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. Constraining the Surficial Liquid Water and Resulting Atmospheric Water Vapor Abundance at Recurring Slope Lineae (RSL) Locations on Mars

    NASA Astrophysics Data System (ADS)

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

    2017-10-01

    Possible signatures of atmospheric water vapor arising from Martian Recurring Slope Lineae (RSLs) are investigated in this study. RSLs appear during local spring and summer on downward, equator-facing slopes at southern mid-latitudes (~31-52°S Stillman et al. 2014), and have been linked to liquid water which leaves behind streaks of briny material (McEwen et al. 2011, McEwen et al. 2014). Viking Orbiter Mars Atmospheric Water Detector (VO MAWD) and Mars Global Surveyor Thermal Emission Spectrometer (MGS TES) derived atmospheric water vapor abundance values are interrogated to determine whether four RSL locations at southern mid-latitudes (Palikir Crater, Hale Crater, Horowitz Crater, Coprates Chasma) exhibit episodic, enhanced local atmospheric water vapor abundance during southern spring and summer (Ls = 180-360°) when RSLs are observed to develop (Stillman et al. 2014, Ojha et al. 2015). Significant water vapor signals at these locations might reveal RSLs as the source of the enhanced water vapor. Detected atmospheric water vapor signals would expand upon current knowledge of RSLs, whereas non-detection could provide upper limits on RSL water source content. In order to assess how much surficial RSL water would be required to produce a detectable signal, we utilize the high spatial resolution Geophysical Fluid Dynamics Laboratory Mars Climate General Circulation Model to simulate the evaporation of RSL-producing surface water and quantify the magnitude and temporal duration of water vapor content that might be anticipated in response to inferred RSL surface water release. Finally, we will assess the ability of past and future orbiter-based instruments to detect such water vapor quantities.

  3. 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.

  4. Water: The Strangest Liquid

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

    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 ofmore » the most fundamental substances of life.« less

  5. 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

  6. Effect of water irrigation volume on Capsicum frutescens growth and plankton abundance in aquaponics system

    NASA Astrophysics Data System (ADS)

    Andriani, Y.; Dhahiyat, Y.; Zahidah; Subhan, U.; Iskandar; Zidni, I.; Mawardiani, T.

    2018-03-01

    This study aimed to understand Capsicum frutescens growth and plankton abundance in aquaponics culture. A Completely Randomized Design (CRD) with six treatments in triplicates comprising of treatment A (positive control using organic liquid fertilizer), B (negative control without fertilizer), C (drip irrigation aquaponics with a water debit of 100 ml/day/plant), D (drip irrigation aquaponics with a water debit of 150 ml/day/plant), E (drip irrigation with a water debit of 200 ml/day/plant), and F (drip irrigation aquaponics with a water debit of 250 ml/day/plant) was applied. The water used in treatments C, D, E, and F contained comet fish feces as fertilizer. C. frutescens growth and plankton abundance were observed. Analysis was conducted using analysis of variance for plant productivity and descriptive analysis for plankton abundance and water quality. The results of this study showed that the highest plant growth was seen in plants receiving F treatment with 50 ml/day drip irrigation. However, no significant difference was found when compared to the positive control with organic artificial fertilizer. Eleven types of phytoplankton and six types of zooplankton were found, with Stanieria sp. as the most abundant phytoplankton and Brachionus sp. and Epistylis sp. as the most abundant zooplanktons.

  7. Water: A Tale of Two Liquids

    DOE PAGES

    Gallo, Paola; Amann-Winkel, Katrin; Angell, Charles Austen; ...

    2016-07-05

    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 ambientmore » 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

  8. Water: A Tale of Two Liquids

    PubMed Central

    2016-01-01

    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. On the abundance of planetary water and exo-life after Kepler

    NASA Astrophysics Data System (ADS)

    Wandel, Amri

    2015-08-01

    Combining the recent results of the Kepler mission on the abundance of small planets within the Habitable Zone with a Drake-equation formalism I derive the space density of planets with surface water and biotic planets as a function of the yet unknown probabilities for the evolution of an Earthlike atmosphere and biosphere, respectively. I describe how these probabilities may be estimated by future spectral observations of exoplanet biomarkers such as atmospheric oxygen and water. I find that planets with surface liquid water may be expected within 10 light years and biotic planets within 10 -- 100 light years from Earth. ArXiv 1412.1302.

  10. 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

  11. Liquid Hot Water Pretreatment of Olive Tree Pruning Residues

    NASA Astrophysics Data System (ADS)

    Cara, Cristóbal; Romero, Inmaculada; Oliva, Jose Miguel; Sáez, Felicia; Castro, Eulogio

    Olive tree pruning generates an abundant, renewable lignocellulose residue, which is usually burnt on fields to prevent propagation of vegetal diseases, causing economic costs and environmental concerns. As a first step in an alternative use to produce fuel ethanol, this work is aimed to study the pretreatment of olive tree pruning residues by liquid hot water. Pretreatment was carried out at seven temperature levels in the range 170-230°C for 10 or 60 min. Sugar recoveries in both solid and liquid fractions resulting from pretreatment as well as enzymatic hydrolysis yield of the solid were used to evaluate pretreatment performance. Results show that the enzyme accessibility of cellulose in the pretreated solid fraction increased with pretreatment time and temperature, although sugar degradation in the liquid fraction was concomitantly higher.

  12. 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

  13. 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

  14. 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

  15. Understanding the liquid-liquid (water-hexane) interface

    NASA Astrophysics Data System (ADS)

    Murad, Sohail; Puri, Ishwar K.

    2017-10-01

    Nonequilibrium molecular dynamics simulations are employed to investigate the interfacial thermal resistance of nanoscale hexane-water interfaces subject to an applied heat flux. Our studies show that these liquid-liquid interfaces exhibit behavior significantly dissimilar to that of solid-liquid and solid-vapor interfaces. Notably, the thermal resistance of a hexane-water interface is contingent on the interfacial temperature gradient alone with negligible dependence on the mean interfacial temperature, while the solid-liquid dependent strongly on the interfacial temperature. Application of a heat flux also increases the interface thickness significantly as compared to an equilibrium isothermal interface. Since liquid-liquid interfaces have been proposed for diverse applications, e.g., sensors for wastewater treatment and for extraction of toxic ions from water, they can be designed to be wider by applying a heat flux. This may allow the interface to be used for other applications not possible currently because of the very limited thickness of the interface in isothermal systems.

  16. Experimental evidence of a liquid-liquid transition in interfacial water

    NASA Astrophysics Data System (ADS)

    Zanotti, J.-M.; Bellissent-Funel, M.-C.; Chen, S.-H.

    2005-07-01

    At ambient pressure, bulk liquid water shows an anomalous increase of thermodynamic quantities and apparent divergences of dynamic properties on approaching a temperature Ts of 228 K. At normal pressure, supercooled water spontaneously freezes below the homogeneous nucleation temperature, TH = 235 K. Upon heating, the two forms of Amorphous Solid Water (ASW), LDA (Low Density Amorphous Ice) and HDA (High Density Amorphous Ice), crystallise above TX = 150 K. As a consequence, up to now no experiment has been able to explore the properties of liquid water in this very interesting temperature range between 150 and 235 K. We present nanosecond-time-scale measurements of local rotational and translational dynamics of interfacial, non-crystalline, water from 77 to 280 K. These experimental dynamic results are combined with calorimetric and diffraction data to show that after exhibiting a glass transition at 165 K, interfacial water experiences a first-order liquid-liquid transition at 240 K from a low-density to a high-density liquid. This is the first direct evidence of the existence of a liquid-liquid transition involving water.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Abundance and characteristics of lignin liquid intermediates in wood (Pinus ponderosa Dougl. ex Laws.) during hot water extraction

    Treesearch

    Manuel Raul Pelaez-Samaniego; Vikram Yadama; Manuel Garcia-Perez; Eini Lowell

    2015-01-01

    The objective of this research was to investigate the effects of the conditions of hot water extraction (HWE) on abundance, properties, and structure of lignin depolymerization products. HWE of extracted softwood (ponderosa pine) was conducted using temperatures from 140 to 320°C for 90 min. HWE materials were then subjected to a soxhlet...

  2. Water at silica/liquid water interfaces investigated by DFT-MD simulations

    NASA Astrophysics Data System (ADS)

    Gaigeot, Marie-Pierre

    This talk is dedicated to probing the microscopic structural organization of water at silica/liquid water interfaces including electrolytes by first principles DFT-based molecular dynamics simulations (DFT-MD). We will present our very recent DFT-MD simulations of electrolytic (KCl, NaCl, NaI) silica/liquid water interfaces in order to unravel the intertwined structural properties of water and electrolytes at the crystalline quartz/liquid water and amorphous silica/liquid water interfaces. DFT-MD simulations provide direct knowledge of the structural organization of water and the H-Bond network formed between the water molecules within the different water layers above the silica surface. One can furthermore extract vibrational signatures of the water molecules within the interfacial layers from the DFT-MD simulations, especially non-linear SFG (Sum Frequency generation) signatures that are active at solid/liquid interfaces. The strength of the simulated spectra is that a detailed analysis of the signatures in terms of the water/water H-Bond networks formed within the interfacial water layers and in terms of the water/silica or water/electrolytes H-Bond networks can be given. Comparisons of SFG spectra between quartz/water/electrolytes and amorphous silica/water/electrolytes interfaces allow us to definitely conclude on how the structural arrangements of liquid water at these electrolytic interfaces modulate the final spectroscopic signatures. Invited speaker.

  3. 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.

  4. Modeling the relationship between water level, wild rice abundance, and waterfowl abundance at a central North American wetland

    USGS Publications Warehouse

    Aagaard, Kevin; Eash, Josh D.; Ford, Walt; Heglund, Patricia J.; McDowell, Michelle; Thogmartin, Wayne E.

    2018-01-01

    Recent evidence suggests wild rice (Zizania palustris), an important resource for migrating waterfowl, is declining in parts of central North America, providing motivation to rigorously quantify the relationship between waterfowl and wild rice. A hierarchical mixed-effects model was applied to data on waterfowl abundance for 16 species, wild rice stem density, and two measures of water depth (true water depth at vegetation sampling locations and water surface elevation). Results provide evidence for an effect of true water depth (TWD) on wild rice abundance (posterior mean estimate for TWD coefficient, β TWD = 0.92, 95% confidence interval = 0.11—1.74), but not for an effect of wild rice stem density or water surface elevation on local waterfowl abundance (posterior mean values for relevant parameters overlapped 0). Refined protocols for sampling design and more consistent sampling frequency to increase data quality should be pursued to overcome issues that may have obfuscated relationships evaluated here.

  5. Evaluating the Liquid Liquid Phase Transition Hypothesis of Supercoooled Water

    NASA Astrophysics Data System (ADS)

    Limmer, David; Chandler, David

    2011-03-01

    To explain the anomalous behavior of supercooled water it has been conjectured that buried within an experimentally inaccessible region of liquid water's phase diagram there exists a second critical point, which is the terminus of a first order transition line between two distinct liquid phases. The so-called liquid-liquid phase transition (LLPT) has since generated much study, though to date there is no consensus on its existence. In this talk, we will discuss our efforts to systematically study the metastable phase diagram of supercooled water through computer simulation. By employing importance-sampling techniques, we have calculated free energies as a function of the density and long-range order to determine unambiguously if two distinct liquid phases exist. We will argue that, contrary to the LLPT hypothesis, the observed phenomenology can be understood as a consequence of the limit of stability of the liquid far away from coexistence. Our results suggest that homogeneous nucleation is the cause of the increased fluctuations present upon supercooling. Further we will show how this understanding can be extended to explain experimental observations of hysteresis in confined supercooled water systems.

  6. 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.

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

    NASA Astrophysics Data System (ADS)

    Limmer, David T.; Chandler, David

    2011-10-01

    We use numerical simulation to examine the possibility of a reversible liquid-liquid transition in supercooled water and related systems. In particular, for two atomistic models of water, we have computed free energies as functions of multiple order parameters, where one is density and another distinguishes crystal from liquid. For a range of temperatures and pressures, separate free energy basins for liquid and crystal are found, conditions of phase coexistence between these phases are demonstrated, and time scales for equilibration are determined. We find that at no range of temperatures and pressures is there more than a single liquid basin, even at conditions where amorphous behavior is unstable with respect to the crystal. We find a similar result for a related model of silicon. This result excludes the possibility of the proposed liquid-liquid critical point for the models we have studied. Further, we argue that behaviors others have attributed to a liquid-liquid transition in water and related systems are in fact reflections of transitions between liquid and crystal.

  8. 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.

  9. The scaling of urban surface water abundance and impairment with city size

    NASA Astrophysics Data System (ADS)

    Steele, M. K.

    2018-03-01

    Urbanization alters surface water compared to nonurban landscapes, yet little is known regarding how basic aquatic ecosystem characteristics, such as the abundance and impairment of surface water, differ with population size or regional context. This study examined the abundance, scaling, and impairment of surface water by quantifying the stream length, water body area, and impaired stream length for 3520 cities in the United States with populations from 2500 to 18 million. Stream length, water body area, and impaired stream length were quantified using the National Hydrography Dataset and the EPA's 303(d) list. These metrics were scaled with population and city area using single and piecewise power-law models and related to biophysical factors (precipitation, topography) and land cover. Results show that abundance of stream length and water body area in cities actually increases with city area; however, the per person abundance decreases with population size. Relative to population, impaired stream length did not increase until city populations were > 25,000 people, then scaled linearly with population. Some variation in abundance and impairment was explained by biophysical context and land cover. Development intensity correlated with stream density and impairment; however, those relationships depended on the orientation of the land covers. When high intensity development occupied the local elevation highs (+ 15 m) and undeveloped land the elevation lows, the percentage of impaired streams was less than the opposite land cover orientation (- 15 m) or very flat land. These results show that surface water abundance and impairment across contiguous US cities are influenced by city size and by biophysical setting interacting with land cover intensity.

  10. Preliminary Martian Atmospheric Water Vapour Column Abundances with Mars Climate Sounder

    NASA Astrophysics Data System (ADS)

    Lolachi, Ramin; Irwin, P. G. J.; Teanby, N.; Calcutt, S.; Howett, C. J. A.; Bowles, N. E.; Taylor, F. W.; Schofield, J. T.; Kleinboehl, A.; McCleese, D. J.

    2007-12-01

    Mars Climate Sounder (MCS) is an infra-red radiometer on board NASA's Mars Reconnaissance Orbiter (MRO) launched in August 2005 and now orbiting Mars in a near circular polar orbit. MCS has nine spectral channels in the range 0.3-50 µm. Goals of MCS include global characterization of atmospheric temperature, dust and water profiles observing temporal and spatial variation. Using Oxford University's multivariate retrieval algorithm, NEMESIS, we present preliminary determinations of the water vapour column abundance in the Martian atmosphere during the period September-October 2006 (Ls range 111-129°, i.e. northern hemisphere summer). A combination of spectral channels inside and outside the water vapour rotation band (at 50 µm) are used to retrieve the column abundances mainly using nadir observations (as aerosol opacity is less important relative to water vapour opacity in nadir viewing geometry). We then compare these column abundances to earlier results from the Viking Orbiter Mars Atmospheric Water Detectors (MAWD) and the Thermal Emission Spectrometer (TES) on Mars Global Surveyor.

  11. Decompression-induced melting of ice IV and the liquid-liquid transition in water

    NASA Astrophysics Data System (ADS)

    Mishima, Osamu; Stanley, H. Eugene

    1998-03-01

    Although liquid water has been the focus of intensive research for over 100 years, a coherent physical picture that unifies all of the known anomalies of this liquid, is still lacking. Some of these anomalies occur in the supercooled region, and have been rationalized on the grounds of a possible retracing of the liquid-gas spinodal (metastability limit) line into the supercooled liquid region, or alternatively the presence of a line of first-order liquid-liquid phase transitions in this region which ends in a critical point,. But these ideas remain untested experimentally, in part because supercooled water can be probed only above the homogeneous nucleation temperature TH at which water spontaneously crystallizes. Here we report an experimental approach that is not restricted by the barrier imposed by TH, involving measurement of the decompression-induced melting curves of several high-pressure phases of ice in small emulsified droplets. We find that the melting curve for ice IV seems to undergo a discontinuity at precisely the location proposed for the line of liquid-liquid phase transitions. This is consistent with, but does not prove, the coexistence of two different phases of (supercooled) liquid water. From the experimental data we calculate a possible Gibbs potential surface and a corresponding equation of state for water, from the forms of which we estimate the coordinates of the liquid-liquid critical point to be at pressure Pc ~ 0.1GPa and temperature Tc ~ 220K.

  12. The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water

    NASA Astrophysics Data System (ADS)

    Chandler, David; Limmer, David

    2013-03-01

    Our detailed and controlled studies of free energy surfaces for models of water find no evidence for reversible polyamorphism, and a general theoretical analysis of the phase behavior of cold water in nano pores shows that measured behaviors of these systems reflect surface modulation and dynamics of ice, not a liquid-liquid critical point. A few workers reach different conclusions, reporting evidence of a liquid-liquid critical point in computer simulations of supercooled water. In some cases, it appears that these contrary results are based upon simulation algorithms that are inconsistent with principles of statistical mechanics, such as using barostats that do not reproduce the correct distribution of volume fluctuations. In other cases, the results appear to be associated with difficulty equilibrating the supercooled material and mistaking metastability for coarsening of the ordered ice phase. In this case, sufficient information is available for us to reproduce the contrary results and to establish that they are artifacts of finite time sampling. This finding leads us to the conclusion that two distinct, reversible liquid phases do not exist in models of supercooled water.

  13. viral abundance distribution in deep waters of the Northern of South China Sea

    NASA Astrophysics Data System (ADS)

    He, Lei; Yin, Kedong

    2017-04-01

    Little is known about the vertical distribution and interaction of viruses and bacteria in the deep ocean water column. The vertical distribution of viral-like particles and bacterial abundance was investigated in the deep water column in the South China Sea during September 2005 along with salinity, temperature and dissolved oxygen. There were double maxima in the ratio of viral to bacterial abundance (VBR) in the water column: the subsurface maximum located at 50-100 m near the pycnocline layer, and the deep maximum at 800-1000 m. At the subsurface maximum of VBR, both viral and bacterial abundance were maximal in the water column, and at the deep maximum of VBR, both viral and bacterial abundance were low, but bacterial abundance was relatively lower than viral abundance. The subsurface VBR maximum coincided with the subsurface chlorophyll maximum while the deep VBR maximum coincided with the minimum in dissolved oxygen (2.91mg L-1). Therefore, we hypothesize that the two maxima were formed by different mechanisms. The subsurface VBR maximum was formed due to an increase in bacterial abundance resulting from the stimulation of abundant organic supply at the subsurface chlorophyll maximum, whereas the deep VBR maximum was formed due to a decrease in bacterial abundance caused by more limitation of organic matter at the oxygen minimum. The evidence suggests that viruses play an important role in controlling bacterial abundance in the deep water column due to the limitation of organic matter supply. In turn, this slows down the formation of the oxygen minimum in which oxygen may be otherwise lower. The mechanism has a great implication that viruses could control bacterial decomposition of organic matter, oxygen consumption and nutrient remineralization in the deep oceans.

  14. Water in Massive protostellar objects: first detection of THz water maser and water inner abundance.

    NASA Astrophysics Data System (ADS)

    Herpin, Fabrice

    2014-10-01

    The formation massive stars is still not well understood. Despite numerous water line observations with Herschel telescope, over a broad range of energies, in most of the observed sources the WISH-KP (Water In Star-forming regions with Herschel, Co-PI: F. Herpin) observations were not able to trace the emission from the hot core. Moreover, water maser model predict that several THz water maser should be detectable in these objects. We aim to detect for the first time the THz maser lines o-H2O 8(2,7)- 7(3,4) at 1296.41106 GHz and p-H2O 7(2,6)- 6(3,3) at 1440.78167 GHz as predicted by the model. We propose two sources for a northern flight as first priority and two other sources for a possible southern flight. This will 1) constrain the maser theory, 2) constrain the physical conditions and water abundance in the inner layers of the prostellar environnement. In addition, we will use the p-H2O 3(3,1)- 4(0,4) thermal line at 1893.68651 GHz (L2 channel) in order to probe the physical conditions and water abundance in the inner layers of the prostellar objects where HIFI-Herschel has partially failed.

  15. High-Performance Computing Data Center Warm-Water Liquid Cooling |

    Science.gov Websites

    Computational Science | NREL Warm-Water Liquid Cooling High-Performance Computing Data Center Warm-Water Liquid Cooling NREL's High-Performance Computing Data Center (HPC Data Center) is liquid water Liquid cooling technologies offer a more energy-efficient solution that also allows for effective

  16. Effects of effluent water on the abundance of cowpea insect pests.

    PubMed

    Tiroesele, Bamphitlhi; Sitwane, Monametsi; Obopile, M; Ullah, Muhammad Irfan; Ali, Sajjad

    2017-10-03

    Botswana experiences low and unreliable rainfall. Thus, the use of effluent water in agriculture is increasingly important. Insect damage is the major constraint for cowpea grain production in the most cowpea-producing lands. We investigated the effects of effluent water on insect pest abundance on cowpea (Vigna unguiculata) under field conditions. The experiment was laid out in a randomized complete block design with 100, 75, 50, and 25% of effluent water and 0% (control-clean tap water) treatments. Treatments with 100% effluent water resulted in a significant increase in insect pest populations as compared with the control. These results show that the use of effluent water to irrigate crops may increase incidence, abundance, and damage caused by insect pests possibly by decreasing plant vigor. The use of effluent water in agriculture should be addressed in a wise way.

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

    NASA Astrophysics Data System (ADS)

    Limmer, David T.; Chandler, David

    2013-06-01

    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), 10.1063/1.3643333 and preprint 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.

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

    PubMed

    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 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.

  19. 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.

  20. 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. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. 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.

  2. Effect of hydrophobic environments on the hypothesized liquid-liquid critical point of water.

    PubMed

    Strekalova, Elena G; Corradini, Dario; Mazza, Marco G; Buldyrev, Sergey V; Gallo, Paola; Franzese, Giancarlo; Stanley, H Eugene

    2012-01-01

    The complex behavior of liquid water, along with its anomalies and their crucial role in the existence of life, continue to attract the attention of researchers. The anomalous behavior of water is more pronounced at subfreezing temperatures and numerous theoretical and experimental studies are directed towards developing a coherent thermodynamic and dynamic framework for understanding supercooled water. The existence of a liquid-liquid critical point in the deep supercooled region has been related to the anomalous behavior of water. However, the experimental study of supercooled water at very low temperatures is hampered by the homogeneous nucleation of the crystal. Recently, water confined in nanoscopic structures or in solutions has attracted interest because nucleation can be delayed. These systems have a tremendous relevance also for current biological advances; e.g., supercooled water is often confined in cell membranes and acts as a solvent for biological molecules. In particular, considerable attention has been recently devoted to understanding hydrophobic interactions or the behavior of water in the presence of apolar interfaces due to their fundamental role in self-assembly of micelles, membrane formation and protein folding. This article reviews and compares two very recent computational works aimed at elucidating the changes in the thermodynamic behavior in the supercooled region and the liquid-liquid critical point phenomenon for water in contact with hydrophobic environments. The results are also compared to previous reports for water in hydrophobic environments.

