Martian conditions. These processes are energetically driven by photons. Possibilities for a related photon driven bio-chemical Martian iron-carbon cycle are discussed.

  2. Use of magnetic effervescent tablet-assisted ionic liquid dispersive liquid-liquid microextraction to extract fungicides from environmental waters with the aid of experimental design methodology.

    PubMed

    Yang, Miyi; Wu, Xiaoling; Jia, Yuhan; Xi, Xuefei; Yang, Xiaoling; Lu, Runhua; Zhang, Sanbing; Gao, Haixiang; Zhou, Wenfeng

    2016-02-04

    In this work, a novel effervescence-assisted microextraction technique was proposed for the detection of four fungicides. This method combines ionic liquid-based dispersive liquid-liquid microextraction with the magnetic retrieval of the extractant. A magnetic effervescent tablet composed of Fe3O4 magnetic nanoparticles, sodium carbonate, sodium dihydrogen phosphate and 1-hexyl-3-methylimidazolium bis(trifluoromethanesulfonimide) was used for extractant dispersion and retrieval. The main factors affecting the extraction efficiency were screened by a Plackett-Burman design and optimized by a central composite design. Under the optimum conditions, good linearity was obtained for all analytes in pure water model and real water samples. Just for the pure water, the recoveries were between 84.6% and 112.8%, the limits of detection were between 0.02 and 0.10 μg L(-1) and the intra-day precision and inter-day precision both are lower than 4.9%. This optimized method was successfully applied in the analysis of four fungicides (azoxystrobin, triazolone, cyprodinil, trifloxystrobin) in environmental water samples and the recoveries ranged between 70.7% and 105%. The procedure promising to be a time-saving, environmentally friendly, and efficient field sampling technique.

  3. Are nanometric films of liquid undercooled interfacial water bio-relevant?

    PubMed

    Möhlmann, Diedrich T F

    2009-06-01

    It is known that life processes below the melting point temperature can actively evolve and establish in micrometer-sized (and larger) veins and structures in ice and permafrost soil, filled with unfrozen water. Thermodynamic arguments and experimental results indicate the existence of much smaller nanometer sized thin films of undercooled liquid interfacial (ULI) water on surfaces of micrometer sized and larger mineral particles and microbes in icy environments far below the melting point temperature. This liquid interfacial water can be described in terms of a freezing point depression, which is due to the interfacial pressure of van der Waals forces. The physics behind the possibly also life supporting capability of nanometric films of undercooled liquid interfacial water, which also can "mantle" the surfaces of the much larger and micrometer-sized microbes, is discussed. As described, biological processes do not necessarily have to proceed in the "bulk" of the thin interfacial water, as in "vinical" water and in the micrometer sized veins e.g., but they can be supported or are even made possible already by covering thin mantles of liquid interfacial water. These can provide liquid water for metabolic processes and act as carrier for the necessary transport of nutrients and waste. ULI water supports two different and possibly biologically relevant transport processes: 2D molecular diffusion in the interfacial film, and flow-like due to regelation. ULI-water, which is "lost" by transport into microbes, e.g., will be refilled from the neighbouring ice. In this way, the nanometric liquid environment of microbes in ULI-water is comparable to that of microbes in bulk water. Another probably also biologically relevant property of ULI is, depending on the hydrophobic or hydrophilic character of the surfaces, that it is of lower density (LDL) or higher density (HDL) than bulk water. Furthermore, capillary effects and ions in ULI-water solutions can support, enhance, and

  4. Ionic liquid-based dispersive liquid-liquid microextraction and enhanced spectrophotometric determination of molybdenum (VI) in water and plant leaves samples by FO-LADS.

    PubMed

    Gharehbaghi, Maysam; Shemirani, Farzaneh

    2011-02-01

    A new simple and rapid ionic liquid-based dispersive liquid-liquid microextraction (IL-DLLME) has been applied to preconcentrate trace levels of molybdenum (VI) as a prior step to its enhanced determination by fiber optic-linear array detection spectrophotometry (FO-LADS). In this method, a small amount of [Hmim][Tf(2)N] (1-hexyl-3-methylimmidazolium bis (trifluormethylsulfonyl) imid) as an extraction solvent was applied to extract molybdenum - pyrogallol red complex, which was formed in an aqueous solution in the presence of N-cetyl-N-N-N-trimethyl ammonium chloride as a sensitizing agent. Under optimum conditions, enhancement factor, detection limit and relative standard deviation (n=5, for 30 μg L(-1) of molybdenum (VI)) in 10 mL water sample were 72.6, 1.43 μg L(-1) and 2.8%, respectively.

  5. Ionic liquid-based ultrasound-assisted dispersive liquid-liquid microextraction combined with electrothermal atomic absorption spectrometry for a sensitive determination of cadmium in water samples

    NASA Astrophysics Data System (ADS)

    Li, Shengqing; Cai, Shun; Hu, Wei; Chen, Hao; Liu, Hanlan

    2009-07-01

    A new method was developed for the determination of cadmium in water samples using ionic liquid-based ultrasound-assisted dispersive liquid-liquid microextraction (IL-based USA-DLLME) followed by electrothermal atomic absorption spectrometry (ETAAS). The IL-based USA-DLLME procedure is free of volatile organic solvents, and there is no need for a dispersive solvent, in contrast to conventional DLLME. The ionic liquid, 1-hexyl-3-methylimidazolium hexafluorophosphate (HMIMPF 6), was quickly disrupted by an ultrasonic probe for 1 min and dispersed in water samples like a cloud. At this stage, a hydrophobic cadmium-DDTC complex was formed and extracted into the fine droplets of HMIMPF 6. After centrifugation, the concentration of the enriched cadmium in the sedimented phase was determined by ETAAS. Some effective parameters of the complex formation and microextraction, such as the concentration of the chelating agent, the pH, the volume of the extraction solvent, the extraction time, and the salt effect, have been optimized. Under optimal conditions, a high extraction efficiency and selectivity were reached for the extraction of 1.0 ng of cadmium in 10.0 mL of water solution employing 73 µL of HMIMPF 6 as the extraction solvent. The enrichment factor of the method is 67. The detection limit was 7.4 ng L - 1 , and the characteristic mass ( m0, 0.0044 absorbance) of the proposed method was 0.02 pg for cadmium (Cd). The relative standard deviation (RSD) for 11 replicates of 50 ng L - 1 Cd was 3.3%. The method was applied to the analysis of tap, well, river, and lake water samples and the Environmental Water Reference Material GSBZ 50009-88 (200921). The recoveries of spiked samples were in the range of 87.2-106%.

  6. Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium

    NASA Astrophysics Data System (ADS)

    Dhabal, Debdas; Chakravarty, Charusita; Molinero, Valeria; Kashyap, Hemant K.

    2016-12-01

    We use molecular dynamics simulations to compare and contrast the liquid-state anomalies in the Stillinger-Weber models of monatomic water (mW), silicon (Si), and germanium (Ge) over a fairly wide range of temperatures and densities. The relationships between structure, entropy, and mobility, as well as the extent of the regions of anomalous behavior, are discussed as a function of the degree of tetrahedrality. We map out the cascade of density, structural, pair entropy, excess entropy, viscosity, and diffusivity anomalies for these three liquids. Among the three liquids studied here, only mW displays anomalies in the thermal conductivity, and this anomaly is evident only at very low temperatures. Diffusivity and viscosity, on the other hand, show pronounced anomalous regions for the three liquids. The temperature of maximum density of the three liquids shows re-entrant behavior consistent with either singularity-free or liquid-liquid critical point scenarios proposed to explain thermodynamic anomalies. The order-map, which shows the evolution of translational versus tetrahedral order in liquids, is different for Ge than for Si and mW. We find that although the monatomic water reproduces several thermodynamic and dynamic properties of rigid-body water models (e.g., SPC/E, TIP4P/2005), its sequence of anomalies follows, the same as Si and Ge, the silica-like hierarchy: the region of dynamic (diffusivity and viscosity) anomalies encloses the region of structural anomalies, which in turn encloses the region of density anomaly. The hierarchy of the anomalies based on excess entropy and Rosenfeld scaling, on the other hand, reverses the order of the structural and dynamic anomalies, i.e., predicts that the three Stillinger-Weber liquids follow a water-like hierarchy of anomalies. We investigate the scaling of diffusivity, viscosity, and thermal conductivity with the excess entropy of the liquid and find that for dynamical properties that present anomalies there is no

  7. Mixed reverse micelles facilitated downstream processing of lipase involving water-oil-water liquid emulsion membrane.

    PubMed

    Bhowal, Saibal; Priyanka, B S; Rastogi, Navin K

    2014-01-01

    Our earlier work for the first time demonstrated that liquid emulsion membrane (LEM) containing reverse micelles could be successfully used for the downstream processing of lipase from Aspergillus niger. In the present work, we have attempted to increase the extraction and purification fold of lipase by using mixed reverse micelles (MRM) consisting of cationic and nonionic surfactants in LEM. It was basically prepared by addition of the internal aqueous phase solution to the organic phase followed by the redispersion of the emulsion in the feed phase containing enzyme, which resulted in globules of water-oil-water (WOW) emulsion for the extraction of lipase. The optimum conditions for maximum lipase recovery (100%) and purification fold (17.0-fold) were CTAB concentration 0.075 M, Tween 80 concentration 0.012 M, at stirring speed of 500 rpm, contact time 15 min, internal aqueous phase pH 7, feed pH 9, KCl concentration 1 M, NaCl concentration 0.1 M, and ratio of membrane emulsion to feed volume 1:1. Incorporation of the nonionic surfactant (e.g., Tween 80) resulted in remarkable improvement in the purification fold (3.1-17.0) of the lipase. LEM containing a mixture of nonionic and cationic surfactants can be successfully used for the enhancement in the activity recovery and purification fold during downstream processing of enzymes/proteins.

  8. Sources of sedimentary PAHs in tropical Asian waters: differentiation between pyrogenic and petrogenic sources by alkyl homolog abundance.