  3. Experimental evidence for a liquid-liquid crossover in deeply cooled confined water.

    PubMed

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

    2014-11-21

    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.

  4. Nonlinear Spectral Mixture Modeling to Estimate Water-Ice Abundance of Martian Regolith

    NASA Astrophysics Data System (ADS)

    Gyalay, Szilard; Chu, Kathryn; Zeev Noe Dobrea, Eldar

    2017-10-01

    We present a novel technique to estimate the abundance of water-ice in the Martian permafrost using Phoenix Surface Stereo Imager multispectral data. In previous work, Cull et al. (2010) estimated the abundance of water-ice in trenches dug by the Mars Phoenix lander by modeling the spectra of the icy regolith using the radiative transfer methods described in Hapke (2008) with optical constants for Mauna Kea palagonite (Clancy et al., 1995) as a substitute for unknown Martian regolith optical constants. Our technique, which uses the radiative transfer methods described in Shkuratov et al. (1999), seeks to eliminate the uncertainty that stems from not knowing the composition of the Martian regolith by using observations of the Martian soil before and after the water-ice has sublimated away. We use observations of the desiccated regolith sample to estimate its complex index of refraction from its spectrum. This removes any a priori assumptions of Martian regolith composition, limiting our free parameters to the estimated real index of refraction of the dry regolith at one specific wavelength, ice grain size, and regolith porosity. We can then model mixtures of regolith and water-ice, fitting to the original icy spectrum to estimate the ice abundance. To constrain the uncertainties in this technique, we performed laboratory measurements of the spectra of known mixtures of water-ice and dry soils as well as those of soils after desiccation with controlled viewing geometries. Finally, we applied the technique to Phoenix Surface Stereo Imager observations and estimated water-ice abundances consistent with pore-fill in the near-surface ice. This abundance is consistent with atmospheric diffusion, which has implications to our understanding of the history of water-ice on Mars and the role of the regolith at high latitudes as a reservoir of atmospheric H2O.

  5. Microscopic structural descriptor of liquid water

    NASA Astrophysics Data System (ADS)

    Shi, Rui; Tanaka, Hajime

    2018-03-01

    The microscopic structure of liquid water has been believed to be the key to the understanding of the unique properties of this extremely important substance. Many structural descriptors have been developed for revealing local structural order in water, but their properties are still not well understood. The essential difficulty comes from structural fluctuations due to thermal noise, which are intrinsic to the liquid state. The most popular and widely used descriptors are the local structure index (LSI) and d5. Recently, Russo and Tanaka [Nat. Commun. 3, 3556 (2014)] introduced a new descriptor ζ which measures the translational order between the first and second shells considering hydrogen bonding (H-bonding) in the first shell. In this work, we compare the performance of these three structural descriptors for a popular water model known as TIP5P water. We show that local structural ordering can be properly captured only by the structural descriptor ζ, but not by the other two descriptors particularly at a high temperature, where thermal noise effects are severe. The key difference of ζ from LSI and d5 is that only ζ considers H-bonding which is crucial to detect high translational and tetrahedral order of not only oxygen but also hydrogen atoms. The importance of H-bonding is very natural, considering the fact that the locally favored structures are stabilized by energy gain due to the formation of four hydrogen bonds between the central water molecule and its neighboring ones in the first shell. Our analysis of the water structure by using ζ strongly supports the two-state model of water: water is a dynamic mixture of locally favored (ordered) and normal-liquid (disordered) structures. This work demonstrates the importance of H-bonding in the characterization of water's structures and provides a useful structural descriptor for water-type tetrahedral liquids to study their structure and dynamics.

  6. 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.

  7. Liquid Water Restricts Habitability in Extreme Deserts

    NASA Astrophysics Data System (ADS)

    Cockell, Charles S.; Brown, Sarah; Landenmark, Hanna; Samuels, Toby; Siddall, Rebecca; Wadsworth, Jennifer

    2017-04-01

    Liquid water is a requirement for biochemistry, yet under some circumstances it is deleterious to life. Here, we show that liquid water reduces the upper temperature survival limit for two extremophilic photosynthetic microorganisms (Gloeocapsa and Chroococcidiopsis spp.) by greater than 40°C under hydrated conditions compared to desiccated conditions. Under hydrated conditions, thermal stress causes protein inactivation as shown by the fluorescein diacetate assay. The presence of water was also found to enhance the deleterious effects of freeze-thaw in Chroococcidiopsis sp. In the presence of water, short-wavelength UV radiation more effectively kills Gloeocapsa sp. colonies, which we hypothesize is caused by factors including the greater penetration of UV radiation into hydrated colonies compared to desiccated colonies. The data predict that deserts where maximum thermal stress or irradiation occurs in conjunction with the presence of liquid water may be less habitable to some organisms than more extreme arid deserts where organisms can dehydrate prior to being exposed to these extremes, thus minimizing thermal and radiation damage. Life in extreme deserts is poised between the deleterious effects of the presence and the lack of liquid water.

  8. Catalysts Based on Earth-Abundant Metals for Visible Light-Driven Water Oxidation Reaction.

    PubMed

    Lin, Junqi; Han, Qing; Ding, Yong

    2018-06-04

    Exploration of water oxidation catalyst (WOC) with excellent performance is the key for the overall water splitting reaction, which is a feasible strategy to convert solar energy to chemical energy. Although some compounds composed of noble metals, mainly Ru and Ir, have been reported to catalyze water oxidation with high efficiency, catalysts based on low-cost and earth-abundant transition metals are essential for realizing economical and large-scale light-driven water splitting. Various WOCs containing earth-abundant metals (mainly Mn, Fe, Co, Ni, Cu) have been utilized for visible light-driven water oxidation in recent years. In this Personal Account, we summarize our recent developments in WOCs based on earth-abundant transition metals including polyoxometalates (POMs), metal oxides or bimetal oxides, and metal complexes containing multidentate ligand scaffolds for visible light-driven water oxidation reaction. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    NASA Astrophysics Data System (ADS)

    Souda, Ryutaro

    2008-09-01

    Interactions of thin water films with surfaces of graphite and vitrified room-temperature ionic liquid [1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6])] 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 120K, thereby forming three-dimensional clusters (a two-dimensional layer) on the [bmim][PF6] (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 (140K). Results also showed that aging is necessary for the water monolayer (a 40 ML water film) to dewet the graphite ([bmim][PF6]) 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][PF6] 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.

  10. Adsorbed water and thin liquid films on Mars

    NASA Astrophysics Data System (ADS)

    Boxe, C. S.; Hand, K. P.; Nealson, K. H.; Yung, Y. L.; Yen, A. S.; Saiz-Lopez, A.

    2012-07-01

    At present, bulk liquid water on the surface and near-subsurface of Mars does not exist due to the scarcity of condensed- and gas-phase water, pressure and temperature constraints. Given that the nuclei of soil and ice, that is, the soil solid and ice lattice, respectively, are coated with adsorbed and/or thin liquid films of water well below 273 K and the availability of water limits biological activity, we quantify lower and upper limits for the thickness of such adsorbed/water films on the surface of the Martian regolith and for subsurface ice. These limits were calculated based on experimental and theoretical data for pure water ice and water ice containing impurities, where water ice containing impurities exhibit thin liquid film enhancements, ranging from 3 to 90. Close to the cold limit of water stability (i.e. 273 K), thin liquid film thicknesses at the surface of the Martian regolith is 0.06 nm (pure water ice) and ranges from 0.2 to 5 nm (water ice with impurities). An adsorbed water layer of 0.06 nm implies a dessicated surface as the thickness of one monolayer of water is 0.3 nm but represents 0.001-0.02% of the Martian atmospheric water vapour inventory. Taking into account the specific surface area (SSA) of surface-soil (i.e. top 1 mm of regolith and 0.06 nm adsorbed water layer), shows Martian surface-soil may contain interfacial water that represents 6-66% of the upper- and lower-limit atmospheric water vapour inventory and almost four times and 33%, the lower- and upper-limit Martian atmospheric water vapour inventory. Similarly, taking the SSA of Martian soil, the top 1 mm or regolith at 5 nm thin liquid water thickness, yields 1.10×1013 and 6.50×1013 litres of waters, respectively, 55-325 times larger than Mars' atmospheric water vapour inventory. Film thicknesses of 0.2 and 5 nm represent 2.3×104-1.5×106 litres of water, which is 6.0×10-7-4.0×10-4%, respectively, of a 10 pr μm water vapour column, and 3.0×10-6-4.0×10-4% and 6.0×10

  11. Water adsorption on a liquid surface.

    PubMed

    Lovelock, Kevin R J; Smith, Emily F; Deyko, Alexey; Villar-Garcia, Ignacio J; Licence, Peter; Jones, Robert G

    2007-12-14

    Monolayer adsorption of water onto an ionic liquid in ultra-high vacuum has been demonstrated, revealing a heat of adsorption which exceeds the heat of absorption into the bulk liquid by approximately 40 kJ mol(-1).

  12. Liquid Water Restricts Habitability in Extreme Deserts.

    PubMed

    Cockell, Charles S; Brown, Sarah; Landenmark, Hanna; Samuels, Toby; Siddall, Rebecca; Wadsworth, Jennifer

    2017-04-01

    Liquid water is a requirement for biochemistry, yet under some circumstances it is deleterious to life. Here, we show that liquid water reduces the upper temperature survival limit for two extremophilic photosynthetic microorganisms (Gloeocapsa and Chroococcidiopsis spp.) by greater than 40°C under hydrated conditions compared to desiccated conditions. Under hydrated conditions, thermal stress causes protein inactivation as shown by the fluorescein diacetate assay. The presence of water was also found to enhance the deleterious effects of freeze-thaw in Chroococcidiopsis sp. In the presence of water, short-wavelength UV radiation more effectively kills Gloeocapsa sp. colonies, which we hypothesize is caused by factors including the greater penetration of UV radiation into hydrated colonies compared to desiccated colonies. The data predict that deserts where maximum thermal stress or irradiation occurs in conjunction with the presence of liquid water may be less habitable to some organisms than more extreme arid deserts where organisms can dehydrate prior to being exposed to these extremes, thus minimizing thermal and radiation damage. Life in extreme deserts is poised between the deleterious effects of the presence and the lack of liquid water. Key Words: Deserts-Extremophiles-Stress-High temperatures-UV radiation-Desiccation. Astrobiology 17, 309-318.

  13. 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.

  14. 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

    2017-05-01

    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.

  15. Retrieval of water vapor column abundance and aerosol properties from ChemCam passive sky spectroscopy

    NASA Astrophysics Data System (ADS)

    McConnochie, Timothy H.; Smith, Michael D.; Wolff, Michael J.; Bender, Steve; Lemmon, Mark; Wiens, Roger C.; Maurice, Sylvestre; Gasnault, Olivier; Lasue, Jeremie; Meslin, Pierre-Yves; Harri, Ari-Matti; Genzer, Maria; Kemppinen, Osku; Martínez, Germán M.; DeFlores, Lauren; Blaney, Diana; Johnson, Jeffrey R.; Bell, James F.

    2018-06-01

    We derive water vapor column abundances and aerosol properties from Mars Science Laboratory (MSL) ChemCam passive mode observations of scattered sky light. This paper covers the methodology and initial results for water vapor and also provides preliminary results for aerosols. The data set presented here includes the results of 113 observations spanning from Mars Year 31 Ls = 291° (March 30, 2013) to Mars Year 33 Ls= 127° (March 24, 2016). Each ChemCam passive sky observation acquires spectra at two different elevation angles. We fit these spectra with a discrete-ordinates multiple scattering radiative transfer model, using the correlated-k approximation for gas absorption bands. The retrieval proceeds by first fitting the continuum of the ratio of the two elevation angles to solve for aerosol properties, and then fitting the continuum-removed ratio to solve for gas abundances. The final step of the retrieval makes use of the observed CO2 absorptions and the known CO2 abundance to correct the retrieved water vapor abundance for the effects of the vertical distribution of scattering aerosols and to derive an aerosol scale height parameter. Our water vapor results give water vapor column abundance with a precision of ±0.6 precipitable microns and systematic errors no larger than ±0.3 precipitable microns, assuming uniform vertical mixing. The ChemCam-retrieved water abundances show, with only a few exceptions, the same seasonal behavior and the same timing of seasonal minima and maxima as the TES, CRISM, and REMS-H data sets that we compare them to. However ChemCam-retrieved water abundances are generally lower than zonal and regional scale from-orbit water vapor data, while at the same time being significantly larger than pre-dawn REMS-H abundances. Pending further analysis of REMS-H volume mixing ratio uncertainties, the differences between ChemCam and REMS-H pre-dawn mixing ratios appear to be much too large to be explained by large scale circulations and thus

  16. Cyanobacteria abundance and its relationship to water quality in the Mid-Cross River floodplain, Nigeria.

    PubMed

    Okogwu, Okechukwu I; Ugwumba, Alex O

    2009-01-01

    The physicochemical variables and cyanobacteria of Mid-Cross River, Nigeria, were studied in six stations between March 2005 and August 2006 to determine the relationship between water quality and cyanobacteria abundance. Canonical Correspondence Analysis (CCA) showed that biological oxygen demand (BOD), dissolved oxygen, pH, water velocity, width and depth were important environmental factors that influenced cyanobacteria abundance. Trace metals, phosphate and nitrate increased significantly from values of previous studies indicating increased eutrophication of the river but were weakly correlated with cyanobacteria abundance and could be scarcely regarded as regulating factors. A higher cyanobacteria abundance was recorded during the wet season in most of the sampled stations. The dominant cyanobacteria included Microcystis aeruginosa, Aphanizomenon flos-aquae, Oscillatoria limnetica and Anabaena spiroides. The toxins produced by these species could degrade water quality. The factors favouring cyanobacteria abundance were identified as increased pH, width and depth. Increase in cyanobacteria abundance was associated with reduction in dissolved oxygen and increase in BOD values.

  17. Effectiveness of Liquid-Liquid Extraction, Solid Phase Extraction, and Headspace Technique for Determination of Some Volatile Water-Soluble Compounds of Rose Aromatic Water

    PubMed Central

    2017-01-01

    Steam distillation is used to isolate scent of rose flowers. Rose aromatic water is commonly used in European cuisine and aromatherapy besides its use in cosmetic industry for its lovely scent. In this study, three different sampling techniques, liquid-liquid extraction (LLE), headspace technique (HS), and solid phase extraction (SPE), were compared for the analysis of volatile water-soluble compounds in commercial rose aromatic water. Some volatile water-soluble compounds of rose aromatic water were also analyzed by gas chromatography mass spectrometry (GCMS). In any case, it was concluded that one of the solid phase extraction methods led to higher recoveries for 2-phenylethyl alcohol (PEA) in the rose aromatic water than the liquid-liquid extraction and headspace technique. Liquid-liquid extraction method provided higher recovery ratios for citronellol, nerol, and geraniol than others. Ideal linear correlation coefficient values were observed by GCMS for quantitative analysis of volatile compounds (r2 ≥ 0.999). Optimized methods showed acceptable repeatability (RSDs < 5%) and excellent recovery (>95%). For compounds such as α-pinene, linalool, β-caryophyllene, α-humulene, methyl eugenol, and eugenol, the best recovery values were obtained with LLE and SPE. PMID:28791049

  18. Comment on "Spontaneous liquid-liquid phase separation of water".

    PubMed

    Limmer, David T; Chandler, David

    2015-01-01

    Yagasaki et al. [Phys. Rev. E 89, 020301 (2014)] present results from a molecular dynamics trajectory illustrating coarsening of ice, which they interpret as evidence of transient coexistence between two distinct supercooled phases of liquid water. We point out that neither two distinct liquids nor criticality are demonstrated in this simulation study. Instead, the illustrated trajectory is consistent with coarsening behaviors analyzed and predicted in earlier work by others.

  19. 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.

  20. Constraining Water Vapor Abundance on Mars using a Coupled Heat-Water Transport Model and Seasonal Frost Observations

    NASA Astrophysics Data System (ADS)

    Bapst, J.; Byrne, S.

    2016-12-01

    The stability of water ice on Mars' surface is determined by its temperature and the density of water vapor at the bottom of the atmosphere. Multiple orbiting instruments have been used to study column-integrated water abundance in the martian atmosphere, resolving the global annual water cycle. However, poor knowledge of the vertical distribution of water makes constraining its abundance near the surface difficult. One must assume a mixing regime to produce surface vapor density estimates. More indirectly, one can use the appearance and disappearance of seasonal water frost, along with ice stability models, to estimate this value. Here, we use derived temperature and surface reflectance data from MGS TES to constrain a 1-D thermal diffusion model, which is coupled to an atmospheric water transport model. TES temperatures are used to constrain thermal properties of our modeled subsurface, while changes in TES albedo can be used to determine the timing of water frost. We tune the density of water vapor in the atmospheric model to match the observed seasonal water frost timing in the northern hemisphere, poleward of 45°N. Thus, we produce a new estimate for the water abundance in the lower atmosphere of Mars and how it varies seasonally and geographically. The timing of water frost can be ambiguous in TES data, especially at lower latitudes where the albedo contrast between frosted and unfrosted surfaces is lower (presumably due to lesser areal coverage of water frost). The uncertainty in frost timing with our approach is <20° LS ( 40 sols), and will be used to define upper and lower bounds in our estimate of vapor density. The implications of our derived vapor densities on the stability of surface and subsurface water ice will be discussed.

  1. 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.

  2. Electron affinity of liquid water

    DOE PAGES

    Gaiduk, Alex P.; Pham, Tuan Anh; Govoni, Marco; ...

    2018-01-16

    Understanding redox and photochemical reactions in aqueous environments requires a precise knowledge of the ionization potential and electron affinity of liquid water. The former has been measured, but not the latter. We predict the electron affinity of liquid water and of its surface from first principles, coupling path-integral molecular dynamics with ab initio potentials, and many-body perturbation theory. Our results for the surface (0.8 eV) agree well with recent pump-probe spectroscopy measurements on amorphous ice. Those for the bulk (0.1-0.3 eV) differ from several estimates adopted in the literature, which we critically revisit. We show that the ionization potential ofmore » the bulk and surface are almost identical; instead their electron affinities differ substantially, with the conduction band edge of the surface much deeper in energy than that of the bulk. We also discuss the significant impact of nuclear quantum effects on the fundamental gap and band edges of the liquid.« less

  3. Electron affinity of liquid water

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

    Gaiduk, Alex P.; Pham, Tuan Anh; Govoni, Marco

    Understanding redox and photochemical reactions in aqueous environments requires a precise knowledge of the ionization potential and electron affinity of liquid water. The former has been measured, but not the latter. We predict the electron affinity of liquid water and of its surface from first principles, coupling path-integral molecular dynamics with ab initio potentials, and many-body perturbation theory. Our results for the surface (0.8 eV) agree well with recent pump-probe spectroscopy measurements on amorphous ice. Those for the bulk (0.1-0.3 eV) differ from several estimates adopted in the literature, which we critically revisit. We show that the ionization potential ofmore » the bulk and surface are almost identical; instead their electron affinities differ substantially, with the conduction band edge of the surface much deeper in energy than that of the bulk. We also discuss the significant impact of nuclear quantum effects on the fundamental gap and band edges of the liquid.« less

  4. Origin and abundance of water in carbonaceous asteroids

    NASA Astrophysics Data System (ADS)

    Marrocchi, Yves; Bekaert, David V.; Piani, Laurette

    2018-01-01

    The origin and abundance of water accreted by carbonaceous asteroids remains underconstrained, but would provide important information on the dynamic of the protoplanetary disk. Here we report the in situ oxygen isotopic compositions of aqueously formed fayalite grains in the Kaba and Mokoia CV chondrites. CV chondrite bulk, matrix and fayalite O-isotopic compositions define the mass-independent continuous trend (δ17O = 0.84 ± 0.03 × δ18O - 4.25 ± 0.1), which shows that the main process controlling the O-isotopic composition of the CV chondrite parent body is related to isotopic exchange between 16O-rich anhydrous silicates and 17O- and 18O-rich fluid. Similar isotopic behaviors observed in CM, CR and CO chondrites demonstrate the ubiquitous nature of O-isotopic exchange as the main physical process in establishing the O-isotopic features of carbonaceous chondrites, regardless of their alteration degree. Based on these results, we developed a new approach to estimate the abundance of water accreted by carbonaceous chondrites (quantified by the water/rock ratio) with CM (0.3-0.4) ≥ CR (0.1-0.4) ≥ CV (0.1-0.2) > CO (0.01-0.10). The low water/rock ratios and the O-isotopic characteristics of secondary minerals in carbonaceous chondrites indicate they (i) formed in the main asteroid belt and (ii) accreted a locally derived (inner Solar System) water formed near the snowline by condensation from the gas phase. Such results imply low influx of D- and 17O- and 18O-rich water ice grains from the outer part of the Solar System. The latter is likely due to the presence of a Jupiter-induced gap in the protoplanetary disk that limited the inward drift of outer Solar System material at the exception of particles with size lower than 150 μm such as presolar grains. Among carbonaceous chondrites, CV chondrites show O-isotopic features suggesting potential contribution of 17-18O-rich water that may be related to their older accretion relative to other hydrated

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

    PubMed

    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.

  6. 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.

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

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

    Fadeeva, Tatiana A.; DeVine, Jessalyn A.; Castner, Edward W., E-mail: ed.castner@rutgers.edu

    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 analyzemore » 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.« less

  8. 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.

  9. Solid-liquid critical behavior of water in nanopores.

    PubMed

    Mochizuki, Kenji; Koga, Kenichiro

    2015-07-07

    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.

  10. Retrieval of water vapor column abundance and aerosol properties from ChemCam passive sky spectroscopy

    DOE PAGES

    McConnochie, Timothy H.; Smith, Michael D.; Wolff, Michael J.; ...

    2017-11-03

    In this work, we derive water vapor column abundances and aerosol properties from Mars Science Laboratory (MSL) ChemCam passive mode observations of scattered sky light. This paper covers the methodology and initial results for water vapor and also provides preliminary results for aerosols. The data set presented here includes the results of 113 observations spanning from Mars Year 31 L s = 291° (March 30, 2013) to Mars Year 33 L s= 127° (March 24, 2016). Each ChemCam passive sky observation acquires spectra at two different elevation angles. We fit these spectra with a discrete-ordinates multiple scattering radiative transfer model,more » using the correlated-k approximation for gas absorption bands. The retrieval proceeds by first fitting the continuum of the ratio of the two elevation angles to solve for aerosol properties, and then fitting the continuum-removed ratio to solve for gas abundances. The final step of the retrieval makes use of the observed CO 2 absorptions and the known CO 2 abundance to correct the retrieved water vapor abundance for the effects of the vertical distribution of scattering aerosols and to derive an aerosol scale height parameter. Our water vapor results give water vapor column abundance with a precision of ±0.6 precipitable microns and systematic errors no larger than ±0.3 precipitable microns, assuming uniform vertical mixing. The ChemCam-retrieved water abundances show, with only a few exceptions, the same seasonal behavior and the same timing of seasonal minima and maxima as the TES, CRISM, and REMS-H data sets that we compare them to. However ChemCam-retrieved water abundances are generally lower than zonal and regional scale from-orbit water vapor data, while at the same time being significantly larger than pre-dawn REMS-H abundances. Pending further analysis of REMS-H volume mixing ratio uncertainties, the differences between ChemCam and REMS-H pre-dawn mixing ratios appear to be much too large to be explained by large

  11. Retrieval of water vapor column abundance and aerosol properties from ChemCam passive sky spectroscopy

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

    McConnochie, Timothy H.; Smith, Michael D.; Wolff, Michael J.

    In this work, we derive water vapor column abundances and aerosol properties from Mars Science Laboratory (MSL) ChemCam passive mode observations of scattered sky light. This paper covers the methodology and initial results for water vapor and also provides preliminary results for aerosols. The data set presented here includes the results of 113 observations spanning from Mars Year 31 L s = 291° (March 30, 2013) to Mars Year 33 L s= 127° (March 24, 2016). Each ChemCam passive sky observation acquires spectra at two different elevation angles. We fit these spectra with a discrete-ordinates multiple scattering radiative transfer model,more » using the correlated-k approximation for gas absorption bands. The retrieval proceeds by first fitting the continuum of the ratio of the two elevation angles to solve for aerosol properties, and then fitting the continuum-removed ratio to solve for gas abundances. The final step of the retrieval makes use of the observed CO 2 absorptions and the known CO 2 abundance to correct the retrieved water vapor abundance for the effects of the vertical distribution of scattering aerosols and to derive an aerosol scale height parameter. Our water vapor results give water vapor column abundance with a precision of ±0.6 precipitable microns and systematic errors no larger than ±0.3 precipitable microns, assuming uniform vertical mixing. The ChemCam-retrieved water abundances show, with only a few exceptions, the same seasonal behavior and the same timing of seasonal minima and maxima as the TES, CRISM, and REMS-H data sets that we compare them to. However ChemCam-retrieved water abundances are generally lower than zonal and regional scale from-orbit water vapor data, while at the same time being significantly larger than pre-dawn REMS-H abundances. Pending further analysis of REMS-H volume mixing ratio uncertainties, the differences between ChemCam and REMS-H pre-dawn mixing ratios appear to be much too large to be explained by large

  12. Comment on "Spontaneous liquid-liquid phase separation of water"

    NASA Astrophysics Data System (ADS)

    Limmer, David T.; Chandler, David

    2015-01-01

    Yagasaki et al. [Phys. Rev. E 89, 020301 (2014), 10.1103/PhysRevE.89.020301] present results from a molecular dynamics trajectory illustrating coarsening of ice, which they interpret as evidence of transient coexistence between two distinct supercooled phases of liquid water. We point out that neither two distinct liquids nor criticality are demonstrated in this simulation study. Instead, the illustrated trajectory is consistent with coarsening behaviors analyzed and predicted in earlier work by others.

  13. 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. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Observation of broadband terahertz wave generation from liquid water

    NASA Astrophysics Data System (ADS)

    Jin, Qi; E, Yiwen; Williams, Kaia; Dai, Jianming; Zhang, X.-C.

    2017-08-01

    Bulk liquid water is a strong absorber in the terahertz (THz) frequency range, due to which liquid water has historically been sworn off as a source for THz radiation. Here, we experimentally demonstrate the generation of broadband THz waves from liquid water excited by femtosecond laser pulses. Our measurements reveal the critical dependence of the THz field upon the relative position between the water film and the focal point of the laser beam. The THz radiation from liquid water shows distinct characteristics when compared with the THz radiation from air plasmas with single color optical excitation. First, the THz field is maximized with the laser beam of longer pulse durations. In addition, the p-polarized component of the emitted THz waves will be influenced by the polarization of the optical excitation beam. It is also shown that the energy of the THz radiation is linearly dependent on the excitation pulse energy.

  15. 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

  16. Water guns affect abundance and behavior of bigheaded carp and native fish differently

    USGS Publications Warehouse

    Rivera, Jose; Glover, David C.; Kocovsky, Patrick; Garvey, James E.; Gaikowski, Mark; Jensen, Nathan R.; Adams, Ryan F.

    2018-01-01

    Water guns have shown the potential to repel nuisance aquatic organisms. This study examines the effects of exposure to a 1966.4 cm3 seismic water gun array (two guns) on the abundance and behavior of Bighead Carp Hypophthalmichthys nobilis, Silver Carp H. molitrix (collectively referred to as bigheaded carp) and native fishes (e.g., Smallmouth Buffalo Ictiobus bubalus). Water guns were deployed in a channel that connects the Illinois River to backwater quarry pits that contained a large transient population of bigheaded carp. To evaluate the effect of water guns, mobile side-looking split-beam hydroacoustic surveys were conducted before, during and between replicated water gun firing periods. Water guns did not affect abundance of bigheaded carp, but abundance of native fish detected during the firing treatment was 43 and 34% lower than the control and water guns off treatments, respectively. The proximity of bigheaded carp to the water gun array was similar between the water guns on and water guns off treatments. In contrast, the closest detected native fish were detected farther from the water guns during the water guns on treatment (mean ± SE, 32.38 ± 3.32 m) than during the water guns off treatment (15.04 ± 1.59 m). The water gun array had a greater impact on native fish species than on bigheaded carp. Caution should be taken to the extrapolation of these results to other fish species and to fish exposed to water guns in different environments (e.g., reduced shoreline interaction) or exposure to a larger array of water guns, or for use of water guns for purposes other than a barrier.

  17. Direct current dielectrophoretic manipulation of the ionic liquid droplets in water.

    PubMed

    Zhao, Kai; Li, Dongqing

    2018-07-13

    The ionic liquids (ILs) as the environmentally benign solvents show great potentials in microemulsion carrier systems and have been widely used in the biochemical and pharmaceutical fields. In the work, the ionic liquid-in-water microemulsions were fabricated by using two kinds of hydrophobic ionic liquid, 1-Butyl-3-methylimidazolium hexafluorophosphate [Bmim][PF 6 ] and 1-Hexyl-3-methylimidazolium hexafluorophosphate [Hmim][PF 6 ] with Tween 20. The ionic liquid droplets in water experience the dielectrophoretic (DEP) forces induced by applying electrical field via a nano-orifice and a micron orifice on the opposite channel walls of a microchannel. The dielectrophoretic behaviors of the ionic liquid-in-water emulsion droplets were investigated under direct current (DC) electric field. The positive and negative DEP behaviors of the ionic liquid-in-water droplets varying with the electrical conductivity of the suspending medium were investigated and two kinds of the ionic liquid droplets of similar sizes were separated by their different DEP behaviors. In addition, the separation of the ionic liquid-in-water droplets by size was conducted. This paper, for the first time to our knowledge, presents the DC-DEP manipulation of the ionic liquid-in-water emulsion droplets by size and by type. This method provides a platform to manipulate the ionic liquid droplets individually. Copyright © 2018 Elsevier B.V. All rights reserved.

  18. 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.

  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. 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.

  1. Supercooled and glassy water: Metastable liquid(s), amorphous solid(s), and a no-man's land

    NASA Astrophysics Data System (ADS)

    Handle, Philip H.; Loerting, Thomas; Sciortino, Francesco

    2017-12-01

    We review the recent research on supercooled and glassy water, focusing on the possible origins of its complex behavior. We stress the central role played by the strong directionality of the water-water interaction and by the competition between local energy, local entropy, and local density. In this context we discuss the phenomenon of polyamorphism (i.e., the existence of more than one disordered solid state), emphasizing both the role of the preparation protocols and the transformation between the different disordered ices. Finally, we present the ongoing debate on the possibility of linking polyamorphism with a liquid-liquid transition that could take place in the no-man's land, the temperature-pressure window in which homogeneous nucleation prevents the investigation of water in its metastable liquid form.

  2. 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.

  3. Water abstraction affects abundance, size-structure and growth of two threatened cyprinid fishes

    PubMed Central

    Merciai, Roberto; Molons-Sierra, Carlota; Sabater, Sergi; García-Berthou, Emili

    2017-01-01

    Hydrologic alteration is a major threat to freshwater biota, and particularly fish, in many river courses around the world. We analyzed and compared the effects of water abstraction on two threatened cyprinid fishes of contrasting ecology (the Mediterranean barbel Barbus meridionalis and the Catalan chub Squalius laietanus) in a Mediterranean stream. We compared abundance, size-structure, growth, and condition of both species across perennial and artificially intermittent reaches affected by water abstraction. Both species were less abundant, had scarce large individuals, and displayed slower growth rates (length-at-age) in intermittent reaches, showing clear detrimental effects of water diversion. Mixed-effect models of scale increments showed variation among individuals and among sites, years and age classes for both species. The larger-sized, water-column species (chub) disappeared or was rare in many intermittent reaches. The barbel present in intermittent reaches showed better somatic condition than in sites with permanent flow, perhaps due to reduced competition after rewetting or colonization by better fitted individuals. This benthic, rheophilic species seems more resilient to moderate water abstraction than chub. Many effects of water flow intermittency were only detected on fish life-history traits when accounting for natural, often non-linear, variation, along upstream-downstream gradients. Our results suggest that abundance was the strongest indicator of effects of water abstraction on fish populations, whereas condition was a more labile trait, rapidly recovering from anthropogenic disturbance. PMID:28414787

  4. 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.

  5. Isotope effects in liquid water by infrared spectroscopy. IV. No free OH groups in liquid water.

    PubMed

    Max, Jean-Joseph; Chapados, Camille

    2010-10-28

    The presence of free OH (OH not H-bonded) in bulk water is a key element for the determination of its molecular structure. The OH covalent bond infrared (IR) absorption is highly sensitive to the molecular environment. For this reason, IR spectroscopy is used for the determination of free OH. A workable definition of this is obtained with methanol (MeOH) in hexane where minute quantities of free OH are present. These absorb at 3654 cm(-1) (a 27 cm(-1) redshift from the gas position) with a full width at half height of 35 cm(-1). The IR spectrum of water between room temperature and 95 °C does not display such a band near 3650 cm(-1). This indicates that we do not see, in the IR spectra, the "free" OH group. From this we conclude that it is not present in liquid water at least down to the 1000 ppm level which is the limit of detectivity of our spectrometer. Other spectroscopic considerations of methanol and water in acetonitrile solutions indicate that weak H-bonds are also not present in liquid water.

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

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

    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

  7. Experimental Evidence of Low Density Liquid Water under Decompression

    NASA Astrophysics Data System (ADS)

    Shen, G.; Lin, C.; Sinogeikin, S. V.; Smith, J.

    2017-12-01

    Water is not only the most important substance for life, but also plays important roles in liquid science for its anomalous properties. It has been widely accepted that water's anomalies are not a result of simple thermal fluctuation, but are connected to the formation of various structural aggregates in the hydrogen bonding network. Among several proposed scenarios, one model of fluctuations between two different liquids has gradually gained traction. These two liquids are referred to as a low-density liquid (LDL) and a high-density liquid (HDL) with a coexistence line in the deeply supercooled regime at elevated pressure. The LDL-HDL transition ends with decreasing pressure at a liquid-liquid critical point (LLCP) with its Widom line extending to low pressures. Above the Widom line lies mostly HDL which is favored by entropy, while LDL, mostly lying below the Widom line, is favored by enthalpy in the tetrahedral hydrogen bonding network. The origin of water's anomalies can then be explained by the increase in structural fluctuations, as water is cooled down to deeply supercooled temperatures approaching the Widom line. Because both the LLCP and the LDL-HDL transition line lie in water's "no man's land" between the homogeneous nucleation temperature (TH, 232 K) and the crystallization temperature (TX, 150 K), the success of experiments exploring this region has been limited thus far. Using a rapid decompression technique integrated with in situ x-ray diffraction, we observe that a high-pressure ice phase transforms to a low-density noncrystalline (LDN) form upon rapid release of pressure at temperatures of 140-165K. The LDN subsequently crystallizes into ice-Ic through a diffusion-controlled process. The change in crystallization rate with temperature indicates that the LDN is a LDL with its tetrahedrally-coordinated network fully developed and clearly linked to low-density amorphous ices. The observation of the tetrahedral LDL supports the two-liquid model for

  8. Liquid-liquid transition in the ST2 model of water

    NASA Astrophysics Data System (ADS)

    Debenedetti, Pablo

    2013-03-01

    We present clear evidence of the existence of a metastable liquid-liquid phase transition in the ST2 model of water. Using four different techniques (the weighted histogram analysis method with single-particle moves, well-tempered metadynamics with single-particle moves, weighted histograms with parallel tempering and collective particle moves, and conventional molecular dynamics), we calculate the free energy surface over a range of thermodynamic conditions, we perform a finite size scaling analysis for the free energy barrier between the coexisting liquid phases, we demonstrate the attainment of diffusive behavior, and we perform stringent thermodynamic consistency checks. The results provide conclusive evidence of a first-order liquid-liquid transition. We also show that structural equilibration in the sluggish low-density phase is attained over the time scale of our simulations, and that crystallization times are significantly longer than structural equilibration, even under deeply supercooled conditions. We place our results in the context of the theory of metastability.

  9. A physically-based retrieval of cloud liquid water from SSM/I measurements

    NASA Technical Reports Server (NTRS)

    Greenwald, Thomas J.; Stephens, Graeme L.; Vonder Haar, Thomas H.

    1992-01-01

    A simple physical scheme is proposed for retrieving cloud liquid water over the ice-free global oceans from Special Sensor Microwave/Imager (SSM/I) observations. Details of the microwave retrieval scheme are discussed, and the microwave-derived liquid water amounts are compared with the ground radiometer and AVHRR-derived liquid water for stratocumulus clouds off the coast of California. Global distributions of the liquid water path derived by the method proposed here are presented.

  10. 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.

  11. 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).

  12. Identification of Clathrate Hydrates, Hexagonal Ice, Cubic Ice, and Liquid Water in Simulations: the CHILL+ Algorithm.

    PubMed

    Nguyen, Andrew H; Molinero, Valeria

    2015-07-23

    Clathrate hydrates and ice I are the most abundant crystals of water. The study of their nucleation, growth, and decomposition using molecular simulations requires an accurate and efficient algorithm that distinguishes water molecules that belong to each of these crystals and the liquid phase. Existing algorithms identify ice or clathrates, but not both. This poses a challenge for cases in which ice and hydrate coexist, such as in the synthesis of clathrates from ice and the formation of ice from clathrates during self-preservation of methane hydrates. Here we present an efficient algorithm for the identification of clathrate hydrates, hexagonal ice, cubic ice, and liquid water in molecular simulations. CHILL+ uses the number of staggered and eclipsed water-water bonds to identify water molecules in cubic ice, hexagonal ice, and clathrate hydrate. CHILL+ is an extension of CHILL (Moore et al. Phys. Chem. Chem. Phys. 2010, 12, 4124-4134), which identifies hexagonal and cubic ice but not clathrates. In addition to the identification of hydrates, CHILL+ significantly improves the detection of hexagonal ice up to its melting point. We validate the use of CHILL+ for the identification of stacking faults in ice and the nucleation and growth of clathrate hydrates. To our knowledge, this is the first algorithm that allows for the simultaneous identification of ice and clathrate hydrates, and it does so in a way that is competitive with respect to existing methods used to identify any of these crystals.

  13. Finding water scarcity amid abundance using human-natural system models.

    PubMed

    Jaeger, William K; Amos, Adell; Bigelow, Daniel P; Chang, Heejun; Conklin, David R; Haggerty, Roy; Langpap, Christian; Moore, Kathleen; Mote, Philip W; Nolin, Anne W; Plantinga, Andrew J; Schwartz, Cynthia L; Tullos, Desiree; Turner, David P

    2017-11-07

    Water scarcity afflicts societies worldwide. Anticipating water shortages is vital because of water's indispensable role in social-ecological systems. But the challenge is daunting due to heterogeneity, feedbacks, and water's spatial-temporal sequencing throughout such systems. Regional system models with sufficient detail can help address this challenge. In our study, a detailed coupled human-natural system model of one such region identifies how climate change and socioeconomic growth will alter the availability and use of water in coming decades. Results demonstrate how water scarcity varies greatly across small distances and brief time periods, even in basins where water may be relatively abundant overall. Some of these results were unexpected and may appear counterintuitive to some observers. Key determinants of water scarcity are found to be the cost of transporting and storing water, society's institutions that circumscribe human choices, and the opportunity cost of water when alternative uses compete. Published under the PNAS license.

  14. Application of liquid-liquid-liquid microextraction and high-performance liquid chromatography for the determination of alkylphenols and bisphenol-A in water.

    PubMed

    Lin, Che-Yi; Fuh, Ming-Ren; Huang, Shang-Da

    2011-02-01

    A method termed liquid-liquid-liquid microextraction (LLLME) was utilized to extract 4-t-butylphenol, 4-t-octylphenol, 4-n-nonylphenol, and bisphenol-A from water. The extracted target analytes were separated and quantified by high-performance liquid chromatography using a fluorescence detector. In LLLME, the donor phase (i.e. water sample) was made weakly acidic by adding monobasic potassium phosphate (KH(2) PO(4)); the organic phase adopted was 4-chlorotoluene; the acceptor phase (i.e. enriched extract) was 0.2 M tetraethylammonium hydroxide dissolved in ethylene glycol. This study solves a problem associated with the surface activity of long-chain alkylphenolate ions, permitting LLLME to extract long-chain alkylphenols. Experimental conditions such as acceptor phase composition, organic phase identity, acceptor phase volume, sample agitation, extraction time, and salt addition were optimized. The relative standard deviation (RSD, 2.0-5.8%), coefficient of determination (r(2) 0.9977-0.9999), and detection limit (0.017-0.0048 ng/mL) of the proposed method were achieved under the selected optimized conditions. The method was successfully applied to analyses of lake and tap water samples, and the relative recoveries of target analytes from the spiked lake and tap water samples were 92.8-106.3 and 93.6-105.6%, respectively. The results obtained with the proposed method confirm this microextraction technique to be reliable for the monitoring of alkylphenols and bisphenol-A in water samples. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Aerosol Liquid Water Driven by Anthropogenic inorganic salts: Playing a key role in the winter haze formation over North China Plain

    NASA Astrophysics Data System (ADS)

    Wu, Z.; Liu, Y.; Tan, T.; Wang, Y.; Shang, D.; Xiao, Y.; Li, M.; Zeng, L.; Hu, M.

    2017-12-01

    Aerosol liquid water influences ambient particulate matter mass concentrations and aerosol optical properties, and can serve as a reactor for multiphase reactions that perturb local photochemistry1. Our observations revealed that ambient relative humidity, inorganic fraction (sulfate, ammonium, nitrate), and PM2.5 mass concentration generally simultaneously elevated during haze episodes, resulting in the abundant anthropogenic aerosol water in the atmosphere of Beijing. The enrichment of aerosol liquid water may significantly affect the particle phase, which plays a key role in determining the reactive uptake, gas-particle partitioning, and heterogeneous chemical reactivity2. A newly-built three-arm impactor was used to detect the particle rebound fraction. The observations showed the increased RH and inorganic-rich particulate matter led to an increased aerosol liquid water content, and thus a liquid phase state during haze episode during wintertime. Here, we proposed that the transition to a liquid phase state marked the beginning of the haze episode and kicked off a positive feedback loop, wherein the liquid particles readily uptake pollutants that could react to form inorganics which could then uptake more water. The strict controlling strategy of sulfur emissions in China might lead to a decreased sulfate fraction and increased nitrate fraction in PM1. As a result, due to the lower deliquescence RH of nitrate, the feedback loop proposed could start at an even lower RH in the future. Reference1 Herrmann, H., T. Schaefer, A. Tilgner, S. A. Styler, C. Weller, M. Teich, and T. Otto (2015), Tropospheric Aqueous-Phase Chemistry: Kinetics, Mechanisms, and Its Coupling to a Changing Gas Phase, Chemical Reviews, 115(10), 4259-4334.2 M. Kuwata, S. T. Martin (2012), Phase of atmospheric secondary organic material affects its reactivity, Proceedings of the National Academy of Sciences of the United States of America, 109(43):17354-17359

  16. Influence of the hydrogen bond quantum nature in liquid water and heavy water on stimulated Raman scattering

    NASA Astrophysics Data System (ADS)

    Li, Fabing; Li, Zhanlong; Li, Shuo; Fang, Wenhui; Sun, Chenglin; Men, Zhiwei

    2018-06-01

    Stimulated Raman scattering (SRS) of liquid water and heavy water have been investigated using Nd:YAG laser. The SRS spectra of liquid heavy water indicate that ice-VII and ice-VIII structures are formed by shock-induced compression (SIC) in forward and backward directions, respectively. Simultaneously, the SRS spectra reveal of liquid water that only ice-VII structure is formed in the backward direction. The difference in ice structures formed by SIC in liquid water and heavy water could be attributed to the effect of the hydrogen bond quantum nature with H+. SRS spectra of 2 M NaOH water solution with ice-VII and ice-VIII structures have been successfully obtained in forward and backward, respectively, as OH- greatly reduce the quantum nature of hydrogen bonds by neutralizing H+ in water. The hydrogen bond quantum nature is important for understanding isotope calibration test structure and isotopic effect.