    PubMed

    Saha, Mahua; Togo, Ayako; Mizukawa, Kaoruko; Murakami, Michio; Takada, Hideshige; Zakaria, Mohamad P; Chiem, Nguyen H; Tuyen, Bui Cach; Prudente, Maricar; Boonyatumanond, Ruchaya; Sarkar, Santosh Kumar; Bhattacharya, Badal; Mishra, Pravakar; Tana, Touch Seang

    2009-02-01

    whereas inferior in Laos. The higher abundance of alkylated PAHs together with constant hopane profiles suggests widespread inputs of automobile-derived petrogenic PAHs to Asian waters.

  9. A new dispersive liquid-liquid microextraction using ionic liquid based microemulsion coupled with cloud point extraction for determination of copper in serum and water samples.

    PubMed

    Arain, Salma Aslam; Kazi, Tasneem Gul; Afridi, Hassan Imran; Arain, Mariam Shahzadi; Panhwar, Abdul Haleem; Khan, Naeemullah; Baig, Jameel Ahmed; Shah, Faheem

    2016-04-01

    A simple and rapid dispersive liquid-liquid microextraction procedure based on ionic liquid assisted microemulsion (IL-µE-DLLME) combined with cloud point extraction has been developed for preconcentration copper (Cu(2+)) in drinking water and serum samples of adolescent female hepatitits C (HCV) patients. In this method a ternary system was developed to form microemulsion (µE) by phase inversion method (PIM), using ionic liquid, 1-butyl-3-methylimidazolium hexafluorophosphate ([C4mim][PF6]) and nonionic surfactant, TX-100 (as a stabilizer in aqueous media). The Ionic liquid microemulsion (IL-µE) was evaluated through visual assessment, optical light microscope and spectrophotometrically. The Cu(2+) in real water and aqueous acid digested serum samples were complexed with 8-hydroxyquinoline (oxine) and extracted into IL-µE medium. The phase separation of stable IL-µE was carried out by the micellar cloud point extraction approach. The influence of of different parameters such as pH, oxine concentration, centrifugation time and rate were investigated. At optimized experimental conditions, the limit of detection and enhancement factor were found to be 0.132 µg/L and 70 respectively, with relative standard deviation <5%. In order to validate the developed method, certified reference materials (SLRS-4 Riverine water) and human serum (Sero-M10181) were analyzed. The resulting data indicated a non-significant difference in obtained and certified values of Cu(2+). The developed procedure was successfully applied for the preconcentration and determination of trace levels of Cu(2+) in environmental and biological samples.

  10. In-situ metathesis reaction combined with ultrasound-assisted ionic liquid dispersive liquid-liquid microextraction method for the determination of phenylurea pesticides in water samples.

    PubMed

    Zhang, Jiaheng; Liang, Zhe; Li, Songqing; Li, Yubo; Peng, Bing; Zhou, Wenfeng; Gao, Haixiang

    2012-08-30

    A novel microextraction technique, named in-situ metathesis reaction, combined with ultrasound-assisted ionic liquid dispersive liquid-liquid microextraction was developed for the determination of five phenylurea pesticides (i.e., diuron, diflubenzuron, teflubenzuron, flufenoxuron, and chlorfluazuron) in environmental water samples. In the developed method, 360 μL LiNTf(2) aqueous solution (0.162 g/mL) was added to the sample solution containing a small amount of [C(6)MIM]Cl (0.034 g) to form a water-immiscible ionic liquid, [C(6)MIM]NTf(2), as extraction solution. The mixed solutions were placed in an ultrasonic water bath at 150 W for 4min and centrifuged at 3500 rpm for 10 min to achieve phase separation. After centrifugation, fine droplets of the extractant phase settled to the bottom of the centrifuge tube and were directly injected into the high-performance liquid chromatography system for analysis. The quantity of [C(6)MIM]Cl, the molar ratio of [C(6)MIM]Cl and LiNTf(2), ionic strength, ultrasound time, and centrifugation time, were optimized using a Plackett-Burman design. Significant factors obtained were optimized by employing a central composite design. The optimized technique provides good repeatability (RSD 2.4 to 3.5%), linearity (0.5 μg/L to 500 μg/L), low LODs (0.06 μg/L to 0.08 μg/L) and great enrichment factor (244 to 268). The developed method can be applied in routine analysis for the determining of phenylurea pesticides in environmental samples.

  11. Mesoscopic modeling of liquid water transport in polymer electrolyte fuel cells

    SciTech Connect

    Mukherjee, Partha P; Wang, Chao Yang

    2008-01-01

    A key performance limitation in polymer electrolyte fuel cells (PEFC), manifested in terms of mass transport loss, originates from liquid water transport and resulting flooding phenomena in the constituent components. Liquid water leads to the coverage of the electrochemically active sites in the catalyst layer (CL) rendering reduced catalytic activity and blockage of the available pore space in the porous CL and fibrous gas diffusion layer (GDL) resulting in hindered oxygen transport to the active reaction sites. The cathode CL and the GDL therefore playa major role in the mass transport loss and hence in the water management of a PEFC. In this article, we present the development of a mesoscopic modeling formalism coupled with realistic microstructural delineation to study the profound influence of the pore structure and surface wettability on liquid water transport and interfacial dynamics in the PEFC catalyst layer and gas diffusion layer.

  12. Dosimetric characterization of a {sup 131}Cs brachytherapy source by thermoluminescence dosimetry in liquid water

    SciTech Connect

    Tailor, Ramesh; Ibbott, Geoffrey; Lampe, Stephanie; Bivens Warren, Whitney; Tolani, Naresh

    2008-12-15

    Dosimetry measurements of a {sup 131}Cs brachytherapy source have been performed in liquid water employing thermoluminescence dosimeters. A search of the literature reveals that this is the first time a complete set of dosimetric parameters for a brachytherapy ''seed'' source has been measured in liquid water. This method avoids the medium correction uncertainties introduced by the use of water-equivalent plastic phantoms. To assure confidence in the results, four different sources were employed for each parameter measured, and measurements were performed multiple times. The measured dosimetric parameters presented here are based on the AAPM Task Group 43 formalism. The dose-rate constant measured in liquid water was (1.063{+-}0.023) cGy h{sup -1} U{sup -1} and was based on the air-kerma strength standard for this source established by the National Institute of Standards and Technology. Measured values for the 2D anisotropy function and the radial dose function are presented.

  13. Formation of Martian Gullies by the Flow of Simultaneously Freezing and Boiling Liquid Water

    NASA Technical Reports Server (NTRS)

    Heldmann, Jennifer L.; Mellon, Michael T.; Toon, Owen B.; Pollard, Wayne H.; Mellon, Michael T.; Pitlick, John; McKay, Christopher P.; Andersen, Dale T.

    2004-01-01

    Geomorphic evidence suggests that recent gullies on Mars were formed by fluvial activity. The Martian gully features are significant because their existence implies the presence of liquid water near the surface on Mars in geologically recent times. Irrespective of the ultimate source of the fluid carving the gullies, we seek to understand the behavior of this fluid after it reaches the Martian surface. We find that, contrary to popular belief, the fluvially-carved Martian gullies require formation conditions such as now occur on Mars, outside of the temperature-pressure stability regime of liquid water. Mars Global Surveyor observations of gully length and our modeling of water stability are consistent with gully formation from the action of pure liquid water that is simultaneously boiling and freezing.

  14. Photoelectron spectroscopy of liquid water, some alcohols, and pure nonane in free micro jets

    NASA Astrophysics Data System (ADS)

    Faubel, Manfred; Steiner, Björn; Toennies, J. Peter

    1997-06-01

    The recently developed technique of accessing volatile liquids in a high vacuum environment by using a very thin liquid jet is implemented to carry out the first measurements of photoelectron spectra of pure liquid water, methanol, ethanol, 1-propanol, 1-butanol, and benzyl alcohol as well as of liquid n-nonane. The apparatus, which consists of a commercial hemispherical (10 cm mean radius) electron analyzer and a hollow cathode discharge He I light source is described in detail and the problems of the sampling of the photoelectrons in such an environment are discussed. For water and most of the alcohols up to six different electronic bands could be resolved. The spectra of 1-butanol and n-nonane show two weakly discernable peaks from which the threshold ionization potential could be determined. A deconvolution of the photoelectron spectra is used to extract ionization potentials of individual molecular bands of molecules near the surface of the liquid and shifts of the order of 1 eV compared to the gas phase are observed. A molecular orientation for water molecules at the surface of liquid water is inferred from a comparison of the relative band strengths with the gas phase. Similar effects are also observed for some of the alcohols. The results are discussed in terms of a simple "Born-solvation" model.

  15. Synergistic effect of dicarbollide anions in liquid-liquid extraction: a molecular dynamics study at the octanol-water interface.

    PubMed

    Chevrot, G; Schurhammer, R; Wipff, G

    2007-04-28

    We report a molecular dynamics study of chlorinated cobalt bis(dicarbollide) anions [(B(9)C(2)H(8)Cl(3))(2)Co](-)"CCD(-)" in octanol and at the octanol-water interface, with the main aim to understand why these hydrophobic species act as strong synergists in assisted liquid-liquid cation extraction. Neat octanol is quite heterogeneous and is found to display dual solvation properties, allowing to well solubilize CCD(-), Cs(+) salts in the form of diluted pairs or oligomers, without displaying aggregation. At the aqueous interface, octanol behaves as an amphiphile, forming either monolayers or bilayers, depending on the initial state and confinement conditions. In biphasic octanol-water systems, CCD(-) anions are found to mainly partition to the organic phase, thus attracting Cs(+) or even more hydrophilic counterions like Eu(3+) into that phase. The remaining CCD(-) anions adsorb at the interface, but are less surface active than at the chloroform interface. Finally, we compare the interfacial behavior of the Eu(BTP)(3)(3+) complex in the absence and in the presence of CCD(-) anions and extractant molecules. It is found that when the CCD(-)'s are concentrated enough, the complex is extracted to the octanol phase. Otherwise, it is trapped at the interface, attracted by water. These results are compared to those obtained with chloroform as organic phase and discussed in the context of synergistic effect of CCD(-) in liquid-liquid extraction, pointing to the importance of dual solvation properties of octanol and of the hydrophobic character of CCD(-) for synergistic extraction of cations.