  17. What is Neptune's D/H ratio really telling us about its water abundance?

    NASA Astrophysics Data System (ADS)

    Ali-Dib, Mohamad; Lakhlani, Gunjan

    2018-05-01

    We investigate the deep-water abundance of Neptune using a simple two-component (core + envelope) toy model. The free parameters of the model are the total mass of heavy elements in the planet (Z), the mass fraction of Z in the envelope (fenv), and the D/H ratio of the accreted building blocks (D/Hbuild).We systematically search the allowed parameter space on a grid and constrain it using Neptune's bulk carbon abundance, D/H ratio, and interior structure models. Assuming solar C/O ratio and cometary D/H for the accreted building blocks are forming the planet, we can fit all of the constraints if less than ˜15 per cent of Z is in the envelope (f_{env}^{median} ˜ 7 per cent), and the rest is locked in a solid core. This model predicts a maximum bulk oxygen abundance in Neptune of 65× solar value. If we assume a C/O of 0.17, corresponding to clathrate-hydrates building blocks, we predict a maximum oxygen abundance of 200× solar value with a median value of ˜140. Thus, both cases lead to oxygen abundance significantly lower than the preferred value of Cavalié et al. (˜540× solar), inferred from model-dependent deep CO observations. Such high-water abundances are excluded by our simple but robust model. We attribute this discrepancy to our imperfect understanding of either the interior structure of Neptune or the chemistry of the primordial protosolar nebula.

  18. Pressure Dependence of the Liquid-Liquid Phase Transition of Nanopore Water Doped Slightly with Hydroxylamine, and a Phase Behavior Predicted for Pure Water

    NASA Astrophysics Data System (ADS)

    Nagoe, Atsushi; Iwaki, Shinji; Oguni, Masaharu; Tôzaki, Ken-ichi

    2014-09-01

    Phase transition behaviors of confined pure water and confined water doped with a small amount of hydroxylamine (HA) with a mole fraction of xHA = 0.03 were examined by high-pressure differential thermal analyses at 0.1, 50, 100, and 150 MPa; the average diameters of silica pores used were 2.0 and 2.5 nm. A liquid-liquid phase transition (LLPT) of the confined HA-doped water was clearly observed and its pressurization effect could be evaluated, unlike in the experiments on undoped water. It was found that pressurization causes the transition temperature (Ttrs) to linearly decrease, indicating that the low-temperature phase has a lower density than the high-temperature one. Transition enthalpy (ΔtrsH) decreased steeply with increasing pressure. Considering the linear decrease in Ttrs with increasing pressure, the steep decrease in ΔtrsH indicates that the LLPT effect of the HA-doped water attenuates with pressure. We present a new scenario of the phase behavior concerning the LLPT of pure water based on the analogy from the behavior of slightly HA-doped water, where a liquid-liquid critical point (LLCP) and a coexistence line are located in a negative-pressure regime but not in a positive-pressure one. It is reasonably understood that doping a small amount of HA into water results in negative chemical pressurization and causes the LLPT to occur even at ambient pressure.

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

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

    Shinnaka, Yoshiharu; Kawakita, Hideyo; Kobayashi, Hitomi

    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 othermore » 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).« less

  20. 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.

  1. Finding water scarcity amid abundance using human–natural system models

    PubMed Central

    Amos, Adell; Bigelow, Daniel P.; Chang, Heejun; Conklin, David R.; Haggerty, Roy; Langpap, Christian; Moore, Kathleen; Mote, Philip W.; Nolin, Anne W.; Plantinga, Andrew J.; Schwartz, Cynthia L.; Tullos, Desiree; Turner, David P.

    2017-01-01

    Water scarcity afflicts societies worldwide. Anticipating water shortages is vital because of water’s indispensable role in social-ecological systems. But the challenge is daunting due to heterogeneity, feedbacks, and water’s spatial-temporal sequencing throughout such systems. Regional system models with sufficient detail can help address this challenge. In our study, a detailed coupled human–natural system model of one such region identifies how climate change and socioeconomic growth will alter the availability and use of water in coming decades. Results demonstrate how water scarcity varies greatly across small distances and brief time periods, even in basins where water may be relatively abundant overall. Some of these results were unexpected and may appear counterintuitive to some observers. Key determinants of water scarcity are found to be the cost of transporting and storing water, society’s institutions that circumscribe human choices, and the opportunity cost of water when alternative uses compete. PMID:29078299

  2. 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.

  3. 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.

  4. Ab initio calculation of the electronic absorption spectrum of liquid water

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

    Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa, E-mail: ben@cii.fc.ul.pt

    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 inmore » 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.« less

  5. 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.

  6. 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.

  7. Exceptionally high abundances of microplastics in the oligotrophic Israeli Mediterranean coastal waters.

    PubMed

    van der Hal, Noam; Ariel, Asaf; Angel, Dror L

    2017-03-15

    Seasonal sea surface microplastic distribution was recorded at 17 sites along the Israeli Mediterranean coast. Microplastics (0.3-5mm) were found in all samples, with a mean abundance of 7.68±2.38particles/m 3 or 1,518,340particles/km 2 . Some areas had higher abundances of microplastics than others, although differences were neither consistent nor statistically significant. In some cases microplastic particles were found floating in large patches. One of these patches contained an extraordinary number of plastic particles; 324particles/m 3 or 64,812,600particles/km 2 . Microplastic abundances in Israeli coastal waters are disturbingly high; mean values were 1-2 orders of magnitude higher than abundances reported in other parts of the world. Light-colored (white or transparent) fragments were by far more abundant than all other microplastic colors and types. The results of this study underline the need for action to reduce the flux of plastics to the marine environment. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. Observed cloud reflectivities and liquid water paths: An update

    NASA Technical Reports Server (NTRS)

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

    1990-01-01

    The FIRE microwave radiometer observations of liquid water path from San Nicolas Island and simultaneous NOAA AVHRR observations of cloud reflectivity were used to test a relationship between cloud liquid water path and cloud reflectivity that is often used in general circulation climate models (Stephens, 1978). The results of attempts to improve the data analysis which was described at the previous FIRE Science Team Workshop and elsewhere (Coakley and Snider, 1989) are reported. The improvements included the analysis of additional satellite passes over San Nicolas and sensitivity studies to estimate the effects on the observed reflectivities due to: (1) nonzero surface reflectivities beneath the clouds; (2) the anisotropy of the reflected radiances observed by the AVHRR; (3) small scale spatial structure in the liquid water path; and (4) adjustments to the calibration of AVHRR.

  9. Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water

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

    Singh, Rakesh S.; Debenedetti, Pablo G.; Biddle, John W.

    Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a metastable liquid-liquid phase transition (LLPT) between two (high and low density) forms of water. While the anomalies are observed in experiments on bulk and confined water and by computer simulation studies of different water-like models, the existence of a LLPT in water is still debated. Unambiguous experimental proof of the existence of a LLPT in bulk supercooled water is hampered by fast ice nucleation which is a precursor of the hypothesized LLPT. Moreover,more » the hypothesized LLPT, being metastable, in principle cannot exist in the thermodynamic limit (infinite size, infinite time). Therefore, computer simulations of water models are crucial for exploring the possibility of the metastable LLPT and the nature of the anomalies. In this work, we present new simulation results in the NVT ensemble for one of the most accurate classical molecular models of water, TIP4P/2005. To describe the computed properties and explore the possibility of a LLPT, we have applied two-structure thermodynamics, viewing water as a non-ideal mixture of two interconvertible local structures (“states”). The results suggest the presence of a liquid-liquid critical point and are consistent with the existence of a LLPT in this model for the simulated length and time scales. We have compared the behavior of TIP4P/2005 with other popular water-like models, namely, mW and ST2, and with real water, all of which are well described by two-state thermodynamics. In view of the current debate involving different studies of TIP4P/2005, we discuss consequences of metastability and finite size in observing the liquid-liquid separation. We also address the relationship between the phenomenological order parameter of two-structure thermodynamics and the microscopic nature of the low-density structure.« less

  10. 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

  11. 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. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Boson peak in deeply cooled confined water: a possible way to explore the existence of the liquid-to-liquid transition in water.

    PubMed

    Wang, Zhe; Liu, Kao-Hsiang; Le, Peisi; Li, Mingda; Chiang, Wei-Shan; Leão, Juscelino B; Copley, John R D; Tyagi, Madhusudan; Podlesnyak, Andrey; Kolesnikov, Alexander I; Mou, Chung-Yuan; Chen, Sow-Hsin

    2014-06-13

    The boson peak in deeply cooled water confined in nanopores is studied with inelastic neutron scattering. We show that in the (P, T) plane, the locus of the emergence of the boson peak is nearly parallel to the Widom line below ∼ 1600 bar. Above 1600 bar, the situation is different and from this difference the end pressure of the Widom line is estimated. The frequency and width of the boson peak correlate with the density of water, which suggests a method to distinguish the hypothetical "low-density liquid" and "high-density liquid" phases in deeply cooled water.

  13. 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.

  14. In Situ Characterization of Boehmite Particles in Water Using Liquid SEM.

    PubMed

    Yao, Juan; Arey, Bruce W; Yang, Li; Zhang, Fei; Komorek, Rachel; Chun, Jaehun; Yu, Xiao-Ying

    2017-09-27

    In situ imaging and elemental analysis of boehmite (AlOOH) particles in water is realized using the System for Analysis at the Liquid Vacuum Interface (SALVI) and Scanning Electron Microscopy (SEM). This paper describes the method and key steps in integrating the vacuum compatible SAVLI to SEM and obtaining secondary electron (SE) images of particles in liquid in high vacuum. Energy dispersive x-ray spectroscopy (EDX) is used to obtain elemental analysis of particles in liquid and control samples including deionized (DI) water only and an empty channel as well. Synthesized boehmite (AlOOH) particles suspended in liquid are used as a model in the liquid SEM illustration. The results demonstrate that the particles can be imaged in the SE mode with good resolution (i.e., 400 nm). The AlOOH EDX spectrum shows significant signal from the aluminum (Al) when compared with the DI water and the empty channel control. In situ liquid SEM is a powerful technique to study particles in liquid with many exciting applications. This procedure aims to provide technical know-how in order to conduct liquid SEM imaging and EDX analysis using SALVI and to reduce potential pitfalls when using this approach.

  15. Ionic Liquid Dispersive Liquid-Liquid Microextraction Method for the Determination of Irinotecan, an Anticancer Drug, in Water and Urine Samples Using UV-Vis Spectrophotometry.

    PubMed

    Uysal, Deniz; Karadaş, Cennet; Kara, Derya

    2017-05-01

    A new, simple, efficient, and environmentally friendly ionic liquid dispersive liquid-liquid microextraction method was developed for the determination of irinotecan, an anticancer drug, in water and urine samples using UV-Vis spectrophotometry. The ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate was used as the extraction solvent, and ethanol was used as the disperser solvent. The main parameters affecting the extraction efficiency, including sample pH, volume of the ionic liquid, choice of the dispersive solvent and its volume, concentration of NaCl, and extraction and centrifugation times, were investigated and optimized. The effect of interfering species on the recovery of irinotecan was also examined. Under optimal conditions, the LOD (3σ) was 48.7 μg/L without any preconcentration. Because the urine sample was diluted 10-fold, the LOD for urine would be 487 μg/L. However, this could be improved 16-fold if preconcentration using a 40 mL aliquot of the sample is used. The proposed method was successfully applied to the determination of irinotecan in tap water, river water, and urine samples spiked with 10.20 mg/L for the water samples and 8.32 mg/L for the urine sample. The average recovery values of irinotecan determined were 99.1% for tap water, 109.4% for river water, and 96.1% for urine.

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

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

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

    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.

  17. Interplay of the Glass Transition and the Liquid-Liquid Phase Transition in Water

    NASA Astrophysics Data System (ADS)

    Giovambattista, Nicolas

    2013-03-01

    Most liquids can form a single glass or amorphous state when cooled sufficiently fast (in order to prevent crystallization). However, there are a few substances that are relevant to scientific and technological applications which can exist in at least two different amorphous states, a property known as polyamorphism. Examples include silicon, silica, and in particular, water. In the case of water, experiments show the existence of a low-density (LDA) and high-density (HDA) amorphous ice that are separated by a dramatic, first-order like phase transition. It has been argued that the LDA-HDA transformation evolves into a first-order liquid-liquid phase transition (LLPT) at temperatures above the glass transition temperature Tg. However, obtaining direct experimental evidence of the LLPT has been challenging since the LLPT occurs at conditions where water rapidly crystallizes. In this talk, I will (i) discuss the general phenomenology of polyamorphism in water and its implications, and (ii) explore the effects of a LLPT on the pressure dependence of Tg(P) for LDA and HDA. Our study is based on computer simulations of two water models - one with a LLPT (ST2 model), and one without (SPC/E model). In the absence of a LLPT, Tg(P) for all glasses nearly coincide. Instead, when there is a LLPT, different glasses exhibit dramatically different Tg(P) loci which are directly linked with the LLPT. Available experimental data for Tg(P) are only consistent with the scenario that includes a LLPT (ST2 model) and hence, our results support the view that a LLPT may exist for the case of water.

  18. 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.

  19. 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.

  20. Space-Confined Earth-Abundant Bifunctional Electrocatalyst for High-Efficiency Water Splitting.

    PubMed

    Tang, Yanqun; Fang, Xiaoyu; Zhang, Xin; Fernandes, Gina; Yan, Yong; Yan, Dongpeng; Xiang, Xu; He, Jing

    2017-10-25

    Hydrogen generation from water splitting could be an alternative way to meet increasing energy demands while also balancing the impact of energy being supplied by fossil-based fuels. The efficacy of water splitting strongly depends on the performance of electrocatalysts. Herein, we report a unique space-confined earth-abundant electrocatalyst having the bifunctionality of simultaneous hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), leading to high-efficiency water splitting. Outperforming Pt/C or RuO 2 catalysts, this mesoscopic, space-confined, bifunctional configuration is constructed from a monolithic zeolitic imidazolate framework@layered double hydroxide (ZIF@LDH) precursor on Ni foam. Such a confinement leads to a high dispersion of ultrafine Co 3 O 4 nanoparticles within the N-doped carbon matrix by temperature-dependent calcination of the ZIF@LDH. We demonstrate that the OER has an overpotential of 318 mV at a current density of 10 mA cm -2 , while that of HER is -106 mV @ -10 mA cm -2 . The voltage applied to a two-electrode cell for overall water splitting is 1.59 V to achieve a stable current density of 10 mA cm -2 while using the monolithic catalyst as both the anode and the cathode. It is anticipated that our space-confined method, which focuses on earth-abundant elements with structural integrity, may provide a novel and economically sound strategy for practical energy conversion applications.

  1. 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.

  2. Liquid chromatography with isotope-dilution mass spectrometry for determination of water-soluble vitamins in foods.

    PubMed

    Phillips, Melissa M

    2015-04-01

    Vitamins are essential for improving and maintaining human health, and the main source of vitamins is the diet. Measurement of the quantities of water-soluble vitamins in common food materials is important to understand the impact of vitamin intake on human health, and also to provide necessary information for regulators to determine adequate intakes. Liquid chromatography (LC) and mass spectrometry (MS) based methods for water-soluble vitamin analysis are abundant in the literature, but most focus on only fortified foods or dietary supplements or allow determination of only a single vitamin. In this work, a method based on LC/MS and LC/MS/MS has been developed to allow simultaneous quantitation of eight water-soluble vitamins, including multiple forms of vitamins B3 and B6, in a variety of fortified and unfortified food-matrix Standard Reference Materials (SRMs). Optimization of extraction of unbound vitamin forms and confirmation using data from external laboratories ensured accuracy in the assigned values, and addition of stable isotope labeled internal standards for each of the vitamins allowed for increased precision.

  3. 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.

  4. 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%. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Liquid-liquid equilibria for water + ethanol + 2-methylpropyl ethanoate and water + ethanol + 1,2-dibromoethane at 298. 15 K

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

    Solimo, H.N.; Barnes de Arreguez, N.G.

    1994-01-01

    Liquid-liquid equilibrium, distribution coefficients, and selectivities of the systems water + ethanol + 2-methylpropyl ethanoate or + 1,2-dibromoethane have been determined at 298.15 K in order to evaluate their suitability in preferentially extracting ethanol from aqueous solution. Tie-line data were satisfactorily correlated by the Othmer and Tobias method, and the plait point coordinates for the two systems were estimated. The experimental data was compared with the values calculated by the NRTL and UNIQUAC models. The water + ethanol + 2-methylpropyl ethanoate system was also compared with the values predicted by the UNIFAC model. Poor qualitative agreement was obtained with thesemore » models. From the experimental results, they can conclude that both solvents are inappropriate for ethanol extraction processes from aqueous solutions.« less

  6. A broadband helical saline water liquid antenna for wearable systems

    NASA Astrophysics Data System (ADS)

    Li, Gaosheng; Huang, Yi; Gao, Gui; Yang, Cheng; Lu, Zhonghao; Liu, Wei

    2018-04-01

    A broadband helical liquid antenna made of saline water is proposed. A transparent hollow support is employed to fabricate the antenna. The rotation structure is fabricated with a thin flexible tube. The saline water with a concentration of 3.5% can be injected into or be extracted out from the tube to change the quantity of the solution. Thus, the tunability of the radiation pattern could be realised by applying the fluidity of the liquid. The radiation feature of the liquid antenna is compared with that of a metal one, and fairly good agreement has been achieved. Furthermore, three statements of the radiation performance corresponding to the ratio of the diameter to the wavelength of the helical saline water antenna have been proposed. It has been found that the resonance frequency increases when the length of the feeding probe or the radius of the vertical part of the liquid decreases. The fractional bandwidth can reach over 20% with a total height of 185 mm at 1.80 GHz. The measured results indicate reasonable approximation to the simulated. The characteristics of the liquid antenna make it a good candidate for various wireless applications, especially the wearable systems.

  7. Seasonal variation in composition and abundance of harmful dinoflagellates in Yemeni waters, southern Red Sea.

    PubMed

    Alkawri, Abdulsalam

    2016-11-15

    General abundance and species composition of a dinoflagellate community in Yemeni coastal waters of Al Salif (southern Red Sea) were studied with a view to understand the annual variations in particular the toxic species. Dinoflagellates were more abundant among phytoplankton. Thirty five dinoflagellate taxa were identified, among which 12 were reported as potentially toxic species. A significant change in seasonal abundance was recorded with the maximum (2.27∗10 6 cellsl -1 ) in May, and the minimum (2.50∗10 2 cellsl -1 ) recorded in January. Kryptoperidinium foliaceum, which was reported for the first time from the Red Sea, was the most abundant species with a maximum in May 2013 (2.26∗10 6 cellsl -1 ). Spearman's rank correlation analysis indicates that, total harmful dinoflagellate cells, K. foliaceum, Prorocentrum gracile and Prorocentrum micans were significantly correlated with temperature. This study suggests that Yemeni waters should be monitored to investigate harmful species and to identify areas and seasons at higher risk. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. 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.

  9. 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.

  10. Experimental evidence of low-density liquid water upon rapid decompression

    PubMed Central

    Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.; Shen, Guoyin

    2018-01-01

    Water is an extraordinary liquid, having a number of anomalous properties which become strongly enhanced in the supercooled region. Due to rapid crystallization of supercooled water, there exists a region that has been experimentally inaccessible for studying deeply supercooled bulk water. Using a rapid decompression technique integrated with in situ X-ray diffraction, we show that a high-pressure ice phase transforms to a low-density noncrystalline (LDN) form upon rapid release of pressure at temperatures of 140–165 K. The LDN subsequently crystallizes into ice-Ic through a diffusion-controlled process. Together with the change in crystallization rate with temperature, the experimental evidence indicates that the LDN is a low-density liquid (LDL). The measured X-ray diffraction data show that the LDL is tetrahedrally coordinated with the tetrahedral network fully developed and clearly linked to low-density amorphous ices. On the other hand, there is a distinct difference in structure between the LDL and supercooled water or liquid water in terms of the tetrahedral order parameter. PMID:29440411

  11. Water-mediated ion–ion interactions are enhanced at the water vapor–liquid interface

    PubMed Central

    Venkateshwaran, Vasudevan; Vembanur, Srivathsan; Garde, Shekhar

    2014-01-01

    There is overwhelming evidence that ions are present near the vapor–liquid interface of aqueous salt solutions. Charged groups can also be driven to interfaces by attaching them to hydrophobic moieties. Despite their importance in many self-assembly phenomena, how ion–ion interactions are affected by interfaces is not understood. We use molecular simulations to show that the effective forces between small ions change character dramatically near the water vapor–liquid interface. Specifically, the water-mediated attraction between oppositely charged ions is enhanced relative to that in bulk water. Further, the repulsion between like-charged ions is weaker than that expected from a continuum dielectric description and can even become attractive as the ions are drawn to the vapor side. We show that thermodynamics of ion association are governed by a delicate balance of ion hydration, interfacial tension, and restriction of capillary fluctuations at the interface, leading to nonintuitive phenomena, such as water-mediated like charge attraction. “Sticky” electrostatic interactions may have important consequences on biomolecular structure, assembly, and aggregation at soft liquid interfaces. We demonstrate this by studying an interfacially active model peptide that changes its structure from α-helical to a hairpin-turn–like one in response to charging of its ends. PMID:24889634

  12. Water-mediated ion-ion interactions are enhanced at the water vapor-liquid interface.

    PubMed

    Venkateshwaran, Vasudevan; Vembanur, Srivathsan; Garde, Shekhar

    2014-06-17

    There is overwhelming evidence that ions are present near the vapor-liquid interface of aqueous salt solutions. Charged groups can also be driven to interfaces by attaching them to hydrophobic moieties. Despite their importance in many self-assembly phenomena, how ion-ion interactions are affected by interfaces is not understood. We use molecular simulations to show that the effective forces between small ions change character dramatically near the water vapor-liquid interface. Specifically, the water-mediated attraction between oppositely charged ions is enhanced relative to that in bulk water. Further, the repulsion between like-charged ions is weaker than that expected from a continuum dielectric description and can even become attractive as the ions are drawn to the vapor side. We show that thermodynamics of ion association are governed by a delicate balance of ion hydration, interfacial tension, and restriction of capillary fluctuations at the interface, leading to nonintuitive phenomena, such as water-mediated like charge attraction. "Sticky" electrostatic interactions may have important consequences on biomolecular structure, assembly, and aggregation at soft liquid interfaces. We demonstrate this by studying an interfacially active model peptide that changes its structure from α-helical to a hairpin-turn-like one in response to charging of its ends.

  13. 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. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Triplet correlation functions in liquid water

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

    Dhabal, Debdas; Chakravarty, Charusita, E-mail: charus@chemistry.iitd.ac.in; Singh, Murari

    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.more » 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.« less

  15. Interplay of the Glass Transition and the Liquid-Liquid Phase Transition in Water

    PubMed Central

    Giovambattista, Nicolas; Loerting, Thomas; Lukanov, Boris R.; Starr, Francis W.

    2012-01-01

    Water has multiple glassy states, often called amorphous ices. Low-density (LDA) and high-density (HDA) amorphous ice are separated by a dramatic, first-order like phase transition. It has been argued that the LDA-HDA transformation connects to a first-order liquid-liquid phase transition (LLPT) above the glass transition temperature Tg. Direct experimental evidence of the LLPT is challenging to obtain, since the LLPT occurs at conditions where water rapidly crystallizes. In this work, we explore the implications of a LLPT on the pressure dependence of Tg(P) for LDA and HDA by performing computer simulations of two water models – one with a LLPT, and one without. In the absence of a LLPT, Tg(P) for all glasses nearly coincide. When there is a LLPT, different glasses exhibit dramatically different Tg(P) which are directly linked with the LLPT. Available experimental data for Tg(P) are only consistent with the scenario including a LLPT. PMID:22550566

  16. Interplay of the Glass Transition and the Liquid-Liquid Phase Transition in Water

    NASA Astrophysics Data System (ADS)

    Giovambattista, Nicolas; Loerting, Thomas; Lukanov, Boris R.; Starr, Francis W.

    2012-05-01

    Water has multiple glassy states, often called amorphous ices. Low-density (LDA) and high-density (HDA) amorphous ice are separated by a dramatic, first-order like phase transition. It has been argued that the LDA-HDA transformation connects to a first-order liquid-liquid phase transition (LLPT) above the glass transition temperature Tg. Direct experimental evidence of the LLPT is challenging to obtain, since the LLPT occurs at conditions where water rapidly crystallizes. In this work, we explore the implications of a LLPT on the pressure dependence of Tg(P) for LDA and HDA by performing computer simulations of two water models - one with a LLPT, and one without. In the absence of a LLPT, Tg(P) for all glasses nearly coincide. When there is a LLPT, different glasses exhibit dramatically different Tg(P) which are directly linked with the LLPT. Available experimental data for Tg(P) are only consistent with the scenario including a LLPT.

  17. Distribution of aquifers, liquid-waste impoundments, and municipal water-supply sources, Massachusetts

    USGS Publications Warehouse

    Delaney, David F.; Maevsky, Anthony

    1980-01-01

    Impoundments of liquid waste are potential sources of ground-water contamination in Massachusetts. The map report, at a scale of 1 inch equals 4 miles, shows the idstribution of aquifers and the locations of municipal water-supply sources and known liquid-waste impoundments. Ground water, an important source of municipal water supply, is produced from shallow sand and gravel aquifers that are generally unconfined, less than 200 feet thick, and yield less than 2,000 gallons per minute to individual wells. These aquifers commonly occupy lowlands and stream valleys and are most extensive in eastern Massachusetts. Surface impoundments of liquid waste are commonly located over these aquifers. These impoundments may leak and allow waste to infiltrate underlying aquifers and alter their water quality. (USGS)

  18. 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

  19. 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.

  20. Water in Inhomogeneous Nanoconfinement: Coexistence of Multilayered Liquid and Transition to Ice Nanoribbons.

    PubMed

    Qiu, Hu; Zeng, Xiao Cheng; Guo, Wanlin

    2015-10-27

    Phase behavior and the associated phase transition of water within inhomogeneous nanoconfinement are investigated using molecular dynamics simulations. The nanoconfinement is constructed by a flat bottom plate and a convex top plate. At 300 K, the confined water can be viewed as a coexistence of monolayer, bilayer, and trilayer liquid domains to accommodate the inhomogeneous confinement. With increasing liquid density, the confined water with uneven layers transforms separately into two-dimensional ice crystals with unchanged layer number and rhombic in-plane symmetry for oxygen atoms. The monolayer water undergoes the transition first into a puckered ice nanoribbon, and the bilayer water transforms into a rhombic ice nanoribbon next, followed by the transition of trilayer water into a trilayer ice nanoribbon. The sequential localized liquid-to-solid transition within the inhomogeneous confinement can also be achieved by gradually decreasing the temperature at low liquid densities. These findings of phase behaviors of water under the inhomogeneous nanoconfinement not only extend the phase diagram of confined water but also have implications for realistic nanofluidic systems and microporous materials.

  1. Magnetic properties and core electron binding energies of liquid water

    NASA Astrophysics Data System (ADS)

    Galamba, N.; Cabral, Benedito J. C.

    2018-01-01

    The magnetic properties and the core and inner valence electron binding energies of liquid water are investigated. The adopted methodology relies on the combination of molecular dynamics and electronic structure calculations. Born-Oppenheimer molecular dynamics with the Becke and Lee-Yang-Parr functionals for exchange and correlation, respectively, and includes an empirical correction (BLYP-D3) functional and classical molecular dynamics with the TIP4P/2005-F model were carried out. The Keal-Tozer functional was applied for predicting magnetic shielding and spin-spin coupling constants. Core and inner valence electron binding energies in liquid water were calculated with symmetry adapted cluster-configuration interaction. The relationship between the magnetic shielding constant σ(17O), the role played by the oxygen atom as a proton acceptor and donor, and the tetrahedral organisation of liquid water are investigated. The results indicate that the deshielding of the oxygen atom in water is very dependent on the order parameter (q) describing the tetrahedral organisation of the hydrogen bond network. The strong sensitivity of magnetic properties on changes of the electronic density in the nuclei environment is illustrated by a correlation between σ(17O) and the energy gap between the 1a1[O1s] (core) and the 2a1 (inner valence) orbitals of water. Although several studies discussed the eventual connection between magnetic properties and core electron binding energies, such a correlation could not be clearly established. Here, we demonstrate that for liquid water this correlation exists although involving the gap between electron binding energies of core and inner valence orbitals.

  2. A 'first principles' potential energy surface for liquid water from VRT spectroscopy of water clusters.

    PubMed

    Goldman, Nir; Leforestier, Claude; Saykally, R J

    2005-02-15

    We present results of gas phase cluster and liquid water simulations from the recently determined VRT(ASP-W)III water dimer potential energy surface (the third fitting of the Anisotropic Site Potential with Woermer dispersion to vibration-rotation-tunnelling data). 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 with those from ab initio molecular dynamics, other potentials of 'spectroscopic' accuracy and with experiment. The results herein represent the first time to the authors' knowledge that a 'spectroscopic' potential surface is able to correctly model condensed phase properties of water.

  3. Simultaneous Determination of 13 Priority Polycyclic Aromatic Hydrocarbons in Tehran’s Tap Water and Water for Injection Samples Using Dispersive Liquid-Liquid Micro Extraction Method and Gas Chromatography-Mass Spectrometry

    PubMed Central

    Sadeghi, Ramezan; Kobarfard, Farzad; Yazdanpanah, Hassan; Eslamizad, Samira; Bayate, Mitra

    2016-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are classified as persistent and carcinogenic organic pollutants. PAHs contamination has been reported in water. Many of relevant regulatory bodies such as EU and EPA have regulated the limit levels for PAHs in drinking water. In this study, 13 priority polycyclic aromatic hydrocarbons (PAHs) were determined in tap water samples of Tehran and water for injection. Dispersive liquid-liquid microextraction procedure combined with gas chromatography-mass spectrometry was used for the extraction and determination of PAHs in the samples. Under the optimized conditions, the range of extraction recoveries and relative standard deviations (RSDs) of PAHs in water using internal standard (anthracene-d10) were in the range of 71-90% and 4-16%, respectively. Limit of detection for different PAHs were between 0.03 and 0.1 ngmL-1. The concentration of PAHs in all tap water as well as water for injection samples were lower than the limit of quantification of PAHs. This is the first study addressing the occurrence of PAHs in water for injection samples in Iran using dispersive liquid-liquid micro extraction procedure combined with gas chromatography-mass spectrometry. PMID:27642318

  4. Real-time direct measurement of liquid (water) evaporation by simple disturbance inhibited interfometry technique

    NASA Astrophysics Data System (ADS)

    Kim, Yong Gi

    2017-11-01

    A real-time in-situ interferometry method was proposed to measure water (liquid) evaporation directly over the liquid surface inside the reservoir. The direct evaporation measurement relied on the counting the number of sinusoidal fringes. As the water inside reservoir evaporated, the depth of the water decreases a little thus the optical path length changes. Evaporation signals have been determined as a function of the focusing beam position of the signal beam over the liquid surface. In interferometry technique, the most limiting factors are surface disturbances and vibrations over the liquid surface. This limiting factor was simply inhibited by placing a long cylindrical aluminum tube around the signal beam of the interferometer over the liquid surface. A small diameter cylindrical Al tube diminished vibrations and wind induced surface ripples more effectively than that of the larger one. Water evaporation was successfully measured in real-time with a warm water and cold water even under windy condition with an electric fan. The experimental results demonstrated that the interferometry technique allows determining of liquid evaporation in real-time. Interferometric technique opens up a new possibility of methodology for liquid evaporation measurement even in several environmental disturbances, such as, vibration, surface disturbance, temperature change and windy environments.

  5. Combination of solvent extractants for dispersive liquid-liquid microextraction of fungicides from water and fruit samples by liquid chromatography with tandem mass spectrometry.

    PubMed

    Pastor-Belda, Marta; Garrido, Isabel; Campillo, Natalia; Viñas, Pilar; Hellín, Pilar; Flores, Pilar; Fenoll, José

    2017-10-15

    A multiresidue method was developed to determine twenty-five fungicides belonging to three different chemical families, oxazoles, strobilurins and triazoles, in water and fruit samples, using dispersive liquid-liquid microextraction (DLLME) and liquid chromatography/tandem mass spectrometry (LC-MS 2 ). Solid-liquid extraction with acetonitrile was used for the analysis in fruits, the extract being used as dispersant solvent in DLLME. Since some of the analytes showed high affinity for chloroform and the others were more efficiently extracted with undecanol, a mixture of both solvents was used as extractant in DLLME. After evaporation of CHCl 3 , the enriched phase was analyzed. Enrichment factors in the 23-119 and 12-60 ranges were obtained for waters and fruits, respectively. The approach was most sensitive for metominostrobin with limits of quantification of 1ngL -1 and 5ngkg -1 in waters and fruits, respectively, while a similar sensitivity was attained for tebuconazole in fruits. Recoveries of the fungicides varied between 86 and 116%. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. Transfer of Materials from Water to Solid Surfaces Using Liquid Marbles.

    PubMed

    Kawashima, Hisato; Paven, Maxime; Mayama, Hiroyuki; Butt, Hans-Jürgen; Nakamura, Yoshinobu; Fujii, Syuji

    2017-09-27

    Remotely controlling the movement of small objects is desirable, especially for the transportation and selection of materials. Transfer of objects between liquid and solid surfaces and triggering their release would allow for development of novel material transportation technology. Here, we describe the remote transport of a material from a water film surface to a solid surface using quasispherical liquid marbles (LMs). A light-induced Marangoni flow or an air stream is used to propel the LMs on water. As the LMs approach the rim of the water film, gravity forces them to slide down the water rim and roll onto the solid surface. Through this method, LMs can be efficiently moved on water and placed on a solid surface. The materials encapsulated within LMs can be released at a specific time by an external stimulus. We analyzed the velocity, acceleration, and force of the LMs on the liquid and solid surfaces. On water, the sliding friction due to the drag force resists the movement of the LMs. On a solid surface, the rolling distance is affected by the surface roughness of the LMs.

  11. Interfacial Effects on the Band Edges of Functionalized Si Surfaces in Liquid Water

    DOE PAGES

    Pham, Tuan Anh; Lee, Donghwa; Schwegler, Eric; ...

    2014-11-17

    By combining ab initio molecular dynamics simulations and many-body perturbation theory calculations of electronic energy levels, we determined the band edge positions of functionalized Si(111) surfaces in the presence of liquid water, with respect to vacuum and to water redox potentials. We considered surface terminations commonly used for Si photoelectrodes in water splitting experiments. We found that, when exposed to water, the semiconductor band edges were shifted by approximately 0.5 eV in the case of hydrophobic surfaces, irrespective of the termination. The effect of the liquid on band edge positions of hydrophilic surfaces was much more significant and determined bymore » a complex combination of structural and electronic effects. These include structural rearrangements of the semiconductor surfaces in the presence of water, changes in the orientation of interfacial water molecules with respect to the bulk liquid, and charge transfer at the interfaces, between the solid and the liquid. Our results showed that the use of many-body perturbation theory is key to obtain results in agreement with experiments; they also showed that the use of simple computational schemes that neglect the detailed microscopic structure of the solid–liquid interface may lead to substantial errors in predicting the alignment between the solid band edges and water redox potentials.« less

  12. 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.

  13. The interfacial structure of water droplets in a hydrophobic liquid

    NASA Astrophysics Data System (ADS)

    Smolentsev, Nikolay; Smit, Wilbert J.; Bakker, Huib J.; Roke, Sylvie

    2017-05-01

    Nanoscopic and microscopic water droplets and ice crystals embedded in liquid hydrophobic surroundings are key components of aerosols, rocks, oil fields and the human body. The chemical properties of such droplets critically depend on the interfacial structure of the water droplet. Here we report the surface structure of 200 nm-sized water droplets in mixtures of hydrophobic oils and surfactants as obtained from vibrational sum frequency scattering measurements. The interface of a water droplet shows significantly stronger hydrogen bonds than the air/water or hexane/water interface and previously reported planar liquid hydrophobic/water interfaces at room temperature. The observed spectral difference is similar to that of a planar air/water surface at a temperature that is ~50 K lower. Supercooling the droplets to 263 K does not change the surface structure. Below the homogeneous ice nucleation temperature, a single vibrational mode is present with a similar mean hydrogen-bond strength as for a planar ice/air interface.

  14. Mutual solubility of water and structural/positional isomers of N-alkylpyridinium-based ionic liquids.

    PubMed

    Freire, Mara G; Neves, Catarina M S S; Shimizu, Karina; Bernardes, Carlos E S; Marrucho, Isabel M; Coutinho, João A P; Canongia Lopes, José N; Rebelo, Luís Paulo N

    2010-12-09

    Despite many previous important contributions to the characterization of the liquid-liquid phase behavior of ionic liquids (ILs) plus water systems, a gap still exists as far as the effect of isomers (of ILs) is concerned. Therefore, in this work, a comprehensive study of the liquid-liquid equilibria between water and isomeric pyridinium-based ionic liquids has been performed. Atmospheric pressure mutual solubilities between water and pyridinium-based ionic liquids combined with the common anion bis[(trifluoromethyl)sulfonyl]imide were experimentally determined between (288.15 and 318.15) K. The main goal of this work is to study the isomeric effects on the pyridinium-based cation, namely, the structural and positional isomerism, as well as the alkyl side chain length. To the best of our knowledge, the influence of both structural and positional isomerism on the liquid-liquid behavior in ionic-liquid-water-containing systems is an unexplored field and is here assessed for the first time. Moreover, from the experimental solubility data, several infinite dilution molar thermodynamic functions of solution, namely, the Gibbs energy, the enthalpy, and the entropy, were estimated and discussed. In addition, aiming at gathering a broader picture of the underlying thermodynamic solvation phenomenon, molecular dynamics simulations were also carried out for the same experimental systems.

  15. In Situ Characterization of Boehmite Particles in Water Using Liquid SEM

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

    Yao, Juan; Arey, Bruce W.; Yang, Li

    In situ imaging and elemental analysis of boehmite (AlOOH) particles in water is realized using the System for Analysis at the Liquid Vacuum Interface (SALVI) and Scanning Electron Microscopy (SEM). This paper describes the method and key steps in integrating the vacuum compatible SAVLI to SEM and obtaining secondary electron (SE) images of particles in liquid in high vacuum. Energy dispersive x-ray spectroscopy (EDX) is used to obtain elemental analysis of particles in liquid. A synthesized AlOOH particle is used as a model in the liquid SEM illustration. Our results demonstrate that particles can be imaged in the SE modemore » with good resolution. The AlOOH EDX spectrum shows significant signal from the Al compared with deionized water and the empty channel control. In situ liquid SEM is a powerful technique to study particles in liquid with many exciting applications. This procedure aims to provide technical details in how to conduct liquid SEM imaging and EDX analysis using SALVI and reduce potential pitfalls using this approach for other researchers.« less

  16. Modeling species richness and abundance of phytoplankton and zooplankton in radioactively contaminated water bodies.

    PubMed

    Shuryak, Igor

    2018-06-05

    Water bodies polluted by the Mayak nuclear plant in Russia provide valuable information on multi-generation effects of radioactive contamination on freshwater organisms. For example, lake Karachay was probably the most radioactive lake in the world: its water contained ∼2 × 10 7 Bq/L of radionuclides and estimated dose rates to plankton exceeded 5 Gy/h. We performed quantitative modeling of radiation effects on phytoplankton and zooplankton species richness and abundance in Mayak-contaminated water bodies. Due to collinearity between radioactive contamination, water body size and salinity, we combined these variables into one (called HabitatFactors). We employed a customized machine learning approach, where synthetic noise variables acted as benchmarks of predictor performance. HabitatFactors was the only predictor that outperformed noise variables and, therefore, we used it for parametric modeling of plankton responses. Best-fit model predictions suggested 50% species richness reduction at HabitatFactors values corresponding to dose rates of 10 4 -10 5  μGy/h for phytoplankton, and 10 3 -10 4  μGy/h for zooplankton. Under conditions similar to those in lake Karachay, best-fit models predicted 81-98% species richness reductions for various taxa (Cyanobacteria, Bacillariophyta, Chlorophyta, Rotifera, Cladocera and Copepoda), ∼20-300-fold abundance reduction for total zooplankton, but no abundance reduction for phytoplankton. Rotifera was the only taxon whose fractional abundance increased with contamination level, reaching 100% in lake Karachay, but Rotifera species richness declined with contamination level, as in other taxa. Under severe radioactive and chemical contamination, one species of Cyanobacteria (Geitlerinema amphibium) dominated phytoplankton, and rotifers from the genus Brachionus dominated zooplankton. The modeling approaches proposed here are applicable to other radioecological data sets. The results provide quantitative information

  17. Vapor deposition of water on graphitic surfaces: formation of amorphous ice, bilayer ice, ice I, and liquid water.

    PubMed

    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(B)(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(B)(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. 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.

  19. Strong Control of Salts on Near Surface Liquid Water Content in a High Polar Desert Indicated by Near Surface Resistivity Mapping with a Helicopter-Borne TEM Sensor, Lower Taylor Valley, Antarctica

    NASA Astrophysics Data System (ADS)

    Foley, N.; Tulaczyk, S. M.; Auken, E.; Mikucki, J.; Myers, K. F.; Dugan, H.; Doran, P. T.; Virginia, R. A.

    2016-12-01

    Closed depressions in the Lower Taylor Valley (McMurdo Dry Valleys, Antarctica) have near surface (top 5m) electrical resistivity that is lower by about an order of magnitude than the resistivity of nearby slopes and ridges (100s of ohm-m vs. 1000s). We interpret this spatial pattern as being due to long term concentration of salts carried by liquid water and/or deliquescent vapor fronts. High concentration of salts in the top decimeters to meters beneath the surface may prolong the existence and abundance of liquid water in this otherwise very cold and dry high polar desert. Due to its connections with life and chemical transport, liquid water is a much studied feature in the McMurdo Dry Valleys. This setting can be used as an analogue for similar features on the surface of Mars, where liquid water tracks have been observed and are believed to be controlled by eutectic brines. Our study demonstrates the utility of mapping at a regional scale via helicopter-borne Transient EM. Airborne EM covers more ground and can measure deeper than surface-based measurements, at the expense of resolution. This allows creating valley-scale datasets which could not feasibly be collected on the ground. Our remote measurements complement physical samples that indicate that soluble salts concentrate in certain areas of surface soil where water moves ions and is later removed by evaporation or sublimation. In areas where we measured low resistivity, the integrated liquid water fraction in the top 5m may be a few to several percent by volume, equivalent to a few or several dozens of cm of water layer thickness. This estimate assumes that the interstitial waters have very low resistivity, comparable to seawater or hypersaline brines at freezing (0.2-0.35 ohm-m). If soil water was considerably fresher than this, liquid water content would have to reach dozens of percent throughout the top 5m for bulk resistivities to drop to 100s of ohm-m. We consider the latter case to be unlikely as

  20. Research on Liquid Management Technology in Water Tank and Reactor for Propulsion System with Hydrogen Production System Utilizing Aluminum and Water Reaction

    NASA Astrophysics Data System (ADS)

    Imai, Ryoji; Imamura, Takuya; Sugioka, Masatoshi; Higashino, Kazuyuki

    2017-12-01

    High pressure hydrogen produced by aluminum and water reaction is considered to be applied to space propulsion system. Water tank and hydrogen production reactor in this propulsion system require gas and liquid separation function under microgravity condition. We consider to install vane type liquid acquisition device (LAD) utilizing surface tension in the water tank, and install gas-liquid separation mechanism by centrifugal force which swirling flow creates in the hydrogen reactor. In water tank, hydrophilic coating was covered on both tank wall and vane surface to improve wettability. Function of LAD in water tank and gas-liquid separation in reaction vessel were evaluated by short duration microgravity experiments using drop tower facility. In the water tank, it was confirmed that liquid was driven and acquired on the outlet due to capillary force created by vanes. In addition of this, it was found that gas-liquid separation worked well by swirling flow in hydrogen production reactor. However, collection of hydrogen gas bubble was sometimes suppressed by aluminum alloy particles, which is open problem to be solved.

  1. Water in Room Temperature Ionic Liquids

    NASA Astrophysics Data System (ADS)

    Fayer, Michael

    2014-03-01

    Room temperature ionic liquids (or RTILs, salts with a melting point below 25 °C) have become a subject of intense study over the last several decades. Currently, RTIL application research includes synthesis, batteries, solar cells, crystallization, drug delivery, and optics. RTILs are often composed of an inorganic anion paired with an asymmetric organic cation which contains one or more pendant alkyl chains. The asymmetry of the cation frustrates crystallization, causing the salt's melting point to drop significantly. In general, RTILs are very hygroscopic, and therefore, it is of interest to examine the influence of water on RTIL structure and dynamics. In addition, in contrast to normal aqueous salt solutions, which crystallize at low water concentration, in an RTIL it is possible to examine isolated water molecules interacting with ions but not with other water molecules. Here, optical heterodyne-detected optical Kerr effect (OHD-OKE) measurements of orientational relaxation on a series of 1-alkyl-3-methylimidazolium tetrafluoroborate RTILs as a function of chain length and water concentration are presented. The addition of water to the longer alkyl chain RTILs causes the emergence of a long time bi-exponential orientational anisotropy decay. Such decays have not been seen previously in OHD-OKE experiments on any type of liquid and are analyzed here using a wobbling-in-a-cone model. The orientational relaxation is not hydrodynamic, with the slowest relaxation component becoming slower as the viscosity decreases for the longest chain, highest water content samples. The dynamics of isolated D2O molecules in 1-butyl-3-methylimidazolium hexafluorophosphate (BmImPF6) were examined using two dimensional infrared (2D IR) vibrational echo spectroscopy. Spectral diffusion and incoherent and coherent transfer of excitation between the symmetric and antisymmetric modes are examined. The coherent transfer experiments are used to address the nature of inhomogeneous

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

    DOE PAGES

    Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; ...