  16. Supported liquid membrane-liquid chromatography-mass spectrometry analysis of cyanobacterial toxins in fresh water systems

    NASA Astrophysics Data System (ADS)

    Mbukwa, Elbert A.; Msagati, Titus A. M.; Mamba, Bhekie B.

    Harmful algal blooms (HABs) are increasingly becoming of great concern to water resources worldwide due to indiscriminate waste disposal habits resulting in water pollution and eutrophication. When cyanobacterial cells lyse (burst) they release toxins called microcystins (MCs) that are well known for their hepatotoxicity (causing liver damage) and have been found in eutrophic lakes, rivers, wastewater ponds and other water reservoirs. Prolonged exposure to low concentrated MCs are equally of health importance as they are known to be bioaccumulative and even at such low concentration do exhibit toxic effects to aquatic animals, wildlife and human liver cells. The application of common treatment processes for drinking water sourced from HABs infested reservoirs have the potential to cause algal cell lyses releasing low to higher amounts of MCs in finished water. Trace microcystins in water/tissue can be analyzed and quantified using Liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) following solid-phase extraction (SPE) sample clean-up procedures. However, extracting MCs from algal samples which are rich in chlorophyll pigments and other organic matrices the SPE method suffers a number of drawbacks, including cartridge clogging, long procedural steps and use of larger volumes of extraction solvents. We applied a supported liquid membrane (SLM) based technique as an alternative sample clean-up method for LC-ESI-MS analysis of MCs from both water and algal cells. Four (4) MC variants (MC-RR, -YR, -LR and -WR) from lyophilized cells of Microcystis aeruginosa and water collected from a wastewater pond were identified) and quantified using LC-ESI-MS following a SLM extraction and liquid partitioning step, however, MC-WR was not detected from water extracts. Within 45 min of SLM extraction all studied MCs were extracted and pre-concentrated in approximately 15 μL of an acceptor phase at an optimal pH 2.02 of the donor phase (sample). The highest

  17. Interactions between liquid-water and gas-diffusion layers in polymer-electrolyte fuel cells

    SciTech Connect

    Das, Prodip K.; Santamaria, Anthony D.; Weber, Adam Z.

    2015-06-11

    Over the past few decades, a significant amount of research on polymer-electrolyte fuel cells (PEFCs) has been conducted to improve performance and durability while reducing the cost of fuel cell systems. However, the cost associated with the platinum (Pt) catalyst remains a barrier to their commercialization and PEFC durability standards have yet to be established. An effective path toward reducing PEFC cost is making the catalyst layers (CLs) thinner thus reducing expensive Pt content. The limit of thin CLs is high gas-transport resistance and the performance of these CLs is sensitive to the operating temperature due to their inherent low water uptake capacity, which results in higher sensitivity to liquid-water flooding and reduced durability. Therefore, reducing PEFC's cost by decreasing Pt content and improving PEFC's performance and durability by managing liquid-water are still challenging and open topics of research. An overlooked aspect nowadays of PEFC water management is the gas-diffusion layer (GDL). While it is known that GDL's properties can impact performance, typically it is not seen as a critical component. In this work, we present data showing the importance of GDLs in terms of water removal and management while also exploring the interactions between liquid-water and GDL surfaces. The critical interface of GDL and gas-flow-channel in the presence of liquid-water was examined through systematic studies of adhesion forces as a function of water-injection rate for various GDLs of varying thickness. GDL properties (breakthrough pressure and adhesion force) were measured experimentally under a host of test conditions. Specifically, the effects of GDL hydrophobic (PTFE) content, thickness, and water-injection rate were examined to identify trends that may be beneficial to the design of liquid-water management strategies and next-generation GDL materials for PEFCs.

  18. Interactions between liquid-water and gas-diffusion layers in polymer-electrolyte fuel cells

    DOE PAGES

    Das, Prodip K.; Santamaria, Anthony D.; Weber, Adam Z.

    2015-06-11

    Over the past few decades, a significant amount of research on polymer-electrolyte fuel cells (PEFCs) has been conducted to improve performance and durability while reducing the cost of fuel cell systems. However, the cost associated with the platinum (Pt) catalyst remains a barrier to their commercialization and PEFC durability standards have yet to be established. An effective path toward reducing PEFC cost is making the catalyst layers (CLs) thinner thus reducing expensive Pt content. The limit of thin CLs is high gas-transport resistance and the performance of these CLs is sensitive to the operating temperature due to their inherent lowmore » water uptake capacity, which results in higher sensitivity to liquid-water flooding and reduced durability. Therefore, reducing PEFC's cost by decreasing Pt content and improving PEFC's performance and durability by managing liquid-water are still challenging and open topics of research. An overlooked aspect nowadays of PEFC water management is the gas-diffusion layer (GDL). While it is known that GDL's properties can impact performance, typically it is not seen as a critical component. In this work, we present data showing the importance of GDLs in terms of water removal and management while also exploring the interactions between liquid-water and GDL surfaces. The critical interface of GDL and gas-flow-channel in the presence of liquid-water was examined through systematic studies of adhesion forces as a function of water-injection rate for various GDLs of varying thickness. GDL properties (breakthrough pressure and adhesion force) were measured experimentally under a host of test conditions. Specifically, the effects of GDL hydrophobic (PTFE) content, thickness, and water-injection rate were examined to identify trends that may be beneficial to the design of liquid-water management strategies and next-generation GDL materials for PEFCs.« less

  19. Ionic liquid based dispersive liquid-liquid microextraction coupled with micro-solid phase extraction of antidepressant drugs from environmental water samples.

    PubMed

    Ge, Dandan; Lee, Hian Kee

    2013-11-22

    Ionic liquid-dispersive liquid-liquid microextraction combined with micro-solid phase extraction (IL-DLLME-μ-SPE), and high-performance liquid chromatography (HPLC) was developed for the determination of tricyclic antidepressants (TCAs) in water samples. Two hundred microliters of an organic solvent (as disperser solvent) and 20 μl of 1-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate were injected into a 5.0 ml sample for sonication-assisted DLLME. After this, a μ-SPE device, containing a novel material zeolite imidazolate framework 4 (ZIF-4), was added into the sample solution and 1 min of vortex-assisted extraction was performed. After 5 min of sonication-assisted desorption, 10 μl of desorption solvent was injected into a HPLC system for analysis. A characteristic property of DLLME-VA-μ-SPE is that any organic solvent and solid sorbent immiscible with water can be used. Special apparatus, or conical-bottom test tubes, and tedious procedures conventionally associated with DLLME such as centrifugation, or refrigeration of solvent are not necessary in the present approach. A novel material, ZIF-4 was employed as μ-SPE sorbent. Under the optimized conditions, the calibration curves were linear in the range of 1-1000 μg/L. The relative standard deviations and the limits of detection were in the range of 1.5% and 7.8% and 0.3 and 1 μg/L, respectively. The relative recoveries of canal water samples, spiked with drugs, were in the range of 94.3% and 114.7%. The results showed that IL-DLLME-μ-SPE was suitable for the determination of TCAs in water samples.

  20. [Determination of four phenolic endocrine disruptors in environmental water samples by high performance liquid chromatography-fluorescence detection using dispersive liquid-liquid microextraction coupled with derivatization].

    PubMed

    Wang, Xiaoyan; Qi, Weimei; Zhao, Xian'en; Lü, Tao; Wang, Xiya; Zheng, Longfang; Yan, Yehao; You, Jinmao

    2014-06-01

    To achieve accurate, fast and sensitive detection of phenolic endocrine disruptors in small volume of environmental water samples, a method of dispersive liquid-liquid microextraction (DLLME) coupled with fluorescent derivatization was developed for the determination of bisphenol A, nonylphenol, octylphenol and 4-tert-octylphenol in environmental water samples by high performance liquid chromatography-fluorescence detection (HPLC-FLD). The DLLME and derivatization conditions were investigated, and the optimized DLLME conditions for small volume of environmental water samples (pH 4.0) at room temperature were as follows: 70 microL chloroform as extraction solvent, 400 microL acetonitrile as dispersing solvent, vortex mixing for 3 min, and then high-speed centrifugation for 2 min. Using 2-[2-(7H-dibenzo [a, g] carbazol-7-yl)-ethoxy] ethyl chloroformate (DBCEC-Cl) as precolumn derivatization reagent, the stable derivatives of the four phenolic endocrine disruptors were obtained in pH 10.5 Na2CO3-NaHCO3 buffer/acetonitrile at 50 degrees C for 3 min, and then separated within 10 min by HPLC-FLD. The limits of detection (LODs) were in the range of 0.9-1.6 ng/L, and the limits of quantification (LOQs) were in the range of 3.8-7.1 ng/L. This method had perfect linearity, precision and recovery results, and showed obvious advantages and practicality comparing to the previously reported methods. It is a convenient and validated method for the routine analysis of phenolic endocrine disruptors in waste water of paper mill, lake water, domestic wastewater, tap water, etc.

  1. Kapitza Resistance between Few-Layer Graphene and Water: Liquid Layering Effects.

    PubMed

    Alexeev, Dmitry; Chen, Jie; Walther, Jens H; Giapis, Konstantinos P; Angelikopoulos, Panagiotis; Koumoutsakos, Petros

    2015-09-09

    The Kapitza resistance (RK) between few-layer graphene (FLG) and water was studied using molecular dynamics simulations. The RK was found to depend on the number of the layers in the FLG though, surprisingly, not on the water block thickness. This distinct size dependence is attributed to the large difference in the phonon mean free path between the FLG and water. Remarkably, RK is strongly dependent on the layering of water adjacent to the FLG, exhibiting an inverse proportionality relationship to the peak density of the first water layer, which is consistent with better acoustic phonon matching between FLG and water. These findings suggest novel ways to engineer the thermal transport properties of solid-liquid interfaces by controlling and regulating the liquid layering at the interface.

  2. Hydrogen Bonding and Related Properties in Liquid Water: A Car-Parrinello Molecular Dynamics Simulation Study.

    PubMed

    Guardia, Elvira; Skarmoutsos, Ioannis; Masia, Marco

    2015-07-23

    The local hydrogen-bonding structure and dynamics of liquid water have been investigated using the Car-Parrinello molecular dynamics simulation technique. The radial distribution functions and coordination numbers around water molecules have been found to be strongly dependent on the number of hydrogen bonds formed by each molecule, revealing also the existence of local structural heterogeneities in the structure of the liquid. The results obtained have also revealed the strong effect of the local hydrogen-bonding network on the local tetrahedral structure and entropy. The investigation of the dynamics of the local hydrogen-bonding network in liquid water has shown that this network is very labile, and the hydrogen bonds break and reform very rapidly. Nevertheless, it has been found that the hydrogen-bonding states associated with the formation of four hydrogen bonds by a water molecule exhibit the largest survival probability and corresponding lifetime. The reorientational motions of water molecules have also been found to be strongly dependent on their initial hydrogen-bonding state. Finally, the dependence of the librational and vibrational modes of water molecules on the local hydrogen-bonding network has been carefully examined, revealing a significant effect upon the libration and bond-stretching peak frequencies. The calculated low frequency peaks come in agreement with previously reported interpretations of the experimental low-frequency Raman spectrum of liquid water.

  3. Bulk volumetric liquid water content in a seasonal snowpack: modeling its dynamics in different climatic conditions

    NASA Astrophysics Data System (ADS)

    Avanzi, Francesco; Yamaguchi, Satoru; Hirashima, Hiroyuki; De Michele, Carlo

    2015-12-01

    We focus on the dynamics of volumetric liquid water content in seasonal snow covers. This is a key variable describing the fate of snowpacks during the melting season. However, its measurement and/or prediction by means of models at high spatial and temporal resolutions is still difficult due to both practical and theoretical reasons. To overcome these limitations in operational applications, we test the capability of a one-dimensional model to predict the dynamics of bulk volumetric liquid water content during a snow season. Multi-year data collected in three experimental sites in Japan are used as an evaluation. These sites are subjected to different climatic conditions. The model requires the calibration of one or two parameters, according to the degree of detail used. Either a simple temperature-index or a coupled melt-freeze temperature-index approach are considered to predict melting and/or melt-freeze dynamics of liquid water. Results show that, if melt-freeze dynamics are modeled, median absolute differences between data and predictions are consistently lower than 1 vol% at the sites where data of liquid water content are available. In addition, we find also that the model predicts correctly a dry condition in 80% of the observed cases at a site where calibration data are scarce. At the same site, observed isothermal conditions of the snow cover at 0 °C correspond to predictions of bulk volumetric liquid water content that are greater than 0.

  4. Automated dispersive liquid-liquid microextraction coupled to high performance liquid chromatography - cold vapour atomic fluorescence spectroscopy for the determination of mercury species in natural water samples.

    PubMed

    Liu, Yao-Min; Zhang, Feng-Ping; Jiao, Bao-Yu; Rao, Jin-Yu; Leng, Geng

    2017-04-14

    An automated, home-constructed, and low cost dispersive liquid-liquid microextraction (DLLME) device that directly coupled to a high performance liquid chromatography (HPLC) - cold vapour atomic fluorescence spectroscopy (CVAFS) system was designed and developed for the determination of trace concentrations of methylmercury (MeHg(+)), ethylmercury (EtHg(+)) and inorganic mercury (Hg(2+)) in natural waters. With a simple, miniaturized and efficient automated DLLME system, nanogram amounts of these mercury species were extracted from natural water samples and injected into a hyphenated HPLC-CVAFS for quantification. The complete analytical procedure, including chelation, extraction, phase separation, collection and injection of the extracts, as well as HPLC-CVAFS quantification, was automated. Key parameters, such as the type and volume of the chelation, extraction and dispersive solvent, aspiration speed, sample pH, salt effect and matrix effect, were thoroughly investigated. Under the optimum conditions, linear range was 10-1200ngL(-1) for EtHg(+) and 5-450ngL(-1) for MeHg(+) and Hg(2+). Limits of detection were 3.0ngL(-1) for EtHg(+) and 1.5ngL(-1) for MeHg(+) and Hg(2+). Reproducibility and recoveries were assessed by spiking three natural water samples with different Hg concentrations, giving recoveries from 88.4-96.1%, and relative standard deviations <5.1%.

  5. Molecular dynamics simulation of nanostructural organization in ionic liquid/water mixtures.

    PubMed

    Jiang, Wei; Wang, Yanting; Voth, Gregory A

    2007-05-10

    Molecular dynamics simulations have been carried out to investigate nanostructural organization in mixtures of 1-octyl-3-methylimidazolium nitrate ionic liquid and water at multiple water concentrations. Evolution of the polar network, water network, and micelle structures is visualized and analyzed via partial radial distribution functions. The calculated static partial structure factors show that within the range of water contents examined, polar networks, water networks, and micelles possess an approximately invariant characteristic length at around 20 A. Furthermore, the above calculations point out that, as the amount of water increases, the polar network is continuously broken up (screened) by the intruding water, while the structural organization of the water network and the micelle exhibits a turnover. At the turnover point, the most ordered micelle (cation-cation) structure and water (water-anion-water) network are formed. Thereafter, the structural organization abates drastically, and only loose micelle structure exists due to the dominant water-water interactions. The simulated turnover of structural organization agrees with the sharpest peak in the experimentally obtained structure factor in aqueous solutions of similar ionic liquids; the simulated water structure reveals that water can form liquidlike associated aggregates due to the planar symmetry and strong basicity of NO(3)-, in agreement with experiment. The turnover of structural organization of micelles results from the persistent competition between the hydrophobic interactions of the nonpolar groups and the breakup of the charged polar network with increasing water content, whereas the turnover of the water network results from the competition between the water-water and water-anion interactions.

  6. Water and cheese from the lunar desert: Abundances and accessibility of H, C, and N on the Moon

    NASA Technical Reports Server (NTRS)

    Haskin, L. A.

    1992-01-01

    The Moon has been underrated as a source of H, N, C, and other elements essential to support life and to provide fuel for rockets. There is enough of these elements in each cubic meter of typical lunar soil to provide a substantial lunch for two, if converted to edible forms. The average amount of C per square meter of the lunar surface to a depth of 2 m is some 35 percent of the average amount per square meter tied up in living organisms on Earth. The water equivalent of H in the upper 2 m of the regolith averages at least 1.3 million liters per square kilometer. Mining of H from a small fraction of the regolith would provide all the rocket fuel needed for thousands of years. These elements can be removed from the soil by heating it to high temperature. Some favor the unproven resources of Phobos, Deimos, or near-Earth asteroids instead of the Moon as a source of extraterrestrial material for use in space, or Mars over the Moon as a site for habitation, partly on the basis that the chemical elements needed for life support and propellant are readily abundant on those bodies, but not on the Moon. Well, the Moon is not as barren of H, C, and N as is commonly perceived. In fact, the elements needed for life support and for rocket fuel are plentiful there, although the ore grades are low. Furthermore, the proximity of the Moon and consequent lower cost of transportation and shorter trip and communication times favor that body as the logical site for early acquisition of resources and extraterrestrial living.

  7. Distribution and relative abundance of humpback whales in relation to environmental variables in coastal British Columbia and adjacent waters

    NASA Astrophysics Data System (ADS)

    Dalla Rosa, Luciano; Ford, John K. B.; Trites, Andrew W.

    2012-03-01

    Humpback whales are common in feeding areas off British Columbia (BC) from spring to fall, and are widely distributed along the coast. Climate change and the increase in population size of North Pacific humpback whales may lead to increased anthropogenic impact and require a better understanding of species-habitat relationships. We investigated the distribution and relative abundance of humpback whales in relation to environmental variables and processes in BC waters using GIS and generalized additive models (GAMs). Six non-systematic cetacean surveys were conducted between 2004 and 2006. Whale encounter rates and environmental variables (oceanographic and remote sensing data) were recorded along transects divided into 4 km segments. A combined 3-year model and individual year models (two surveys each) were fitted with the mgcv R package. Model selection was based primarily on GCV scores. The explained deviance of our models ranged from 39% for the 3-year model to 76% for the 2004 model. Humpback whales were strongly associated with latitude and bathymetric features, including depth, slope and distance to the 100-m isobath. Distance to sea-surface-temperature fronts and salinity (climatology) were also constantly selected by the models. The shapes of smooth functions estimated for variables based on chlorophyll concentration or net primary productivity with different temporal resolutions and time lags were not consistent, even though higher numbers of whales seemed to be associated with higher primary productivity for some models. These and other selected explanatory variables may reflect areas of higher biological productivity that favor top predators. Our study confirms the presence of at least three important regions for humpback whales along the BC coast: south Dixon Entrance, middle and southwestern Hecate Strait and the area between La Perouse Bank and the southern edge of Juan de Fuca Canyon.