    2015-12-05

    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)more » 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.« less

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

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

    Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico

    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)more » 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.« less

  4. Ionic liquid/water mixtures: from hostility to conciliation.

    PubMed

    Kohno, Yuki; Ohno, Hiroyuki

    2012-07-21

    Water was originally inimical to ionic liquids (ILs) especially in the analysis of their detailed properties. Various data on the properties of ILs indicate that there are two ways to design functions of ionic liquids. The first is to change the structure of component ions, to provide "task-specific ILs". The second is to mix ILs with other components, such as other ILs, organic solvents or water. Mixing makes it easy to control the properties of the solution. In this strategy, water is now a very important partner. Below, we summarise our recent results on the properties of IL/water mixtures. Stable phase separation is an effective method in some separation processes. Conversely, a dynamic phase change between a homogeneous mixture and separation of phases is important in many fields. Analysis of the relation between phase behaviour and the hydration state of the component ions indicates that the pattern of phase separation is governed by the hydrophilicity of the ions. Sufficiently hydrophilic ions yielded ILs that are miscible with water, and hydrophobic ions gave stable phase separation with water. ILs composed of hydrophobic but hydrated ions undergo a dynamic phase change between a homogeneous mixture and separate phases according to temperature. ILs having more than seven water molecules per ion pair undergo this phase transition. These dynamic phase changes are considered, with some examples, and application is made to the separation of water-soluble proteins.

  5. Discovering local order parameters in liquid water using machine learning

    NASA Astrophysics Data System (ADS)

    Soto, Adrian; Lu, Deyu; Yoo, Shinjae; Fernandez-Serra, Marivi

    The local arrangement of water molecules in liquid phase is still being discussed and questioned. The prevailing view is that water is composed of a mixture of two structurally different liquids. One of the main challenges has been to find order parameters that are able to discriminate the complex structures of these distinct molecular environments. Several local order parameters have been proposed and studied in all sorts of atomistic simulations of liquid water but, to date, none has been able to capture the predicted dual character. This presents an ideal problem to treat with methods capable of unveiling information from complex data. In this talk we will discuss how local order parameters can be constructed from molecular dynamics trajectories by using machine learning and other related techniques. Work was partially supported by DOE Award No. DE-FG02-09ER16052, by DOE Early Career Award No. DE-SC0003871, by BNL LDRD 16-039 project and BNL Contract No. DE-SC0012704.

  6. Computational prediction of ionic liquid 1-octanol/water partition coefficients.

    PubMed

    Kamath, Ganesh; Bhatnagar, Navendu; Baker, Gary A; Baker, Sheila N; Potoff, Jeffrey J

    2012-04-07

    Wet 1-octanol/water partition coefficients (log K(ow)) predicted for imidazolium-based ionic liquids using adaptive bias force-molecular dynamics (ABF-MD) simulations lie in excellent agreement with experimental values. These encouraging results suggest prospects for this computational tool in the a priori prediction of log K(ow) values of ionic liquids broadly with possible screening implications as well (e.g., prediction of CO(2)-philic ionic liquids).

  7. 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

  8. Glass transition of aqueous solutions involving annealing-induced ice recrystallization resolves liquid-liquid transition puzzle of water

    PubMed Central

    Zhao, Li-Shan; Cao, Ze-Xian; Wang, Qiang

    2015-01-01

    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, . Here we report a universal water-content, , dependence of for aqueous solutions. Solutions with vitrify/devitrify at a constant temperature, , referring to freeze-concentrated phase with left behind ice crystallization. Those solutions with totally vitrify at under conventional cooling/heating process though, of the samples annealed at temperatures   to effectively evoke ice recrystallization is stabilized at . Experiments on aqueous glycerol and 1,2,4-butanetriol solutions in literature were repeated, and the same samples subject to other annealing treatments equally reproduce the result. The upshift of by annealing is attributable to freeze-concentrated phase of solutions instead of ‘liquid II phase of water’. Our work also provides a reliable method to determine hydration formula and to scrutinize solute-solvent interaction in solution. PMID:26503911

  9. Probing the triplet correlation function in liquid water by experiments and molecular simulations.

    PubMed

    Dhabal, Debdas; Wikfeldt, Kjartan Thor; Skinner, Lawrie B; Chakravarty, Charusita; Kashyap, Hemant K

    2017-01-25

    Despite very significant developments in scattering experiments like X-ray and neutron diffraction, it has been challenging to elucidate the nature of tetrahedral molecular configurations in liquid water. A key question is whether the pair correlation functions, which can be obtained from scattering experiments, are sufficient to describe the tetrahedral ordering of water molecules. In our previous study (Dhabal et al., J. Chem. Phys., 2014, 141, 174504), using data-sets generated from reverse Monte Carlo and molecular dynamics simulations, we showed that the triplet correlation functions contain important information on the tetrahedrality of water in the liquid state. In the present study, X-ray scattering experiments and molecular dynamics (MD) simulations are used to link the isothermal pressure derivative of the structure factor with the triplet correlation functions for water. Triplet functions are determined for water up to 3.3 kbar at 298 K to display the effect of pressure on the water structure. The results suggest that triplet functions (H[combining tilde](q)) obtained using a rigid-body TIP4P/2005 water model are consistent with the experimental results. The triplet functions obtained in experiment as well as in simulations evince that in the case of tetrahedral liquids, exertion of higher pressure leads to a better agreement with the Kirkwood superposition approximation (KSA). We further validate this observation using the triplet correlation functions (g (3) (r,s,t)) calculated directly from simulation trajectory, revealing that both H[combining tilde](q) in q-space and g (3) (r,s,t) in real-space contain similar information on the tetrahedrality of liquids. This study demonstrates that the structure factor, even though it has only pair correlation information of the liquid structure, can shed light on three-body correlations in liquid water through its isothermal pressure derivative term.

  10. Water: two liquids divided by a common hydrogen bond.

    PubMed

    Soper, Alan K

    2011-12-08

    The structure of water is the subject of a long and ongoing controversy. Unlike simpler liquids, where atomic interactions are dominated by strong repulsive forces at short distances and weaker attractive (van der Waals) forces at longer distances, giving rise to local atomic coordination numbers of order 12, water has pronounced and directional hydrogen bonds which cause the dense liquid close-packed structure to open out into a disordered and dynamic network, with coordination number 4-5. Here I show that water structure can be accurately represented as a mixture of two identical, interpenetrating, molecular species separated by common hydrogen bonds. Molecules of one type can form hydrogen bonds with molecules of the other type but cannot form hydrogen bonds with molecules of the same type. These hydrogen bonds are strong along the bond but weak with respect to changes in the angle between neighboring bonds. The observed pressure and temperature dependence of water structure and thermodynamic properties follow naturally from this choice of water model, and it also gives a simple explanation of the enduring claims based on spectroscopic evidence that water is a mixture of two components. © 2011 American Chemical Society

  11. Polymer formulation for removing hydrogen and liquid water from an enclosed space

    DOEpatents

    Shepodd, Timothy J [Livermore, CA

    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.

  12. 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

  13. Supercooled and glassy water: Metastable liquid(s), amorphous solid(s), and a no-man’s land

    PubMed Central

    Handle, Philip H.; Sciortino, Francesco

    2017-01-01

    We review the recent research on supercooled and glassy water, focusing on the possible origins of its complex behavior. We stress the central role played by the strong directionality of the water–water interaction and by the competition between local energy, local entropy, and local density. In this context we discuss the phenomenon of polyamorphism (i.e., the existence of more than one disordered solid state), emphasizing both the role of the preparation protocols and the transformation between the different disordered ices. Finally, we present the ongoing debate on the possibility of linking polyamorphism with a liquid–liquid transition that could take place in the no-man’s land, the temperature–pressure window in which homogeneous nucleation prevents the investigation of water in its metastable liquid form. PMID:29133419

  14. Liquid Water Transport in the Reactant Channels of Proton Exchange Membrane Fuel Cells

    NASA Astrophysics Data System (ADS)

    Banerjee, Rupak

    Water management has been identified as a critical issue in the development of PEM fuel cells for automotive applications. Water is present inside the PEM fuel cell in three phases, i.e. liquid phase, vapor phase and mist phase. Liquid water in the reactant channels causes flooding of the cell and blocks the transport of reactants to the reaction sites at the catalyst layer. Understanding the behavior of liquid water in the reactant channels would allow us to devise improved strategies for removing liquid water from the reactant channels. In situ fuel cell tests have been performed to identify and diagnose operating conditions which result in the flooding of the fuel cell. A relationship has been identified between the liquid water present in the reactant channels and the cell performance. A novel diagnostic technique has been established which utilizes the pressure drop multiplier in the reactant channels to predict the flooding of the cell or the drying-out of the membrane. An ex-situ study has been undertaken to quantify the liquid water present in the reactant channels. A new parameter, the Area Coverage Ratio (ACR), has been defined to identify the interfacial area of the reactant channel which is blocked for reactant transport by the presence of liquid water. A parametric study has been conducted to study the effect of changing temperature and the inlet relative humidity on the ACR. The ACR decreases with increase in current density as the gas flow rates increase, removing water more efficiently. With increase in temperature, the ACR decreases rapidly, such that by 60°C, there is no significant ACR to be reported. Inlet relative humidity of the gases does change the saturation of the gases in the channel, but did not show any significant effect on the ACR. Automotive powertrains, which is the target for this work, are continuously faced with transient changes. Water management under transient operating conditions is significantly more challenging and has not

  15. 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

  16. 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.

  17. 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

  18. Accurate experimental determination of the isotope effects on the triple point temperature of water. I. Dependence on the 2H abundance

    NASA Astrophysics Data System (ADS)

    Faghihi, V.; Peruzzi, A.; Aerts-Bijma, A. T.; Jansen, H. G.; Spriensma, J. J.; van Geel, J.; Meijer, H. A. J.

    2015-12-01

    Variation in the isotopic composition of water is one of the major contributors to uncertainty in the realization of the triple point of water (TPW). Although the dependence of the TPW on the isotopic composition of the water has been known for years, there is still a lack of a detailed and accurate experimental determination of the values for the correction constants. This paper is the first of two articles (Part I and Part II) that address quantification of isotope abundance effects on the triple point temperature of water. In this paper, we describe our experimental assessment of the 2H isotope effect. We manufactured five triple point cells with prepared water mixtures with a range of 2H isotopic abundances encompassing widely the natural abundance range, while the 18O and 17O isotopic abundance were kept approximately constant and the 18O  -  17O ratio was close to the Meijer-Li relationship for natural waters. The selected range of 2H isotopic abundances led to cells that realised TPW temperatures between approximately  -140 μK to  +2500 μK with respect to the TPW temperature as realized by VSMOW (Vienna Standard Mean Ocean Water). Our experiment led to determination of the value for the δ2H correction parameter of A2H  =  673 μK / (‰ deviation of δ2H from VSMOW) with a combined uncertainty of 4 μK (k  =  1, or 1σ).

  19. IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively.

    PubMed

    Ni, Yicun; Skinner, J L

    2015-07-07

    Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFG spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm(-1) and a positive band centered at 1670 cm(-1). We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.

  20. IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively

    NASA Astrophysics Data System (ADS)

    Ni, Yicun; Skinner, J. L.

    2015-07-01

    Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFG spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm-1 and a positive band centered at 1670 cm-1. We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.

  1. IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively

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

    Ni, Yicun; Skinner, J. L.

    Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFGmore » spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm{sup −1} and a positive band centered at 1670 cm{sup −1}. We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.« less

  2. Messages from the Reversing Layer: Clues to Planet Formation in Spectral Abundances

    NASA Astrophysics Data System (ADS)

    Brewer, John Michael; Fischer, Debra; Basu, Sarbani

    2017-01-01

    The abundances of elements in the protoplanetary disk evolve over time, but stellar abundances will reflect the initial chemical composition of the disk and this can provide constraints on the range of possible outcomes for planet interiors. Rocky planet habitability depends not just on the availability of liquid water, but also on volcansim and plate tectonics that can stabilize the climate on long timescales. The slow evolution of abundances in stellar photospheres, particularly abundance ratios between elements, makes them ideal laboratories to study primordial disk compositions.In my thesis work, I developed a new spectroscopic analysis procedure that derives gravities consistent with asteroseismology to within 0.05 dex as well as abundances for 15 elements. Using this procedure, we analyzed and published a catalog of accurate stellar parameters and precise abundances for more than 1600 stars and used those to investigate questions of planet formation. The C/O and Mg/Si ratios in the solar neighborhood could affect rocky planet habitability. For lucky cases where planet atmosphereic abundances can be measured, the stellar host C/O and [O/H] ratios carry information about the formation site and migration of hot Jupiters. I will present results on both rocky planet compositions and hot Jupiter migration and discuss how they can help us identify potentially habitable systems and discriminate between different planet formation models.

  3. Water erosion on mars and its biologic implications

    USGS Publications Warehouse

    Carr, M.H.

    1996-01-01

    The Martian surface shows abundant evidence of water erosion. Liquid water is unstable under present climatic conditions but conditions may have been different in the past. The planet has been volcanically active throughout its history. The combination of water and volcanism must have commonly resulted in hydrothermal environments similar to those in which grow the most primitive terrestrial life-forms.

  4. Sunlight creates oxygenated species in water-soluble fractions of Deepwater Horizon oil.

    PubMed

    Ray, Phoebe Z; Chen, Huan; Podgorski, David C; McKenna, Amy M; Tarr, Matthew A

    2014-09-15

    In order to assess the impact of sunlight on oil fate, Macondo well oil from the Deepwater Horizon (DWH) rig was mixed with pure water and irradiated with simulated sunlight. After irradiation, the water-soluble organics (WSO) from the dark and irradiated samples were extracted and characterized by ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Liquid-liquid extraction yielded two fractions from dark and irradiated water/oil mixtures: acidic WSOs (negative-ion electrospray (ESI)), and base/neutral WSOs (positive-ion ESI) coupled to FT-ICR MS to catalog molecular-level transformations that occur to Macondo-derived WSOs after solar irradiation. Such direct measure of oil phototransformation has not been previously reported. The most abundant heteroatom class detected in the irradiated WSO acid fractions correspond to molecules that contain five oxygens (O5), while the most abundant acids in the dark samples contain two oxygen atoms per molecule (O2). Higher-order oxygen classes (O5-O9) were abundant in the irradiated samples, but <1.5% relative abundance in the dark sample. The increased abundance of higher-order oxygen classes in the irradiated samples relative to the dark samples indicates that photooxidized components of the Macondo crude oil become water-soluble after irradiation. The base/neutral fraction showed decreased abundance of pyridinic nitrogen (N1) concurrent with an increased abundance of N1Ox classes after irradiation. The predominance of higher-order oxygen classes indicates that multiple photochemical pathways exist that result in oxidation of petroleum compounds. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. PREFACE: Dynamic crossover phenomena in water and other glass-forming liquids Dynamic crossover phenomena in water and other glass-forming liquids

    NASA Astrophysics Data System (ADS)

    Chen, Sow-Hsin; Baglioni, Piero

    2012-02-01

    This special section has been inspired by the workshop on Dynamic Crossover Phenomena in Water and Other Glass-Forming Liquids, held during November 11-13, 2010 at Pensione Bencistà, Fiesole, Italy, a well-preserved 14th century Italian villa tucked high in the hills overlooking Florence. The meeting, an assembly of world renowned scientists, was organized as a special occasion to celebrate the 75th birthday of Professor Sow-Hsin Chen of MIT, a pioneer in several aspects of complex fluids and soft matter physics. The workshop covered a large variety of experimental and theoretical research topics of current interest related to dynamic crossover phenomena in water and, more generally, in other glass-forming liquids. The 30 invited speakers/lecturers and approximately 60 participants were a select group of prominent physicists and chemists from the USA, Europe, Asia and Mexico, who are actively working in the field. Some highlights of this special issue include the following works. Professor Yamaguchi's group and their collaborators present a neutron spin echo study of the coherent intermediate scattering function of heavy water confined in cylindrical pores of MCM-41-C10 silica material in the temperature range 190-298 K. They clearly show that a fragile-to-strong (FTS) dynamic crossover occurs at about 225 K. They attribute the FTS dynamic crossover to the formation of a tetrahedral-like structure, which is preserved in the bulk-like water confined to the central part of the cylindrical pores. Mamontov and Kolesnikov et al study the collective excitations in an aqueous solution of lithium chloride over a temperature range of 205-270 K using neutron and x-ray Rayleigh-Brillouin (coherent) scattering. They detect both the low-frequency and the high-frequency sounds known to exist in pure bulk water above the melting temperature. They also perform neutron (incoherent) and x-ray (coherent) elastic intensity scan measurements. Clear evidence of the crossover in the

  6. Water on the surface of the Moon as seen by the Moon Mineralogy Mapper: Distribution, abundance, and origins

    PubMed Central

    Li, Shuai; Milliken, Ralph E.

    2017-01-01

    A new thermal correction model and experimentally validated relationships between absorption strength and water content have been used to construct the first global quantitative maps of lunar surface water derived from the Moon Mineralogy Mapper near-infrared reflectance data. We find that OH abundance increases as a function of latitude, approaching values of ~500 to 750 parts per million (ppm). Water content also increases with the degree of space weathering, consistent with the preferential retention of water originating from solar wind implantation during agglutinate formation. Anomalously high water contents indicative of interior magmatic sources are observed in several locations, but there is no global correlation between surface composition and water content. Surface water abundance can vary by ~200 ppm over a lunar day, and the upper meter of regolith may contain a total of ~1.2 × 1014 g of water averaged over the globe. Formation and migration of water toward cold traps may thus be a continuous process on the Moon and other airless bodies. PMID:28924612

  7. Two-step emulsification process for water-in-oil-in-water multiple emulsions stabilized by lamellar liquid crystals.

    PubMed

    Ito, Toshifumi; Tsuji, Yukitaka; Aramaki, Kenji; Tonooka, Noriaki

    2012-01-01

    Multiple emulsions, also called complex emulsions or multiphase emulsions, include water-in-oil-in-water (W/O/W)-type and oil-in-water-in-oil (O/W/O)-type emulsions. W/O/W-type multiple emulsions, obtained by utilizing lamellar liquid crystal with a layer structure showing optical anisotropy at the periphery of emulsion droplets, are superior in stability to O/W/O-type emulsions. In this study, we investigated a two-step emulsification process for a W/O/W-type multiple emulsion utilizing liquid crystal emulsification. We found that a W/O/W-type multiple emulsion containing lamellar liquid crystal can be prepared by mixing a W/O-type emulsion (prepared by primary emulsification) with a lamellar liquid crystal obtained from poly(oxyethylene) stearyl ether, cetyl alcohol, and water, and by dispersing and emulsifying the mixture in an outer aqueous phase. When poly(oxyethylene) stearyl ether and cetyl alcohol are each used in a given amount and the amount of water added is varied from 0 to 15 g (total amount of emulsion, 100 g), a W/O/W-type multiple emulsion is efficiently prepared. When the W/O/W-type multiple emulsion was held in a thermostatic bath at 25°C, the droplet size distribution showed no change 0, 30, or 60 days after preparation. Moreover, the W/O/W-type multiple emulsion strongly encapsulated Uranine in the inner aqueous phase as compared with emulsions prepared by one-step emulsification.

  8. Connecting thermodynamic and dynamical anomalies of water-like liquid-liquid phase transition in the Fermi-Jagla model

    NASA Astrophysics Data System (ADS)

    Higuchi, Saki; Kato, Daiki; Awaji, Daisuke; Kim, Kang

    2018-03-01

    We present a study using molecular dynamics simulations based on the Fermi-Jagla potential model, which is the continuous version of the mono-atomic core-softened Jagla model [J. Y. Abraham, S. V. Buldyrev, and N. Giovambattista, J. Phys. Chem. B 115, 14229 (2011)]. This model shows the water-like liquid-liquid phase transition between high-density and low-density liquids at the liquid-liquid critical point. In particular, the slope of the coexistence line becomes weakly negative, which is expected to represent one of the anomalies of liquid polyamorphism. In this study, we examined the density, dynamic, and thermodynamic anomalies in the vicinity of the liquid-liquid critical point. The boundaries of density, self-diffusion, shear viscosity, and excess entropy anomalies were characterized. Furthermore, these anomalies are connected according to Rosenfeld's scaling relationship between the excess entropy and the transport coefficients such as diffusion and viscosity. The results demonstrate the hierarchical and nested structures regarding the thermodynamic and dynamic anomalies of the Fermi-Jagla model.

  9. Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions

    NASA Astrophysics Data System (ADS)

    Miceli, Giacomo; de Gironcoli, Stefano; Pasquarello, Alfredo

    2015-01-01

    We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal density functional augmented with nonlocal van der Waals interactions. The adopted scheme offers the advantage of simulating liquid water at essentially the same computational cost of standard semilocal functionals. Applied to the water dimer and to ice Ih, we find that the hydrogen-bond energy is only slightly enhanced compared to a standard semilocal functional. We simulate liquid water through molecular dynamics in the NpH statistical ensemble allowing for fluctuations of the system density. The structure of the liquid departs from that found with a semilocal functional leading to more compact structural arrangements. This indicates that the directionality of the hydrogen-bond interaction has a diminished role as compared to the overall attractions, as expected when dispersion interactions are accounted for. This is substantiated through a detailed analysis comprising the study of the partial radial distribution functions, various local order indices, the hydrogen-bond network, and the selfdiffusion coefficient. The explicit treatment of the van der Waals interactions leads to an overall improved description of liquid water.