  8. Electro-Optical Transmission and Liquid Water Content of Fogs and Clouds

    DTIC Science & Technology

    1985-05-01

    ter Clouds. 1.3. Experimental Apparatus and Techniques 1.4. Liquid Water Content of laboratory Cloud 1.5. Data Acquisition 1.6 Experimental ...Backscatter in Water Cloud at Visible Wavelengths 2.6. Experimental Verification of the Extinction-Backscatter Relation at Visible Wavelengths 13...16 SECTION 3: EXTINCTION AND BACKSCATTER OF WATER CLOUDS AT CO. 1 LASER WAVELENGTHS 3.1. Introduction 3.2 Experimental Measurement of

  9. Ultrasound-assisted dispersive liquid-liquid microextraction for the determination of six pyrethroids in river water.

    PubMed

    Yan, Hongyuan; Liu, Baomi; Du, Jingjing; Yang, Gengliang; Row, Kyung Ho

    2010-08-06

    A simple ultrasound-assisted dispersive liquid-liquid microextraction method combined with liquid chromatography was developed for the preconcentration and determination of six pyrethroids in river water samples. The procedure was based on a ternary solvent system to formatting tiny droplets of extractant in sample solution by dissolving appropriate amounts of water-immiscible extractant (tetrachloromethane) in watermiscible dispersive solvent (acetone). Various parameters that affected the extraction efficiency (such as type and volume of extraction and dispersive solvent, extraction time, ultrasonic time, and centrifuging time) were evaluated. Under the optimum condition, good linearity was obtained in a range of 0.00059-1.52 mg L(-1) for all analytes with the correlation coefficient (r(2))>0.999. Intra-assay and inter-assay precision evaluated as the relative standard deviation (RSD) were less than 3.4 and 8.9%. The recoveries of six pyrethroids at three spiked levels were in the range of 86.2-109.3% with RSD of less than 8.7%. The enrichment factors for the six pyrethroids were ranged from 767 to 1033 folds.

  10. Sequential dispersive liquid-liquid microextraction for the determination of aryloxyphenoxy-propionate herbicides in water.

    PubMed

    Li, Songqing; Gao, Peng; Zhang, Jiaheng; Li, Yubo; Peng, Bing; Gao, Haixiang; Zhou, Wenfeng

    2012-12-01

    A novel dispersive liquid-liquid microextraction (DLLME) method followed by HPLC analysis, termed sequential DLLME, was developed for the preconcentration and determination of aryloxyphenoxy-propionate herbicides (i.e. haloxyfop-R-methyl, cyhalofop-butyl, fenoxaprop-P-ethyl, and fluazifop-P-butyl) in aqueous samples. The method is based on the combination of ultrasound-assisted DLLME with in situ ionic liquid (IL) DLLME into one extraction procedure and achieved better performance than widely used DLLME procedures. Chlorobenzene was used as the extraction solvent during the first extraction. Hydrophilic IL 1-octyl-3-methylimidazolium chloride was used as a dispersive solvent during the first extraction and as an extraction solvent during the second extraction after an in situ chloride exchange by bis[(trifluoromethane)sulfonyl]imide. Several experimental parameters affecting the extraction efficiency were studied and optimized with the design of experiments using MINITAB® 16 software. Under the optimized conditions, the extractions resulted in analyte recoveries of 78-91%. The correlation coefficients of the calibration curves ranged from 0.9994 to 0.9997 at concentrations of 10-300, 15-300, and 20-300 μg L(-1). The relative SDs (n = 5) ranged from 2.9 to 5.4%. The LODs for the four herbicides were between 1.50 and 6.12 μg L(-1).

  11. Mass-controlled capillary viscometer for a Newtonian liquid: viscosity of water at different temperatures.

    PubMed

    Digilov, Rafael M; Reiner, M

    2007-03-01

    The operation principle of the mass-controlled capillary viscometer is presented for a Newtonian liquid. The derived equation for the temporal changes of the mass in a liquid column draining under gravity through a discharge capillary tube accounts self-consistently for the inertial convective term associated with the acceleration effect. The viscosity of water measured at different temperatures using the new approach is in good agreement with literature data.

  12. Strong anion exchange liquid chromatographic separation of protein amino acids for natural 13C-abundance determination by isotope ratio mass spectrometry.

    PubMed

    Abaye, Daniel A; Morrison, Douglas J; Preston, Tom

    2011-02-15

    Amino acids are the building blocks of proteins and the analysis of their (13)C abundances is greatly simplified by the use of liquid chromatography (LC) systems coupled with isotope ratio mass spectrometry (IRMS) compared with gas chromatography (GC)-based methods. To date, various cation exchange chromatography columns have been employed for amino acid separation. Here, we report strong anion exchange chromatography (SAX) coupled to IRMS with a Liquiface interface for amino acid δ(13)C determination. Mixtures of underivatised amino acids (0.1-0.5 mM) and hydrolysates of representative proteins (prawns and bovine serum albumin) were resolved by LC/IRMS using a SAX column and inorganic eluents. Background inorganic carbon content was minimised through careful preparation of alkaline reagents and use of a pre-injector on-line carbonate removal device. SAX chromatography completely resolved 11 of the 16 expected protein amino acids following acid hydrolysis in underivatised form. Basic and neutral amino acids were resolved with 35 mM NaOH in isocratic mode. Elution of the aromatic and acidic amino acids required a higher hydroxide concentration (180 mM) and a counterion (NO 3-, 5-25 mM). The total run time was 70 min. The average δ(13)C precision of baseline-resolved peaks was 0.75‰ (range 0.04 to 1.06‰). SAX is a viable alternative to cation chromatography, especially where analysis of basic amino acids is important. The technology shows promise for (13)C amino acid analysis in ecology, archaeology, forensic science, nutrition and protein metabolism.

  13. Liquid Water on Mars: The Story from Meteorites

    NASA Astrophysics Data System (ADS)

    Taylor, G. J.

    2000-05-01

    Two studies shed light on the nature and timing of alteration by water of rocks from Mars. One is an experimental study of the alteration of a rock similar to Martian meteorites, conducted by Leslie Baker, Deborah Agenbroad, and Scott Wood (University of Idaho). They exposed crushed pieces of terrestrial lava flows to water at 23 C and 75 C and normal atmospheric pressure, and to hot water at 200 C to 400 C and a pressure 1000 times normal atmospheric to see what minerals would form. On the basis of a detailed comparison between the experimental products and the Martian meteorites Baker and colleagues conclude that the rocks from which Martian meteorites derived were intermittently exposed to water or water vapor; they were not exposed for a long time to large volumes of water. In an independent study, a team led by Tim Swindle (University of Arizona) tried to determine the time of formation of a reddish-brown alteration product in the Martian meteorite Lafayette. This meteorite appears to have formed from magma 1.3 billion years ago, but the rusty-looking weathering product, a mixture of clay minerals, iron oxide, and iron hydride, formed long after the original rock had crystallized. Although the precise time is not pinned down, their measurements indicate formation during the past 650 million years. Taken together, these studies suggest that water flowed intermittently on the surface of Mars during the past 650 million years.

  14. Regional water implications of reducing oil imports with liquid transportation fuel alternatives in the United States.

    PubMed

    Jordaan, Sarah M; Diaz Anadon, Laura; Mielke, Erik; Schrag, Daniel P

    2013-01-01

    The Renewable Fuel Standard (RFS) is among the cornerstone policies created to increase U.S. energy independence by using biofuels. Although greenhouse gas emissions have played a role in shaping the RFS, water implications are less understood. We demonstrate a spatial, life cycle approach to estimate water consumption of transportation fuel scenarios, including a comparison to current water withdrawals and drought incidence by state. The water consumption and land footprint of six scenarios are compared to the RFS, including shale oil, coal-to-liquids, shale gas-to-liquids, corn ethanol, and cellulosic ethanol from switchgrass. The corn scenario is the most water and land intense option and is weighted toward drought-prone states. Fossil options and cellulosic ethanol require significantly less water and are weighted toward less drought-prone states. Coal-to-liquids is an exception, where water consumption is partially weighted toward drought-prone states. Results suggest that there may be considerable water and land impacts associated with meeting energy security goals through using only biofuels. Ultimately, water and land requirements may constrain energy security goals without careful planning, indicating that there is a need to better balance trade-offs. Our approach provides policymakers with a method to integrate federal policies with regional planning over various temporal and spatial scales.

  15. Interactions in Water-Ionic Liquid Mixtures: Comparing Protic and Aprotic Systems.

    PubMed

    Reid, Joshua E S J; Gammons, Richard J; Slattery, John M; Walker, Adam J; Shimizu, Seishi

    2017-01-26

    The sensitivity of ionic liquids (ILs) to water affects their physical and chemical properties, even at relatively low concentrations, yet the structural thermodynamics of protic IL- (PIL-) water systems at low water concentrations still remains unclear. Using the rigorous Kirkwood-Buff theory of solutions, which can quantify the interactions between species in IL-water systems solely from thermodynamic data, we have shown the following: (1) Between analogous protic and aprotic ILs (AILs), the AIL cholinium bis(trifluoromethanesulfonyl)imide ([Ch][NTf2]) shows stronger interactions with water at low water concentrations, with the analogous PIL N,N-dimethylethanolammonium bis(trifluoromethanesulfonyl)imide ([DMEtA][NTf2]) having stronger water-ion interactions at higher water contents, despite water-ion interactions weakening with increasing water content in both systems. (2) Water has little effect on the average ion-ion interactions in both protic and aprotic ILs, aside from the AIL [Ch][NTf2], which shows a strengthening of ion-ion interactions with increasing water content. (3) Self-association of water in both PIL-water systems leading to the presence of large aggregates of water in IL-rich compositions has been inferred. Water-water interactions in [DMEtA][NTf2] were found to be similar to those of dialkylimidazolium AILs, whereas these interactions were much larger in the PIL N,N-dimethylethanolammonium propionate ([DMEtA][Pr]), attributed to the change in anion-water interactions.

  16. Application of response surface methodology for optimization of ionic liquid-based dispersive liquid-liquid microextraction of cadmium from water samples.