  10. Heating-induced glass-glass and glass-liquid transformations in computer simulations of water.

    PubMed

    Chiu, Janet; Starr, Francis W; Giovambattista, Nicolas

    2014-03-21

    Water exists in at least two families of glassy states, broadly categorized as the low-density (LDA) and high-density amorphous ice (HDA). Remarkably, LDA and HDA can be reversibly interconverted via appropriate thermodynamic paths, such as isothermal compression and isobaric heating, exhibiting first-order-like phase transitions. We perform out-of-equilibrium molecular dynamics simulations of glassy water using the ST2 model to study the evolution of LDA and HDA upon isobaric heating. Depending on pressure, glass-to-glass, glass-to-crystal, glass-to-vapor, as well as glass-to-liquid transformations are found. Specifically, heating LDA results in the following transformations, with increasing heating pressures: (i) LDA-to-vapor (sublimation), (ii) LDA-to-liquid (glass transition), (iii) LDA-to-HDA-to-liquid, (iv) LDA-to-HDA-to-liquid-to-crystal, and (v) LDA-to-HDA-to-crystal. Similarly, heating HDA results in the following transformations, with decreasing heating pressures: (a) HDA-to-crystal, (b) HDA-to-liquid-to-crystal, (c) HDA-to-liquid (glass transition), (d) HDA-to-LDA-to-liquid, and (e) HDA-to-LDA-to-vapor. A more complex sequence may be possible using lower heating rates. For each of these transformations, we determine the corresponding transformation temperature as function of pressure, and provide a P-T "phase diagram" for glassy water based on isobaric heating. Our results for isobaric heating dovetail with the LDA-HDA transformations reported for ST2 glassy water based on isothermal compression/decompression processes [Chiu et al., J. Chem. Phys. 139, 184504 (2013)]. The resulting phase diagram is consistent with the liquid-liquid phase transition hypothesis. At the same time, the glass phase diagram is sensitive to sample preparation, such as heating or compression rates. Interestingly, at least for the rates explored, our results suggest that the LDA-to-liquid (HDA-to-liquid) and LDA-to-HDA (HDA-to-LDA) transformation lines on heating are related

  11. Heating-induced glass-glass and glass-liquid transformations in computer simulations of water

    NASA Astrophysics Data System (ADS)

    Chiu, Janet; Starr, Francis W.; Giovambattista, Nicolas

    2014-03-01

    Water exists in at least two families of glassy states, broadly categorized as the low-density (LDA) and high-density amorphous ice (HDA). Remarkably, LDA and HDA can be reversibly interconverted via appropriate thermodynamic paths, such as isothermal compression and isobaric heating, exhibiting first-order-like phase transitions. We perform out-of-equilibrium molecular dynamics simulations of glassy water using the ST2 model to study the evolution of LDA and HDA upon isobaric heating. Depending on pressure, glass-to-glass, glass-to-crystal, glass-to-vapor, as well as glass-to-liquid transformations are found. Specifically, heating LDA results in the following transformations, with increasing heating pressures: (i) LDA-to-vapor (sublimation), (ii) LDA-to-liquid (glass transition), (iii) LDA-to-HDA-to-liquid, (iv) LDA-to-HDA-to-liquid-to-crystal, and (v) LDA-to-HDA-to-crystal. Similarly, heating HDA results in the following transformations, with decreasing heating pressures: (a) HDA-to-crystal, (b) HDA-to-liquid-to-crystal, (c) HDA-to-liquid (glass transition), (d) HDA-to-LDA-to-liquid, and (e) HDA-to-LDA-to-vapor. A more complex sequence may be possible using lower heating rates. For each of these transformations, we determine the corresponding transformation temperature as function of pressure, and provide a P-T "phase diagram" for glassy water based on isobaric heating. Our results for isobaric heating dovetail with the LDA-HDA transformations reported for ST2 glassy water based on isothermal compression/decompression processes [Chiu et al., J. Chem. Phys. 139, 184504 (2013)]. The resulting phase diagram is consistent with the liquid-liquid phase transition hypothesis. At the same time, the glass phase diagram is sensitive to sample preparation, such as heating or compression rates. Interestingly, at least for the rates explored, our results suggest that the LDA-to-liquid (HDA-to-liquid) and LDA-to-HDA (HDA-to-LDA) transformation lines on heating are related

  12. Can water-level management reduce malaria mosquito abundance around large dams in sub-Saharan Africa?

    PubMed Central

    Wilson, G. Glenn; Ryder, Darren; Tekie, Habte; Petros, Beyene

    2018-01-01

    Background Water level management has been suggested as a potential tool to reduce malaria around large reservoirs. However, no field-based test has been conducted to assess the effect of water level management on mosquito larval abundance in African settings. The objective of the present study is to evaluate the effects of water level drawdown rates on mosquito larval abundance. Methods Twelve experimental dams were constructed on the foreshore of the Koka Dam in Ethiopia. These were grouped into four daily water drawdown treatments, each with three replicates: no water-level drawdown (Group 1; Control), 10 mm.d-1 (Group 2), 15 mm.d-1 (Group 3) and 20 mm.d-1 (Group 4). Larval sampling was conducted weekly for a period of 6 weeks each in the main malaria transmission season (October to November 2013) and subsequent dry season (February to March 2014). Larval densities were compared among treatments over time using repeated measures Analysis of Variance (ANOVA). Results A total of 284 Anopheles mosquito larvae were collected from the experimental dams during the study period. Most (63.4%; n = 180) were collected during the main malaria transmission season while the remaining (36.6%; n = 104) were collected during the dry season. Larvae comprised four Anopheles species, dominated by Anopheles arabiensis (48.1% of total larval samples; n = 136) and An. pharoensis (33.2%; n = 94). Mean larval density was highest in control treatment dams with stable water levels throughout the study, and decreased significantly (P < 0.05) with increasing water drawdown rates in both seasons. During the main transmission season, anopheline larval density was generally lower by 30%, 70% and 84% in Groups 2, Group 3 and Group 4, respectively, compared with the control dams (Group 1). In the dry season, larval density was reduced by 45%, 70% and 84% in Groups 2, Group 3 and Group 4, respectively, when compared to the control dams. Conclusion Increased water drawdown rates were associated

  13. 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

    2017-09-01

    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.

  14. 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.

  15. 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

  16. Liquid interfacial water and brines in the upper surface of Mars

    NASA Astrophysics Data System (ADS)

    Moehlmann, Diedrich

    2013-04-01

    Liquid interfacial water and brines in the upper surface of Mars Diedrich T.F. Möhlmann DLR Institut für Planetenforschung, Rutherfordstr. 2, D - 12489 Berlin, Germany dirk.moehlmann@dlr.de Interfacial water films and numerous brines are known to remain liquid at temperatures far below 0° C. The physical processes behind are described in some detail. Deliquescence, i.e. the liquefaction of hygroscopic salts at the threshold of a specific "Deliquescence Relative Humidity", is shown to be that process, which on present Mars supports the formation of stable interfacial water and bulk liquids in form of temporary brines on and in a salty upper surface of present Mars in a diurnally temporary and repetitive process. Temperature and relative humidity are the governing conditions for deliquescence (and the counterpart "efflorescence") to evolve. The current thermo-dynamical conditions on Mars support these processes to evolve on present Mars. The deliquescence-driven presence of liquid brines in the soil of the upper surface of Mars can expected to be followed by physical and chemical processes like "surface cementation", down-slope flows, and physical and chemical weathering processes. A remarkable and possibly also biologically relevant evolution towards internally interfacial water bearing structures of dendritic capillaries is related to their freezing - thawing driven formation. The internal walls of these network-pores or -tubes can be covered by films of interfacial water, providing that way possibly habitable crack-systems in soil and rock. These evolutionary processes of networks, driven by their tip-growth, can expected to be ongoing also at present.

  17. 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.

  18. 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...

  19. Correlation Between Existence of Reef Sharks with Abundance of Reef Fishes in South Waters of Morotai Island (North Moluccas)

    NASA Astrophysics Data System (ADS)

    Mukharror, Darmawan Ahmad; Tiara Baiti, Isnaini; Ichsan, Muhammad; Pridina, Niomi; Triutami, Sanny

    2017-10-01

    Despite increasing academic research citation on biology, abundance, and the behavior of the blacktip reef sharks, the influence of reef fish population on the density of reef sharks: Carcharhinus melanopterus and Triaenodon obesus population in its habitat were largely unassessed. This present study examined the correlation between abundance of reef fishes family/species with the population of reef sharks in Southern Waters of Morotai Island. The existence of reef sharks was measured with the Audible Stationary Count (ASC) methods and the abundance of reef fishes was surveyed using Underwater Visual Census (UVC) combined with Diver Operated Video (DOV) census. The coefficient of Determination (R2) was used to investigate the degree of relationships between sharks and the specific reef fishes species. The research from 8th April to 4th June 2015 showed the strong positive correlations between the existence of reef sharks with abundance of reef fishes. The correlation values between Carcharhinus melanopterus/Triaenodon obesus with Chaetodon auriga was 0.9405, blacktip/whitetip reef sharks versus Ctenochaetus striatus was 0.9146, and Carcharhinus melanopterus/Triaenodon obesus to Chaetodon kleinii was 0.8440. As the shark can be worth more alive for shark diving tourism than dead in a fish market, the abundance of these reef fishes was important as an early indication parameter of shark existence in South Water of Morotai Island. In the long term, this highlights the importance of reef fishes abundance management in Morotai Island’s Waters to enable the establishment of appropriate and effective reef sharks conservation.

  20. Seasonal abundance and vertical distribution of capelin (Mallotus villosus) in relation to water temperature at a coastal site off eastern Newfoundland

    USGS Publications Warehouse

    Methven, David A.; Piatt, John F.

    1991-01-01

    The seasonal abundance and vertical distribution of capelin in relation to water temperature have been investigated by conducting repeated hydroacoustic surveys at a coastal site off eastern Newfoundland. Water temperatures were warmer in 1983 than in 1984 as indicated by the earlier appearance and greater depth of the seasonal thermocline. Correspondingly, schools of capelin appeared earlier, were more abundant, and extended deeper in the water column in 1983 than in 1984. Most capelin were found between the surface and the 5°C isotherm. In both years, initial peaks of capelin abundance occurred when nearshore water temperatures increased from about 0-1°C to above 6°C and, at or near, periods of maximum tidal oscillation. Short-term variations in the depth of the 5°C isotherm were related to nearshore wind-induced upwelling events. Annual variations corresponded to the volume of cold (>0°C) water and sea-ice transported south by the Labrador Current.

  1. Shallow transient liquid water environments on present-day mars, and their implications for life

    NASA Astrophysics Data System (ADS)

    Jones, Eriita G.

    2018-05-01

    The identification and characterisation of subsurface liquid water environments on Mars are of high scientific interest. Such environments have the potential to support microbial life, and, more broadly, to develop our understanding of the habitability of planets and moons beyond Earth. Given our current state of knowledge of life on Earth, three pre-requisites are necessary for an environment to be considered 'habitable' and therefore capable of supporting terrestrial-like life: energy, biogenic elements, and liquid water with a sufficiently high water activity. The surface of Mars today is predominately cold and dry, and any liquid water exposed to the atmosphere will vaporise or freeze on timescales of hours to days. These conditions have likely persisted for much of the last 10 million years, and perhaps longer. Despite this, briny liquid water flows (Recurrent Slope Linea) have been observed in a number of locations in the present-day. This review examines evidence from the Phoenix Lander (2008) and the Mars Science Laboratory (2012-current), to assess the occurrence of habitable conditions in the shallow Martian regolith. It will be argued that shallow, transient, liquid water brines are potentially habitable by microbial life, are likely a widespread occurrence on Mars, and that future exploration aimed at finding present-day habitable conditions and potential biology should 'follow the salt'.

  2. Predicting glass-to-glass and liquid-to-liquid phase transitions in supercooled water using classical nucleation theory

    NASA Astrophysics Data System (ADS)

    Tournier, Robert F.

    2018-01-01

    Glass-to-glass and liquid-to-liquid phase transitions are observed in bulk and confined water, with or without applied pressure. They result from the competition of two liquid phases separated by an enthalpy difference depending on temperature. The classical nucleation equation of these phases is completed by this quantity existing at all temperatures, a pressure contribution, and an enthalpy excess. This equation leads to two homogeneous nucleation temperatures in each liquid phase; the first one (Tn- below Tm) being the formation temperature of an "ordered" liquid phase and the second one corresponding to the overheating temperature (Tn+ above Tm). Thermodynamic properties, double glass transition temperatures, sharp enthalpy and volume changes are predicted in agreement with experimental results. The first-order transition line at TLL = 0.833 × Tm between fragile and strong liquids joins two critical points. Glass phase above Tg becomes "ordered" liquid phase disappearing at TLL at low pressure and at Tn+ = 1.302 × Tm at high pressure.

  3. Liquid-liquid equilibria for 2,3-butanediol + water + organic solvents at 303. 15 K

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

    Sharma, S.; Pandya, G.; Chakrabarti, T.

    1994-10-01

    2, 3-Butanediol, an important industrial chemical, is of interest because of its application as a solvent and liquid fuel additive. Liquid-liquid equilibria at 303.15 [+-] 0.5 K were measured for water + 2, 3-butanediol + butan-1-ol, + 3-methyl-1-butanol, + 4-methyl-2-pentanone, + tributyl phosphate, and + butyl acetate. Complete phase diagrams were obtained by evaluating the solubility and tie-line results for each ternary mixture. The consistency of the tie-line results was ascertained using an Othmer-Tobias plot. The distribution coefficient and separation factors were evaluated over the immiscibility region. Among the solvents studied, butan-1-ol is the most effective one though tributyl phosphatemore » and 3-methyl-1-butanol may be preferred because of their low solubility and high selectivity.« less

  4. Experimental Observation of Bulk Liquid Water Structure in ``No Man's Land''

    NASA Astrophysics Data System (ADS)

    Sellberg, Jonas; McQueen, Trevor; Huang, Congcong; Loh, Duane; Laksmono, Hartawan; Sierra, Raymond; Hampton, Christina; Starodub, Dmitri; Deponte, Daniel; Martin, Andrew; Barty, Anton; Wikfeldt, Thor; Schlesinger, Daniel; Pettersson, Lars; Beye, Martin; Nordlund, Dennis; Weiss, Thomas; Feldkamp, Jan; Caronna, Chiara; Seibert, Marvin; Messerschmidt, Marc; Williams, Garth; Boutet, Sebastien; Bogan, Michael; Nilsson, Anders

    2013-03-01

    Experiments on pure bulk water below about 235 K have so far been difficult: water crystallization occurs very rapidly below the homogeneous nucleation temperature of 232 K and above 160 K, leading to a ``no man's land'' devoid of experimental results regarding the structure. Here, we demonstrate a new, general experimental approach to study the structure of liquid states at supercooled conditions below their limit of homogeneous nucleation. We use femtosecond x-ray pulses generated by the LCLS x-ray laser to probe evaporatively cooled droplets of supercooled bulk water and find experimental evidence for the existence of metastable bulk liquid water down to temperatures of 223 K in the previously largely unexplored ``no man's land''. We acknoweledge NSF (CHE-0809324), Office of Basic Energy Sciences, and the Swedish Research Council for financial support.

  5. Molecular dynamics simulation of nonlinear spectroscopies of intermolecular motions in liquid water.

    PubMed

    Yagasaki, Takuma; Saito, Shinji

    2009-09-15

    Water is the most extensively studied of liquids because of both its ubiquity and its anomalous thermodynamic and dynamic properties. The properties of water are dominated by hydrogen bonds and hydrogen bond network rearrangements. Fundamental information on the dynamics of liquid water has been provided by linear infrared (IR), Raman, and neutron-scattering experiments; molecular dynamics simulations have also provided insights. Recently developed higher-order nonlinear spectroscopies open new windows into the study of the hydrogen bond dynamics of liquid water. For example, the vibrational lifetimes of stretches and a bend, intramolecular features of water dynamics, can be accurately measured and are found to be on the femtosecond time scale at room temperature. Higher-order nonlinear spectroscopy is expressed by a multitime correlation function, whereas traditional linear spectroscopy is given by a one-time correlation function. Thus, nonlinear spectroscopy yields more detailed information on the dynamics of condensed media than linear spectroscopy. In this Account, we describe the theoretical background and methods for calculating higher order nonlinear spectroscopy; equilibrium and nonequilibrium molecular dynamics simulations, and a combination of both, are used. We also present the intermolecular dynamics of liquid water revealed by fifth-order two-dimensional (2D) Raman spectroscopy and third-order IR spectroscopy. 2D Raman spectroscopy is sensitive to couplings between modes; the calculated 2D Raman signal of liquid water shows large anharmonicity in the translational motion and strong coupling between the translational and librational motions. Third-order IR spectroscopy makes it possible to examine the time-dependent couplings. The 2D IR spectra and three-pulse photon echo peak shift show the fast frequency modulation of the librational motion. A significant effect of the translational motion on the fast frequency modulation of the librational motion is

  6. 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.

  7. Rapid pretreatment and determination of bisphenol A in water samples based on vortex-assisted liquid-liquid microextraction followed by high-performance liquid chromatography with fluorescence detection.

    PubMed

    Yang, Xiao; Diao, Chun-Peng; Sun, Ai-Ling; Liu, Ren-Min

    2014-10-01

    A method for the rapid pretreatment and determination of bisphenol A in water samples based on vortex-assisted liquid-liquid microextraction followed by high-performance liquid chromatography with fluorescence detection was proposed in this paper. A simple apparatus consisting of a test tube and a cut-glass dropper was designed and applied to collect the floating extraction drop in liquid-liquid microextraction when low-density organic solvent was used as the extraction solvent. Solidification and melting steps that were tedious but necessary once the low-density organic solvent used as extraction solvent could be avoided by using this apparatus. Bisphenol A was selected as model pollutant and vortex-assisted liquid-liquid microextraction was employed to investigate the usefulness of the apparatus. High-performance liquid chromatography with fluorescence detection was selected as the analytical tool for the detection of bisphenol A. The linear dynamic range was from 0.10 to 100 μg/L for bisphenol A, with good squared regression coefficient (r(2) = 0.9990). The relative standard deviation (n = 7) was 4.7% and the limit of detection was 0.02 μg/L. The proposed method had been applied to the determination of bisphenol A in natural water samples and was shown to be economical, fast, and convenient. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Asetek's Warm-Water Liquid Cooling System Yields Energy Cost Savings at

    Science.gov Websites

    NREL | Energy Systems Integration Facility | NREL Asetek Asetek's Warm-Water Liquid Cooling System Yields Energy Cost Savings at NREL Asetek's RackCDU liquid cooling system was installed and tested at the Energy Systems Integration Facility's (ESIF's) ultra-energy-efficient high-performance

  9. 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

  10. 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. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. Application of dispersion-solidification liquid-liquid microextraction for the determination of triazole fungicides in environmental water samples by high-performance liquid chromatography.

    PubMed

    Wang, Chun; Wu, Qiuhua; Wu, Chunxia; Wang, Zhi

    2011-01-15

    A simple, rapid and environmentally friendly method has been developed for the determination of four triazole fungicides (myclobutanil, tebuconazole, triadimenol, hexaconazole) in water samples by dispersion-solidification liquid-liquid microextraction coupled with high performance liquid chromatography-diode array detection. Several variables that affect the extraction efficiencies, including the type and volume of the extraction solvent and dispersive solvent, extraction time, effect of pH and salt addition, were investigated and optimized. Under the optimum conditions, the proposed method is sensitive and shows a good linearity within a range of 0.5-200 ng mL(-1), with the correlation coefficients (r) varying from 0.9992 to 0.9998. High enrichment factors were achieved ranging from 190 to 450. The recoveries of the target analytes from water samples at spiking levels of 1.0, 5.0 and 50.0 ng mL(-1) were between 84.8% and 110.2%. The limits of detection (LODs) for the analytes were ranged in 0.06-0.1 ng mL(-1), and the relative standard deviations (RSD) varied from 3.9% to 5.7%. The proposed method has been successfully applied for the determination of the triazole fungicides in real water samples. Copyright © 2010 Elsevier B.V. All rights reserved.

  12. Plasma Discharges in Gas Bubbles in Liquid Water: Breakdown Mechanisms and Resultant Chemistry

    NASA Astrophysics Data System (ADS)

    Gucker, Sarah M. N.

    The use of atmospheric pressure plasmas in gases and liquids for purification of liquids has been investigated by numerous researchers, and is highly attractive due to their strong potential as a disinfectant and sterilizer. However, the fundamental understanding of plasma production in liquid water is still limited. Despite the decades of study dedicated to electrical discharges in liquids, many physical aspects of liquids, such as the high inhomogeneity of liquids, complicate analyses. For example, the complex nonlinearities of the fluid have intricate effects on the electric field of the propagating streamer. Additionally, the liquid material itself can vaporize, leading to discontinuous liquid-vapor boundaries. Both can and do often lead to notable hydrodynamic effects. The chemistry of these high voltage discharges on liquid media can have circular effects, with the produced species having influence on future discharges. Two notable examples include an increase in liquid conductivity via charged species production, which affects the discharge. A second, more complicated scenario seen in some liquids (such as water) is the doubling or tripling of molecular density for a few molecule layers around a high voltage electrode. These complexities require technological advancements in optical diagnostics that have only recently come into being. This dissertation investigates several aspects of electrical discharges in gas bubbles in liquids. Two primary experimental configurations are investigated: the first allows for single bubble analysis through the use of an acoustic trap. Electrodes may be brought in around the bubble to allow for plasma formation without physically touching the bubble. The second experiment investigates the resulting liquid phase chemistry that is driven by the discharge. This is done through a dielectric barrier discharge with a central high voltage surrounded by a quartz discharge tube with a coil ground electrode on the outside. The plasma

  13. Cooperation and Environment Characterize the Low-Lying Optical Spectrum of Liquid Water.

    PubMed

    P, Sudheer Kumar; Genova, Alessandro; Pavanello, Michele

    2017-10-19

    The optical spectrum of liquid water is analyzed by subsystem time-dependent density functional theory. We provide simple explanations for several important (and so far elusive) features. Due to the disordered environment surrounding each water molecule, the joint density of states of the liquid is much broader than that of the vapor, thus explaining the red-shifted Urbach tail of the liquid compared to the gas phase. Confinement effects provided by the first solvation shell are responsible for the blue shift of the first absorption peak compared to the vapor. In addition, we also characterize many-body excitonic effects. These dramatically affect the spectral weights at low frequencies, contributing to the refractive index by a small but significant amount.

  14. Water Table Depth Reconstruction in Ombrotrophic Peatlands Using Biomarker Abundance Ratios and Compound-Specific Hydrogen Isotope Composition

    NASA Astrophysics Data System (ADS)

    Nichols, J. E.; Jackson, S. T.; Booth, R. K.; Pendall, E. G.; Huang, Y.