    PubMed

    Rajabi, M; Kamalabadi, M; Jamali, M R; Zolgharnein, J; Asanjarani, N

    2013-06-01

    A new, rapid, and simple method for the determination of cadmium in water samples was developed using ionic liquid-based dispersive liquid-liquid microextraction (IL-DLLME) coupled to flame atomic absorption spectrometry (FAAS). In the proposed approach, 2-(5-boromo-2-pyridylazo)-5-(diethyamino) phenol was used as a chelating agent and 1-hexyl-3-methylimidazolium bis(trifluoro methylsulfonyl)imide and acetone were selected as extraction and dispersive solvents, respectively. Sample pH, concentration of chelating agent, amount of ionic liquid (extraction solvent), disperser solvent volume, extraction time, salt effect, and centrifugation speed were selected as interested variables in IL-DLLME process. The significant variables affecting the extraction efficiency were determined using a Placket-Burman design. Thereafter, the significant variables were optimized using a Box-Behnken design and the quadratic model between the dependent and the independent variables was built. The optimum experimental conditions obtained from this statistical evaluation included: pH: 6.7; concentration of chelating agent: 1.1 10(-) (3) mol L(-1); and ionic liquid: 50.0 mg. Under the optimum conditions, the preconcentration factor obtained was 100. Calibration graph was linear in the range of 0.2-60 µg L(-1) with correlation coefficient of 0.9992. The limit of detection was 0.06 µg L(-) (1), which is lower than other reported approaches applied to the determination of cadmium using FAAS. The relative SD (n = 8) was 2.4%. The proposed method was successfully applied to the determination of trace amounts of cadmium in the real water samples with satisfactory results.

  17. Ab initio calculation of the deuterium quadrupole coupling in liquid water

    NASA Astrophysics Data System (ADS)

    Eggenberger, Rolf; Gerber, Stefan; Huber, Hanspeter; Searles, Debra; Welker, Marc

    1992-10-01

    The quadrupole coupling constant and asymmetry parameter for the deuteron in liquid heavy water was determined using purely theoretical methods. Molecular-dynamics simulations with the ab initio potential-energy surface of Lie and Clementi were used to generate snapshots of the liquid. The electric-field gradient at the deuteron was then calculated for these configurations and averaged to obtain the liquid quadrupole coupling constant. At 300 K a quadrupole coupling constant of 256±5 kHz and an asymmetry parameter of 0.164±0.003 were obtained. The temperature dependence of the quadrupole coupling constant was investigated.

  18. Measurement and Estimation of Organic-Liquid/Water Interfacial Areas for Several Natural Porous Media

    SciTech Connect

    Brusseau, M.L.; Narter, M.; Schnaar, G.; Marble, J.

    2009-06-01

    The objective of this study was to quantitatively characterize the impact of porous-medium texture on interfacial area between immiscible organic liquid and water residing within natural porous media. Synchrotron X-ray microtomography was used to obtain high-resolution, three-dimensional images of solid and liquid phases in packed columns. The image data were processed to generate quantitative measurements of organic-liquid/water interfacial area and of organic-liquid blob sizes. Ten porous media, comprising a range of median grain sizes, grain-size distributions, and geochemical properties, were used to evaluate the impact of porous-medium texture on interfacial area. The results show that fluid-normalized specific interfacial area (A{sub f}) and maximum specific interfacial area (A{sub m}) correlate very well to inverse median grain diameter. These functionalities were shown to result from a linear relationship between effective organic-liquid blob diameter and median grain diameter. These results provide the basis for a simple method for estimating specific organic-liquid/water interfacial area as a function of fluid saturation for a given porous medium. The availability of a method for which the only parameter needed is the simple-to-measure median grain diameter should be of great utility for a variety of applications.

  19. Facilely Tuning Porous NiCo2 O4 Nanosheets with Metal Valence-State Alteration and Abundant Oxygen Vacancies as Robust Electrocatalysts Towards Water Splitting.

    PubMed

    Zhu, Chengzhou; Fu, Shaofang; Du, Dan; Lin, Yuehe

    2016-03-14

    Great efforts in developing clean electrochemical water splitting technology leads to the rational design and synthesis of highly efficient oxygen evolution reaction (OER) catalysts with low overpotential and fast reaction kinetics. Herein, we focus on the role that morphology and composition play in the OER performance to rationally design freestanding 3D porous NiCo2O4 nanosheets with metal valence states alteration and abundant oxygen vacancies as robust electrocatalysts towards water splitting. Besides metal valence-state alteration, surface modification regarding the evolution of oxygen vacancies is facilely realized upon the sodium borohydride treatment, which is beneficial for the enhanced OER performance. Taking advantage of the porous nanostructures and abundant surface activity sites with high reactivity, the resultant nanostructures exhibit excellent OER activity and stability in alkaline electrolytes that outperform that of pristine NiCo2O4 and commercial RuO2, thus holding great potential for the water splitting.

  20. An analysis of molecular packing and chemical association in liquid water using quasichemical theory.

    PubMed

    Paliwal, A; Asthagiri, D; Pratt, L R; Ashbaugh, H S; Paulaitis, M E

    2006-06-14

    We calculate the hydration free energy of liquid TIP3P water at 298 K and 1 bar using a quasi-chemical theory framework in which interactions between a distinguished water molecule and the surrounding water molecules are partitioned into chemical associations with proximal (inner-shell) waters and classical electrostatic-dispersion interactions with the remaining (outer-shell) waters. The calculated free energy is found to be independent of this partitioning, as expected, and in excellent agreement with values derived from the literature. An analysis of the spatial distribution of inner-shell water molecules as a function of the inner-shell volume reveals that water molecules are preferentially excluded from the interior of large volumes as the occupancy number decreases. The driving force for water exclusion is formulated in terms of a free energy for rearranging inner-shell water molecules under the influence of the field exerted by outer-shell waters in order to accommodate one water molecule at the center. The results indicate a balance between chemical association and molecular packing in liquid water that becomes increasingly important as the inner-shell volume grows in size.

  1. Liquid Water: Obtaining the right answer for the right reasons

    SciTech Connect

    Apra, Edoardo; Rendell, Alistair P.; Harrison, Robert J.; Tipparaju, Vinod; De Jong, Wibe A.; Xantheas, Sotiris S.

    2009-11-14

    Water is ubiquitous on our planet and plays an essential role in many chemical and biological processes. Accurate models for water are crucial in understanding, controlling and predicting the physical and chemical properties of complex aqueous systems. Over the last few years we have been developing a molecular-level based approach for a macroscopic model for water that is based on the explicit description of the underlying intermolecular interactions between molecules in water clusters. In the absence of detailed experimental data for small water clusters, highly-accurate theoretical results are required to validate and parameterize model potentials. As an example of the benchmarks needed for the development of accurate models for the interaction between water molecules, for the most stable structure of (H2O)20 we ran a coupled-cluster calculation on the ORNL’s Jaguar petaflop computer that used over 100 TB of memory for a sustained performance of 487 TFLOP/s (double precision) on 96,000 processors, lasting for 2 hours. By this summer we will have studied multiple structures of both (H2O)20 and (H2O)30 and completed basis set and other convergence studies and anticipate the sustained performance rising close to 1 PFLOP/s.

  2. Liquid Water: Obtaining the right answer for the right reasons

    SciTech Connect

    Apra, Edoardo; Harrison, Robert J; de Jong, Wibe A; Rendell, Alistair P; Tipparaju, Vinod; Xantheas, Sotiris

    2009-01-01

    Water is ubiquitous on our planet and plays an essential role in many chemical and biological processes. Accurate models for water are crucial in understanding, controlling and predicting the physical and chemical properties of complex aqueous systems. Over the last few years we have been developing a molecular-level based approach for a macroscopic model for water that is based on the explicit description of the underlying intermolecular interactions between molecules in water clusters. In the absence of detailed experimental data for small water clusters, highly-accurate theoretical results are required to validate and parameterize model potentials. As an example of the benchmarks needed for the development of accurate models for the interaction between water molecules, for the most stable structure of (H$_2$O)$_{20}$ we ran a coupled-cluster calculation on the ORNL's Jaguar petaflop computer that used over 100 TB of memory for a sustained performance of 487 TFLOP/s (double precision) on 96,000 processors, lasting for 2 hours. By this summer we will have studied multiple structures of both (H$_2$O)$_{20}$ and (H$_2$O)$_{30}$ and completed basis set and other convergence studies and anticipate the sustained performance rising close to 1 PFLOP/s.

  3. Fast screening of perfluorooctane sulfonate in water using vortex-assisted liquid-liquid microextraction coupled to liquid chromatography-mass spectrometry.

    PubMed

    Papadopoulou, Aikaterini; Román, Iván P; Canals, Antonio; Tyrovola, Konstantina; Psillakis, Elefteria

    2011-04-08

    Fast screening of trace amounts of the perfluorooctane sulfonate anion (PFOS) in water samples was performed following a simple, fast and efficient sample preparation procedure based on vortex-assisted liquid-liquid microextraction (VALLME) prior to liquid chromatography-mass spectrometry. VALLME initially uses vortex agitation, a mild emulsification procedure to disperse microvolumes of octanol, a low density extractant solvent, in the aqueous sample. Microextraction under equilibrium conditions is thus achieved within few minutes. Subsequently, centrifugation separates the two phases and restores the initial microdrop shape of the octanol acceptor phase, which can be collected and used for liquid chromatography-single quadrupole mass spectrometry analysis. Several experimental parameters were controlled and the optimum conditions found were: 50 μL of octanol as the extractant phase; 20 mL aqueous donor samples (pH=2); a 2 min vortex extraction time with the vortex agitator set at a 2500 rpm rotational speed; no ionic strength adjustment. Centrifugation for 2 min at 3500 rpm yielded separation of the two phases throughout this study. Enhanced extraction efficiencies were observed at low pH which was likely due to enhanced electrostatic interaction between the negatively PFOS molecules and the positively charged octanol/water interface. The effect of pH was reduced in the presence of sodium chloride, likely due to electrical double layer compression. The linear response range for PFOS was from 5 to 500 ng L(-1) (coefficient of determination, r(2), 0.997) and the relative standard deviation for aqueous solutions containing 10 and 500 ng L(-1) PFOS were 7.4% and 6.5%, respectively. The limit of detection was 1.6 ng L(-1) with an enrichment factor of approximately 250. Analysis of spiked tap, river and well water samples revealed that matrix did not affect extraction.

  4. Rheological changes and kinetics of water uptake by poly(ionic liquid)-based thin films.

    PubMed

    Benedetti, Tânia M; Torresi, Roberto M

    2013-12-17

    Water uptake by thin films composed of the poly(ionic liquid) poly[diallyldimethylammonium bis(trifluoromethanesulfonyl)imide] (PDDATf2N) and the ionic liquid N,N-butylmethylpyrrolidinium bis(trifluoromethanesulfonyl)imide (Pyr1.4Tf2N) was studied with a quartz crystal microbalance with dissipation. The data obtained for films with different compositions during the passage of dry and wet N2 flow through the films were simulated with the Kevin-Voigt viscoelastic model for assessment of the mass of uptake water as well as the viscoelastic parameters. Our results show that the ionic liquid acts as a plasticizer, reducing the rigidity of the film and decreasing the capacity of water uptake. Introduction to a Li salt (LiTf2N) increases the water uptake capacity and also affects both elastic and viscous parameters due to aggregation among the ions from the ionic liquid and Li(+). However, due to the preferable interaction of Li(+) ions with water molecules, these aggregates are broken when the film is hydrated. In short, the presence of water in such films affects their mechanical properties, which can reflect in their performances as solid state electrolytes and ion-conducting membranes for electrochemical applications.

  5. The dielectric behaviour of snow: A study versus liquid water content

    NASA Technical Reports Server (NTRS)

    Ambach, W.; Denoth, A.

    1980-01-01

    Snow is treated as a heterogeneous dielectric material consisting of ice, air, and water. The greater difference in the high frequency relative permittivity of dry snow and water allows to determine the liquid water content by measurements of the relative permittivity of snow. A plate condenser with a volume of about 1000 cv cm was used to measure the average liquid water content in a snow volume. Calibration was carried out using a freezing calorimeter. In order to measure the liquid water content in thin snow layers, a comb-shaped condenser was developed, which is the two dimensional analogon of the plate condenser. With this moisture meter the liquid water content was measured in layers of a few millimeters in thickness, whereby the effective depth of measurement is given by the penetration depth of electric field lines which is controlled by the spacing of the strip lines. Results of field measurements with both moisture meters, the plate condenser and the comb-shaped condenser, are given.

  6. Multimycotoxin analysis in water and fish plasma by liquid chromatography-tandem mass spectrometry.

    PubMed

    Tolosa, J; Font, G; Mañes, J; Ferrer, E

    2016-02-01

    High performance liquid chromatography-mass spectrometry was used for the determination of 15 mycotoxins in water and fish plasma samples, including aflatoxins, fumonisins, ochratoxin A, sterigmatocistin, fusarenon-X and emerging Fusarium mycotoxins. In this work, dispersive liquid-liquid microextraction (DLLME) was assessed as a sample treatment for the simultaneous extraction of mycotoxins. Results showed differences in recovery assays when different extraction solvents were employed. Ethyl acetate showed better recoveries for the major part of mycotoxins analyzed, except for aflatoxins B2, G1 and G2, which showed better recoveries when employing chloroform as extractant solvent. Fumonisins and beauvericin exhibited low recoveries in both water and plasma. This method was validated according to guidelines established by European Commission and has shown to be suitable to be applied in dietary and/or toxicokinetic studies in fish where is necessary to check mycotoxin contents in rearing water and fish plasma.

  7. Mid-tropospheric supercooled liquid water observation consistent with nucleation induced by a mountain lee wave

    NASA Astrophysics Data System (ADS)

    Madonna, Fabio; Russo, Felicita; Ware, Randolph; Pappalardo, Gelsomina

    2009-09-01

    A case study relative to the observation of unexpected liquid water in an apparently cloudless atmosphere is presented. Microwave radiometer profiler observations on 14 April 2008 at Boulder, Colorado, USA, showed an increase in the liquid water path with values higher than 0.05 mm and corresponding relative humidity saturation from 4.75 to 6.75 km above the ground level in profiles retrieved using a neural network algorithm. The formation of small supercooled droplets identified in the microwave retrieval of the temperature and relative humidity vertical profiles may result from nucleation stimulated by a mountain lee wave. The presented analysis reveals the existence of supercooled liquid water in the mid troposphere related to a wave activity that occurred in a sky condition classifiable as “clear” and describes an atmospheric scenario consistent with the observation of the so-called twilight zone.

  8. Effect of water uptake on morphology of polymerized ionic liquid block copolymers and random copolymers

    NASA Astrophysics Data System (ADS)

    Wang, Tsen-Shan; Ye, Yuesheng; Elabd, Yossef; Winey, Karen

    2012-02-01

    Dynamic studies of polymer morphology probe how the physical properties of polymerized ionic liquids are affected by the environment, such as temperature or moisture. For a series of poly(methyl methacrylate-b-1-[2-(methacryloyloxy)ethyl]-3-Butylimidazolium X^-) block and random copolymers with hydrophilic counterions (X^- = Br^-, HCO3^-, OH^-), the introduction of water vapor to the system can swell the ionic liquid block, causing enlarged hydrophilic domains and swollen channels for ion conduction. This expected expansion of ionic liquid domains in humid environments can be used to intelligently design these copolymers for use in technological applications. The effect of water vapor exposure in these imidazolium-based acrylate polymers is studied by small-angle X-ray scattering. These morphology results will be discussed alongside complementary studies of water uptake and ion conductivity.

  9. Bubbles in liquids with phase transition. Part 1. On phase change of a single vapor bubble in liquid water

    NASA Astrophysics Data System (ADS)

    Dreyer, Wolfgang; Duderstadt, Frank; Hantke, Maren; Warnecke, Gerald

    2012-11-01

    In the forthcoming second part of this paper a system of balance laws for a multi-phase mixture with many dispersed bubbles in liquid is derived where phase transition is taken into account. The exchange terms for mass, momentum and energy explicitly depend on evolution laws for total mass, radius and temperature of single bubbles. Therefore in the current paper we consider a single bubble of vapor and inert gas surrounded by the corresponding liquid phase. The creation of bubbles, e.g. by nucleation is not taken into account. We study the behavior of this bubble due to condensation and evaporation at the interface. The aim is to find evolution laws for total mass, radius and temperature of the bubble, which should be as simple as possible but consider all relevant physical effects. Special attention is given to the effects of surface tension and heat production on the bubble dynamics as well as the propagation of acoustic elastic waves by including slight compressibility of the liquid phase. Separately we study the influence of the three phenomena heat conduction, elastic waves and phase transition on the evolution of the bubble. We find ordinary differential equations that describe the bubble dynamics. It turns out that the elastic waves in the liquid are of greatest importance to the dynamics of the bubble radius. The phase transition has a strong influence on the evolution of the temperature, in particular at the interface. Furthermore the phase transition leads to a drastic change of the water content in the bubble. It is shown that a rebounding bubble is only possible, if it contains in addition an inert gas. In Part 2 of the current paper the equations derived are sought in order to close the system of equations for multi-phase mixture balance laws for dispersed bubbles in liquids involving phase change.

  10. Freely accessible water does not decrease consumption of ethanol liquid diets.

    PubMed

    de Fiebre, NancyEllen C; de Fiebre, Christopher M

    2003-02-01

    In experimental studies, liquid ethanol diets are usually given as the sole source of nutrition and fluid. Two series of experiments were conducted to examine the effect of freely accessible water on the consumption of ethanol liquid diets in male Long-Evans rats. The consumption of diets and subsequent learning ability of rats were first examined in animals given twice-daily saline injections. One group received diet with no access to water for 12 weeks and was subsequently given free access to water with diets for an additional 12 weeks. A second group was given diet and water ad libitum for 24 weeks. Control animals received an isocaloric sucrose-containing diet (with or without ad libitum access to water). Subsequently, rats were tested for active avoidance learning. In the first 12 weeks, animals with ad libitum access to water drank more diet than did water-restricted animals, and previously water-restricted animals increased their diet consumption when access to water was freely available. All water-restricted animals, in both ethanol- and sucrose-treated groups, showed deficits in active avoidance learning, whereas only ethanol-treated animals in groups with ad libitum access to water showed learning deficits. In the second series of experiments, the effect of saline injections on diet consumption, both in the presence and absence of water, was examined. Although saline injections were associated with decreased diet consumption, there was no effect of free access to water. No differences in blood ethanol concentration were seen among groups. Findings obtained from both series of studies demonstrate that consumption of a Sustacal-based liquid ethanol diet does not decrease if access to water is freely available.

  11. Gas-liquid-liquid equilibria in mixtures of water, light gases, and hydrocarbons

    SciTech Connect

    Chao, K.C.

    1990-01-01

    Phase equilibrium in mixtures of water + light gases and water + heavy hydrocarbons has been investigated with the development of new local composition theory, new equations of state, and new experimental data. The preferential segregation and orientation of molecules due to different energies of molecular interaction has been simulated with square well molecules. Extensive simulation has been made for pure square well fluids and mixtures to find the local composition at wide ranges of states. A theory of local composition has been developed and an equation of state has been obtained for square well fluids. The new local composition theory has been embedded in several equations of state. The pressure of water is decoupled into a polar pressure and non-polar pressure according to the molecular model of water of Jorgensen et al. The polar pressure of water is combined with the BACK equation for the general description of polar fluids and their mixtures. Being derived from the steam table, the Augmented BACK equation is particularly suited for mixtures of water + non-polar substances such as the hydrocarbons. The hydrophobic character of the hydrocarbons had made their mixtures with water a special challenge. A new group contribution equation of state is developed to describe phase equilibrium and volumetric behavior of fluids while requiring only to know the molecular structure of the components. 15 refs., 1 fig.

  12. Removal of Multiple Contaminants from Water by Polyoxometalate Supported Ionic Liquid Phases (POM-SILPs).

    PubMed

    Herrmann, Sven; De Matteis, Laura; de la Fuente, Jesús M; Mitchell, Scott G; Streb, Carsten

    2017-02-01

    The simultaneous removal of organic, inorganic, and microbial contaminants from water by one material offers significant advantages when fast, facile, and robust water purification is required. Herein, we present a supported ionic liquid phase (SILP) composite where each component targets a specific type of water contaminant: a polyoxometalate-ionic liquid (POM-IL) is immobilized on porous silica, giving the heterogeneous SILP. The water-insoluble POM-IL is composed of antimicrobial alkylammonium cations and lacunary polyoxometalate anions with heavy-metal binding sites. The lipophilicity of the POM-IL enables adsorption of organic contaminants. The silica support can bind radionuclides. Using the POM-SILP in filtration columns enables one-step multi-contaminant water purification. The results show how multi-functional POM-SILPs can be designed for advanced purification applications.

  13. Formation of Martian Gullies by the Action of Liquid Water Flowing Under Current Martian Environmental Conditions

    NASA Technical Reports Server (NTRS)

    Heldmann, J. L.; Toon, O. B.; Pollard, W. H.; Mellon, M. T.; Pitlick, J.; McKay, C. P.; Andersen, D. T.

    2005-01-01

    Images from the Mars Orbiter Camera (MOC) on the Mars Global Surveyor (MGS) spacecraft show geologically young small-scale features resembling terrestrial water-carved gullies. An improved understanding of these features has the potential to reveal important information about the hydrological system on Mars, which is of general interest to the planetary science community as well as the field of astrobiology and the search for life on Mars. The young geologic age of these gullies is often thought to be a paradox because liquid water is unstable at the Martian surface. Current temperatures and pressures are generally below the triple point of water (273 K, 6.1 mbar) so that liquid water will spontaneously boil and/or freeze. We therefore examine the flow of water on Mars to determine what conditions are consistent with the observed features of the gullies.

  14. Rheological properties of ammonia-water liquids and crystal-liquid slurries - Planetological applications

    NASA Technical Reports Server (NTRS)

    Kargel, J. S.; Croft, S. K.; Lunine, J. I.; Lewis, J. S.

    1991-01-01

    The laboratory-measured viscosities of liquid mixtures representative of the variety of cryovolcanic substances of the icy satellites are presently noted to be much greater than could be expected on the assumption that end-member molecules are noninteractive; this observation is supported by others concerning molar volumes and vapor pressure relations, which indicate the presence of strong molecular-interaction forces that fundamentally affect the mixtures' physical properties. Since the rheological effects of partial crystallization parallel the characteristics of silicate lavas, icy satellite cryovolcanic morphologies are similarly interpretable with allowances for differences in surface gravities and lava densities.

  15. Short-range precipitation forecasts using assimilation of simulated satellite water vapor profiles and column cloud liquid water amounts

    NASA Technical Reports Server (NTRS)

    Wu, Xiaohua; Diak, George R.; Hayden, Cristopher M.; Young, John A.

    1995-01-01

    These observing system simulation experiments investigate the assimilation of satellite-observed water vapor and cloud liquid water data in the initialization of a limited-area primitive equations model with the goal of improving short-range precipitation forecasts. The assimilation procedure presented includes two aspects: specification of an initial cloud liquid water vertical distribution and diabatic initialization. The satellite data is simulated for the next generation of polar-orbiting satellite instruments, the Advanced Microwave Sounding Unit (AMSU) and the High-Resolution Infrared Sounder (HIRS), which are scheduled to be launched on the NOAA-K satellite in the mid-1990s. Based on cloud-top height and total column cloud liquid water amounts simulated for satellite data a diagnostic method is used to specify an initial cloud water vertical distribution and to modify the initial moisture distribution in cloudy areas. Using a diabatic initialization procedure, the associated latent heating profiles are directly assimilated into the numerical model. The initial heating is estimated by time averaging the latent heat release from convective and large-scale condensation during the early forecast stage after insertion of satellite-observed temperature, water vapor, and cloud water formation. The assimilation of satellite-observed moisture and cloud water, together withy three-mode diabatic initialization, significantly alleviates the model precipitation spinup problem, especially in the first 3 h of the forecast. Experimental forecasts indicate that the impact of satellite-observed temperature and water vapor profiles and cloud water alone in the initialization procedure shortens the spinup time for precipitation rates by 1-2 h and for regeneration of the areal coverage by 3 h. The diabatic initialization further reduces the precipitation spinup time (compared to adiabatic initialization) by 1 h.

  16. Dispersive liquid-liquid microextraction for four phenolic environmental estrogens in water samples followed by determination using capillary electrophoresis.

    PubMed

    Liu, Junying; Lu, Wenhui; Liu, Huitao; Wu, Xiaqing; Li, Jinhua; Chen, Lingxin

    2016-10-01

    Dispersive liquid-liquid microextraction (DLLME) coupled with CE was successfully developed for simultaneous determination of four types of phenolic environmental estrogens (PEEs), namely hexestrol (HS), bisphenol A (BPA), diethylstilbestrol (DES) and dienestrol (DS). Several parameters affecting DLLME and CE conditions were systematically investigated including the type and volume of extraction solvent and dispersive solvent, extraction time, salt, pH value, surfactant, buffer solution and so on. Under the optimal conditions, DLLME-CE exhibited strong enrichment ability, presenting high enrichment factors of 467, 241, 367 and 362 for HS, BPA, DES and DS, respectively, as well as low detection limits of 0.3, 0.6, 0.6 and 0.3 μg/L, respectively. Excellent linearity was achieved in the range of 2.0-150 μg/L for HS and DS, and 4.0-300 μg/L for BPA and DES, with correlation coefficients R>0.9983. Recoveries ranging from 70.4 to 108.1% were obtained with tap water, lake water and seawater samples spiked at three concentration levels and the relative standard deviations (RSDs, for n = 5) were 2.1-9.7%. This DLLME-CE method with high selectivity and sensitivity, high stability, simplicity, cost-effectiveness, eco-friendliness was proved potentially applicable for the rapid and simultaneous determination of PEEs in complicated water samples.

  17. Molecular dynamics simulation for vapor-liquid coexistence of water in nanocylinder

    NASA Astrophysics Data System (ADS)

    Mima, Toshiki; Kinefuchi, Ikuya; Yoshimoto, Yuta; Miyoshi, Nobuya; Fukushima, Akinori; Tokumasu, Takashi; Takagi, Shu; Matsumoto, Yoichiro

    2013-03-01

    Molecular dynamics simulation was conducted in order to investigate the vapor-liquid coexistence of the water molecules in nanopore. In this research, the Lennard-Jones energy parameter between a water molecule and an atom of nanopore was optimized so as to model the contact angle between a water droplet and the carbon material in the fuel cell. The TIP4P/2005 as the model of a water molecule was used; this model produces well the vapor-liquid coexistence line. All of the systems were equilibrated by Nosé-Hoover thermostat. The electrostatic interaction between water molecules was calculated through smooth particle mesh Ewald method. First, we equilibrated a water plug in the single-wall atomistic nanocylinder as a model of nanopore in the fuel cell with radius 1.3nm. Water molecules burst from an interface of the water plug in equilibration. Then, the equilibrium densities both in dense and dilute region ware sampled over 1 ns. The vapor-liquid coexistence line, density profile, free energy profile will be presented in the session.

  18. A polarized liquid-liquid interface meets visible light-driven catalytic water oxidation.

    PubMed

    Rastgar, Shokoufeh; Pilarski, Martin; Wittstock, Gunther

    2016-09-15

    Hyperbranched nanostructured bismuth vanadate at a chemically polarized water/organic interface is applied for efficient visible light-driven catalytic oxidation of water in the presence of [Co(bpy)3](PF6)3 as an organic soluble electron acceptor. The photocurrent response originating from the transfer of photo-excited electrons in BiVO4 to [Co(bpy)3](3+) is measured by scanning electrochemical microscopy.

  19. Volumetric properties of human islet amyloid polypeptide in liquid water.

    PubMed

    Brovchenko, I; Andrews, M N; Oleinikova, A

    2010-04-28

    The volumetric properties of human islet amyloid polypeptide (hIAPP) in water were studied in a wide temperature range by computer simulations. The intrinsic density rho(p) and the intrinsic thermal expansion coefficient alpha(p) of hIAPP were evaluated by taking into account the difference between the volumetric properties of hydration and bulk water. The density of hydration water rho(h) was found to decrease almost linearly with temperature upon heating and its thermal expansion coefficient was found to be notably higher than that of bulk water. The peptide surface exposed to water is more hydrophobic and its rho(h) is smaller in conformation with a larger number of intrapeptide hydrogen bonds. The two hIAPP peptides studied (with and without disulfide bridge) show negative alpha(p), which is close to zero at 250 K and decreases to approximately -1.5 x 10(-3) K(-1) upon heating to 450 K. The analysis of various structural properties of peptides shows a correlation between the intrinsic peptide volumes and the number of intrapeptide hydrogen bonds. The obtained negative values of alpha(p) can be attributed to the shrinkage of the inner voids of the peptides upon heating.

  20. Coexistence of ice clusters and liquid-like water clusters on the Ru(0001) surface.

    PubMed

    Liu, Feng; Sturm, J M; Lee, Chris J; Bijkerk, Fred

    2017-03-10

    The RAIRS spectra of water adsorbed on Ru(0001) at 85 K are recorded from 600 cm(-1) to 4000 cm(-1). Measured at water coverages from 0.13 ML to 2.0 ML, the RAIRS spectra suggest that chemisorption of water on Ru(0001) depends on coverage. Water adsorbs on a clean Ru surface as chemisorbed ice-like clusters (likely through an O-Ru bond) up to 0.33 ML. Above this coverage, the chemisorbed layer saturates. Upon more exposure, water adsorbs as a liquid-like H-bonded layer without bonding to the Ru substrate. The chemisorbed water absorbs 7 times less IR per molecule than the liquid-like structure, which indicates that the orientation of the chemisorbed water is more parallel to the surface. Additionally, the influence of water-Ru bonding on H-bonding is reflected in the OH symmetric stretching mode. Under perturbation from water-Ru bonding, a large red shift (40 cm(-1)) in the free OH stretching frequency is observed in the chemisorbed clusters. By deconvoluting the main H-bonded OH stretching peak into five Gaussia