    2005-12-01

    Sediment cores from ombrotrophic peat bogs provide sensitive records of changes in precipitation/evaporation (P/E) balance. Various proxies have been developed to reconstruct surface moisture conditions in peat bogs, including testate amoebae, plant macrofossils, and peat humification. Studying species composition of testate amoeba assemblages is time consuming and requires specialized training. Humification index can be influenced by environmental factors other than moisture balance. The plant macrofossil proxy is less quantitative and cannot be performed on highly decomposed samples. We demonstrate that the ratio of C23 alkane to C29 alkane abundance may provide a simple alternative or complementary means of tracking peatland water-table depth. Data for this proxy can be collected quickly using a small sample (100 mg dry). Water-table depth decreases during drought, and abundance of Sphagnum, the dominant peat-forming genus, decreases as vascular plants increase. Sphagnum moss produces mainly medium chain-length alkanes (C21-C25) while vascular plants (grasses and shrubs) produce primarily longer chain-length alkanes (C27-C31). Therefore, C23:C29 n-alkane ratios quantitatively track the water table depth fluctuations in peat bogs. We compared C23:C29 n-alkane ratios in a core from Minden Bog (southeastern Michigan) with water table depth reconstructions based on testate-amoeba assemblages and humification. The 184-cm core spans the past ~3kyr of continuous peat deposition in the bog. Our results indicate that the alkane ratios closely track the water table depth variations, with C29 most abundant during droughts. We also explored the use of D/H ratios in Sphagnum biomarkers as a water-table depth proxy. Compound-specific hydrogen isotope ratio analyses were performed on Sphagnum biomarkers: C23 and C25 alkane and C24 acid. Dry periods are represented in these records by an enrichment of deuterium in these Sphagnum-specific compounds. These events also correlate

  15. Interactions between soil texture, water, and nutrients control patterns of biocrusts abundance and structure

    NASA Astrophysics Data System (ADS)

    Young, Kristina; Bowker, Matthew; Reed, Sasha; Howell, Armin

    2017-04-01

    Heterogeneity in the abiotic environment structures biotic communities by controlling niche space and parameters. This has been widely observed and demonstrated in vascular plant and other aboveground communities. While soil organisms are presumably also strongly influenced by the physical and chemical dimensions of the edaphic environment, there are fewer studies linking the development, structure, productivity or function of surface soil communities to specific edaphic gradients. Here, we use biological soil crusts (biocrusts) as a model system to determine mechanisms regulating community structure of soil organisms. We chose soil texture to serve as an edaphic gradient because of soil texture's influence over biocrust distribution on a landscape level. We experimentally manipulated texture in constructed soil, and simultaneously manipulated two main outcomes of texture, water and nutrient availability, to determine the mechanism underlying texture's influence on biocrust abundance and structure. We grew biocrust communities from a field-sourced inoculum on four different soil textures, sieved from the same parent soil material, manipulating watering levels and nutrient additions across soil textures in a full-factorial design over a 5-month period of time. We measured abundance and structure of biocrusts over time, and measured two metrics of function, N2 fixation rates and soil stabilization, at the conclusion of the experiment. Our results showed finer soil textures resulted in faster biocrust community development and dominance by mosses, whereas coarser textures grew more slowly and had biocrust communities dominated by cyanobacteria and lichen. Additionally, coarser textured soils contained cyanobacterial filaments significantly deeper into the soil profile than fine textured soils. N2-fixation values increased with increasing moss cover and decreased with increasing cyanobacterial cover, however, the rate of change depended on soil texture and water amount

  16. 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.; hide

    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.

  17. Large-scale geographic variation in distribution and abundance of Australian deep-water kelp forests.

    PubMed

    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.

  18. 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

  19. On the existence and stability of liquid water on the surface of mars today.

    PubMed

    Kuznetz, L H; Gan, D C

    2002-01-01

    The recent discovery of high concentrations of hydrogen just below the surface of Mars' polar regions by Mars Odyssey has enlivened the debate about past or present life on Mars. The prevailing assumption prior to the discovery was that the liquid water essential for its existence is absent. That assumption was based largely on the calculation of heat and mass transfer coefficients or theoretical climate models. This research uses an experimental approach to determine the feasibility of liquid water under martian conditions, setting the stage for a more empirical approach to the question of life on Mars. Experiments were conducted in three parts: Liquid water's existence was confirmed by droplets observed under martian conditions in part 1; the evolution of frost melting on the surface of various rocks under martian conditions was observed in part 2; and the evaporation rate of water in Petri dishes under Mars-like conditions was determined and compared with the theoretical predictions of various investigators in part 3. The results led to the conclusion that liquid water can be stable for extended periods of time on the martian surface under present-day conditions.

  20. On the existence and stability of liquid water on the surface of mars today

    NASA Technical Reports Server (NTRS)

    Kuznetz, L. H.; Gan, D. C.

    2002-01-01

    The recent discovery of high concentrations of hydrogen just below the surface of Mars' polar regions by Mars Odyssey has enlivened the debate about past or present life on Mars. The prevailing assumption prior to the discovery was that the liquid water essential for its existence is absent. That assumption was based largely on the calculation of heat and mass transfer coefficients or theoretical climate models. This research uses an experimental approach to determine the feasibility of liquid water under martian conditions, setting the stage for a more empirical approach to the question of life on Mars. Experiments were conducted in three parts: Liquid water's existence was confirmed by droplets observed under martian conditions in part 1; the evolution of frost melting on the surface of various rocks under martian conditions was observed in part 2; and the evaporation rate of water in Petri dishes under Mars-like conditions was determined and compared with the theoretical predictions of various investigators in part 3. The results led to the conclusion that liquid water can be stable for extended periods of time on the martian surface under present-day conditions.

  1. Sub- and super-Maxwellian evaporation of simple gases from liquid water

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

    Kann, Z. R.; Skinner, J. L., E-mail: skinner@chem.wisc.edu

    2016-04-21

    Non-Maxwellian evaporation of light atoms and molecules (particles) such as He and H{sub 2} from liquids has been observed experimentally. In this work, we use simulations to study systematically the evaporation of Lennard-Jones particles from liquid water. We find instances of sub- and super-Maxwellian evaporation, depending on the mass of the particle and the particle-water interaction strength. The observed trends are in qualitative agreement with experiment. We interpret these trends in terms of the potential of mean force and the effectiveness and frequency of collisions during the evaporation process. The angular distribution of evaporating particles is also analyzed, and itmore » is shown that trends in the energy from velocity components tangential and normal to the liquid surface must be understood separately in order to interpret properly the angular distributions.« less

  2. Global statistics of liquid water content and effective number density of water clouds over ocean derived from combined CALIPSO and MODIS measurements

    NASA Astrophysics Data System (ADS)

    Hu, Y.; Vaughan, M.; McClain, C.; Behrenfeld, M.; Maring, H.; Anderson, D.; Sun-Mack, S.; Flittner, D.; Huang, J.; Wielicki, B.; Minnis, P.; Weimer, C.; Trepte, C.; Kuehn, R.

    2007-03-01

    This study presents an empirical relation that links layer integrated depolarization ratios, the extinction coefficients, and effective radii of water clouds, based on Monte Carlo simulations of CALIPSO lidar observations. Combined with cloud effective radius retrieved from MODIS, cloud liquid water content and effective number density of water clouds are estimated from CALIPSO lidar depolarization measurements in this study. Global statistics of the cloud liquid water content and effective number density are presented.

  3. 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. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. Production of dimethylfuran for liquid fuels from biomass-derived carbohydrates.

    PubMed

    Román-Leshkov, Yuriy; Barrett, Christopher J; Liu, Zhen Y; Dumesic, James A

    2007-06-21

    Diminishing fossil fuel reserves and growing concerns about global warming indicate that sustainable sources of energy are needed in the near future. For fuels to be useful in the transportation sector, they must have specific physical properties that allow for efficient distribution, storage and combustion; these properties are currently fulfilled by non-renewable petroleum-derived liquid fuels. Ethanol, the only renewable liquid fuel currently produced in large quantities, suffers from several limitations, including low energy density, high volatility, and contamination by the absorption of water from the atmosphere. Here we present a catalytic strategy for the production of 2,5-dimethylfuran from fructose (a carbohydrate obtained directly from biomass or by the isomerization of glucose) for use as a liquid transportation fuel. Compared to ethanol, 2,5-dimethylfuran has a higher energy density (by 40 per cent), a higher boiling point (by 20 K), and is not soluble in water. This catalytic strategy creates a route for transforming abundant renewable biomass resources into a liquid fuel suitable for the transportation sector, and may diminish our reliance on petroleum.

  5. A review of the structure and dynamics of nanoconfined water and ionic liquids via molecular dynamics simulation.

    PubMed

    Foroutan, Masumeh; Fatemi, S Mahmood; Esmaeilian, Farshad

    2017-02-01

    During the past decade, the research on fluids in nanoconfined geometries has received considerable attention as a consequence of their wide applications in different fields. Several nanoconfined systems such as water and ionic liquids, together with an equally impressive array of nanoconfining media such as carbon nanotube, graphene and graphene oxide have received increasingly growing interest in the past years. Water is the first system that has been reviewed in this article, due to its important role in transport phenomena in environmental sciences. Water is often considered as a highly nanoconfined system, due to its reduction to a few layers of water molecules between the extended surface of large macromolecules. The second system discussed here is ionic liquids, which have been widely studied in the modern green chemistry movement. Considering the great importance of ionic liquids in industry, and also their oil/water counterpart, nanoconfined ionic liquid system has become an important area of research with many fascinating applications. Furthermore, the method of molecular dynamics simulation is one of the major tools in the theoretical study of water and ionic liquids in nanoconfinement, which increasingly has been joined with experimental procedures. In this way, the choice of water and ionic liquids in nanoconfinement is justified by applying molecular dynamics simulation approaches in this review article.

  6. Seeing real-space dynamics of liquid water through inelastic x-ray scattering

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

    Iwashita, Takuya; Wu, Bin; Chen, Wei-Ren

    Water is ubiquitous on earth, but we know little about the real-space motion of molecules in liquid water. We demonstrate that high-resolution inelastic x-ray scattering measurement over a wide range of momentum and energy transfer makes it possible to probe real-space, real-time dynamics of water molecules through the so-called Van Hove function. Water molecules are found to be strongly correlated in space and time with coupling between the first and second nearest-neighbor molecules. The local dynamic correlation of molecules observed here is crucial to a fundamental understanding of the origin of the physical properties of water, including viscosity. The resultsmore » also suggest that the quantum-mechanical nature of hydrogen bonds could influence its dynamics. Finally, the approach used here offers a powerful experimental method for investigating real-space dynamics of liquids.« less

  7. Seeing real-space dynamics of liquid water through inelastic x-ray scattering

    DOE PAGES

    Iwashita, Takuya; Wu, Bin; Chen, Wei-Ren; ...

    2017-12-22

    Water is ubiquitous on earth, but we know little about the real-space motion of molecules in liquid water. We demonstrate that high-resolution inelastic x-ray scattering measurement over a wide range of momentum and energy transfer makes it possible to probe real-space, real-time dynamics of water molecules through the so-called Van Hove function. Water molecules are found to be strongly correlated in space and time with coupling between the first and second nearest-neighbor molecules. The local dynamic correlation of molecules observed here is crucial to a fundamental understanding of the origin of the physical properties of water, including viscosity. The resultsmore » also suggest that the quantum-mechanical nature of hydrogen bonds could influence its dynamics. Finally, the approach used here offers a powerful experimental method for investigating real-space dynamics of liquids.« less

  8. Seeing real-space dynamics of liquid water through inelastic x-ray scattering.

    PubMed

    Iwashita, Takuya; Wu, Bin; Chen, Wei-Ren; Tsutsui, Satoshi; Baron, Alfred Q R; Egami, Takeshi

    2017-12-01

    Water is ubiquitous on earth, but we know little about the real-space motion of molecules in liquid water. We demonstrate that high-resolution inelastic x-ray scattering measurement over a wide range of momentum and energy transfer makes it possible to probe real-space, real-time dynamics of water molecules through the so-called Van Hove function. Water molecules are found to be strongly correlated in space and time with coupling between the first and second nearest-neighbor molecules. The local dynamic correlation of molecules observed here is crucial to a fundamental understanding of the origin of the physical properties of water, including viscosity. The results also suggest that the quantum-mechanical nature of hydrogen bonds could influence its dynamics. The approach used here offers a powerful experimental method for investigating real-space dynamics of liquids.

  9. 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.

  10. Assessing the relationship between the abundance and properties of microplastics in water and in mussels.

    PubMed

    Qu, Xiaoyun; Su, Lei; Li, Hengxiang; Liang, Mingzhong; Shi, Huahong

    2018-04-15

    Microplastic pollution is increasingly becoming a great environmental concern worldwide. Microplastics have been found in many marine organisms as a result of increasing plastic pollution within marine environments. However, the relationship between micoplastics in organisms and their living environment is still relatively poorly understood. In the present study, we investigated microplastic pollution in the water and the mussels (Mytilus edulis, Perna viridis) at 25 sites along the coastal waters of China. We also, for the first time, conducted an exposure experiment in parallel on the same site using M. edulis in the laboratory. A strong positive linear relationship was found between microplastic levels in the water and in the mussels. Fibers were the dominant microplastics. The sizes of microplastics in the mussels were smaller than those in the water. During exposure experiments, the abundance of microbeads was significantly higher than that of fibers, even though the nominal abundance of fibers was eight times that of microbeads. In general, our results supported positive and quantitative correlations of microplastics in mussels and in their surrounding waters and that mussels were more likely to ingest smaller microplastics. Laboratory exposure experiment is a good way to understand the relative impacts of microplastics ingested by marine organisms. However, significant differences in the results between exposure experiments and field investigations indicated that further efforts are needed to simulate the diverse environmentally relevant properties of microplastics. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. In-situ ionic liquid dispersive liquid-liquid microextraction using a new anion-exchange reagent combined Fe3O4 magnetic nanoparticles for determination of pyrethroid pesticides in water samples.

    PubMed

    Fan, Chen; Liang, You; Dong, Hongqiang; Ding, Guanglong; Zhang, Wenbing; Tang, Gang; Yang, Jiale; Kong, Dandan; Wang, Deng; Cao, Yongsong

    2017-07-04

    In this work, in-situ ionic liquid dispersive liquid-liquid microextraction combined ultrasmall Fe 3 O 4 magnetic nanoparticles was developed as a kind of pretreatment method to detect pyrethroid pesticides in water samples. New anion-exchange reagents including Na[DDTC] and Na[N(CN) 2 ] were optimized for in-situ extraction pyrethroids, which showed enhanced microextraction performance. Pyrethroids were enriched by hydrophilic ionic liquid [P 4448 ][Br] (aqueous solution, 200 μL, 0.2 mmol mL -1 ) reaction in-situ with anion-exchange reagent Na[N(CN) 2 ] (aqueous solution, 300 μL, 0.2 mmol mL -1 ) forming hydrophobic ionic liquid as extraction agent in water sample (10 mL). Ultrasmall superparamagnetic iron oxide nanoparticles (30 mg) were used to collect the mixture of ionic liquid and pyrethroids followed by elution with acetonitrile. The extraction of ionic liquid strategies was unique and efficiently fulfilled with high enrichment factors (176-213) and good recoveries (80.20-117.31%). The method was successively applied to the determination of pyrethroid pesticides in different kinds of water samples with the limits of detection ranged from 0.16 to 0.21 μg L -1 . The proposed method is actually nanometer-level microextraction (average size 80 nm) with the advantages of simplicity, rapidity, and sensitivity. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. 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. Copyright © 2015 Elsevier Inc. All rights reserved.

  13. 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. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. 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

  15. Use of textile waste water along with liquid NPK fertilizer for production of wheat on saline sodic soils.

    PubMed

    Yaseen, Muhammad; Aziz, Muhammad Zahir; Jafar, Abdul Aleem; Naveed, Muhammad; Saleem, Muhammad

    2016-01-01

    A field experiment in collaboration with a private textile industry (Noor Fatima Fabrics Private (Ltd.), Faisalabad) was conducted to evaluate the effect of disposed water from bleaching unit, printing unit and end drain for improving growth and yield of wheat under saline sodic soil. Textile waste water along with canal water (control) was applied with and without liquid NPK fertilizer. The application of liquid NPK fertilizer with end drain waste water increased plant height, spike length, flag leaf length, root length, number of tillers (m(-2)), number of fertile tillers (m(-2)), 1000 grain weight, grain yield, straw yield and biological yield up to 21, 20, 20, 44, 17, 20, 14, 44, 40 and 41%, respectively compared to canal water (control). Similarly, the NPK uptake in grain was increased up to 15, 30 and 28%, respectively by liquid fertilizer treated end drain water as compare to canal water with liquid fertilizer. Moreover, concentration of different heavy metals particularly Cu, Cr, Pb and Cd was decreased in grains by application of waste water along with liquid NPK. The result may imply that waste water application along with liquid-NPK could be a novel approach for improving growth and yield of wheat in saline sodic soils.

  16. 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

  17. Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium.

    PubMed

    Dhabal, Debdas; Chakravarty, Charusita; Molinero, Valeria; Kashyap, Hemant K

    2016-12-07

    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

  18. 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, BMImTf 2 N and BMImPF 6 , in the presence of water. Although a Si thin film has been obtained from BMImTf 2 N; only distinguished Si crystals protected in ionic liquid droplets have been observed from BMImPF 6 . The most important observation of the present investigation is that the Si precursor, SiCl 4 , instead of undergoing hydrolysis, even in the presence of water, coexisted with ionic liquids, and elemental Si has been successfully electrodeposited.

  19. Kinetics of proton migration in liquid water.

    PubMed

    Chen, Hanning; Voth, Gregory A; Agmon, Noam

    2010-01-14

    We have utilized multistate empirical valence bond (MS-EVB3) simulations of protonated liquid water to calculate the relative mean-square displacement (MSD) and the history-independent time correlation function, c(t), of the hydrated proton center of excess charge (CEC) with respect to the water molecule on which it has initially resided. The MSD is nonlinear for the first 15 ps, suggesting that the relative diffusion coefficient increases from a small value, D(0), at short separations to its larger bulk value, D(infinity), at large separations. With the ensuing distance-dependent diffusion coefficient, D(r), the time dependence of both the MSD and c(t) agrees quantitatively with the solution of a diffusion equation for reversible geminate recombination. This suggests that the relative motion of the CEC is not independent from the nearby water molecules, in agreement with theoretical and experimental observations that large water clusters participate in the mechanism of proton mobility.

  20. Determinations of cloud liquid water in the tropics from the SSM/I

    NASA Technical Reports Server (NTRS)

    Alishouse, John C.; Swift, Calvin; Ruf, Christopher; Snyder, Sheila; Vongsathorn, Jennifer

    1989-01-01

    Upward-looking microwave radiometric observations were used to validate the SSM/I determinations, and also as a basis for the determination of new coefficients. Due to insufficiency of the initial four channel algorithm for cloud liquid water, the improved algorithm was derived from the CORRAD (the University of Massachusetts autocorrelation radiometer) measurements of cloud liquid water and the matching SSM/I brightness temperatures using the standard linear regression. The correlation coefficients for the possible four channel combinations, and subsequently the best and the worst combinations were determined.

  1. Stripping of acetone from water with microfabricated and membrane gas-liquid contactors.

    PubMed

    Constantinou, Achilleas; Ghiotto, Francesco; Lam, Koon Fung; Gavriilidis, Asterios

    2014-01-07

    Stripping of acetone from water utilizing nitrogen as a sweeping gas in co-current flow was conducted in a microfabricated glass/silicon gas-liquid contactor. The chip consisted of a microchannel divided into a gas and a liquid chamber by 10 μm diameter micropillars located next to one of the channel walls. The channel length was 35 mm, the channel width was 220 μm and the microchannel depth 100 μm. The micropillars were wetted by the water/acetone solution and formed a 15 μm liquid film between them and the nearest channel wall, leaving a 195 μm gap for gas flow. In addition, acetone stripping was performed in a microchannel membrane contactor, utilizing a hydrophobic PTFE membrane placed between two microstructured acrylic plates. Microchannels for gas and liquid flows were machined in the plates and had a depth of 850 μm and 200 μm respectively. In both contactors the gas/liquid interface was stabilized: in the glass/silicon contactor by the hydrophilic micropillars, while in the PTFE/acrylic one by the hydrophobic membrane. For both contactors separation efficiency was found to increase by increasing the gas/liquid flow rate ratio, but was not affected when increasing the inlet acetone concentration. Separation was more efficient in the microfabricated contactor due to the very thin liquid layer employed.

  2. 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

  3. Onset of ice VII phase during ps laser pulse propagation through liquid water

    NASA Astrophysics Data System (ADS)

    Kumar, V. Rakesh; Kiran, P. Prem

    2017-01-01

    Water dominantly present in liquid state on earth gets transformed to crystalline polymorphs under different dynamic loading conditions. Out of different crystalline phases discovered till date, ice VII is observed to be stable over wide pressure (2-63 GPa) and temperature (>273 K) ranges. The formation of ice VII crystalline structure has been vastly reported during high pressure static compression using diamond anvil cell and propagation of high energy (>50 mJ/pulse) nanosecond laser pulse induced dynamic high pressures through liquid water. We present the onset of ice VII phase at low threshold of 2 mJ/pulse during 30 ps (532 nm, 10 Hz) laser pulse induced shock propagating through liquid water. Role of input pulse energy on the evolution of Stoke's and anti-Stoke's Raman shift of the dominant A1g mode of ice VII, filamentation, free-electrons, plasma shielding is presented. The H-bond network rearrangement, electron ion energy transfer time coinciding with the excitation pulse duration supported by the filamentation and plasma shielding of the ps laser pulses reduced the threshold of ice VII structure formation. Filamentation and the plasma shielding have shown the localized creation and sustenance of ice VII structure in liquid water over 3 mm length and 50 μm area of cross-section.

  4. ESR evidence for 2 coexisting liquid phases in deeply supercooled bulk water

    PubMed Central

    Banerjee, D.; Bhat, S. N.; Bhat, S. V.; Leporini, D.

    2009-01-01

    Using electron spin resonance spectroscopy (ESR), we measure the rotational mobility of probe molecules highly diluted in deeply supercooled bulk water and negligibly constrained by the possible ice fraction. The mobility increases above the putative glass transition temperature of water, Tg = 136 K, and smoothly connects to the thermodynamically stable region by traversing the so called “no man's land” (the range 150–235 K), where it is believed that the homogeneous nucleation of ice suppresses the liquid water. Two coexisting fractions of the probe molecules are evidenced. The 2 fractions exhibit different mobility and fragility; the slower one is thermally activated (low fragility) and is larger at low temperatures below a fragile-to-strong dynamic cross-over at ≈225 K. The reorientation of the probe molecules decouples from the viscosity below ≈225 K. The translational diffusion of water exhibits a corresponding decoupling at the same temperature [Chen S-H, et al. (2006) The violation of the Stokes–Einstein relation in supercooled water. Proc Natl Acad Sci USA 103:12974–12978]. The present findings are consistent with key issues concerning both the statics and the dynamics of supercooled water, namely the large structural fluctuations [Poole PH, Sciortino F, Essmann U, Stanley HE (1992) Phase behavior of metastable water. Nature 360:324–328] and the fragile-to-strong dynamic cross-over at ≈228 K [Ito K, Moynihan CT, Angell CA (1999) Thermodynamic determination of fragility in liquids and a fragile-to-strong liquid transition in water. Nature 398:492–494]. PMID:19556546

  5. Interaction of a sodium ion with the water liquid-vapor interface

    NASA Technical Reports Server (NTRS)

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

    1989-01-01

    Molecular dynamics results are presented for the density profile of a sodium ion near the water liquid-vapor interface at 320 K. These results are compared with the predictions of a simple dielectric model for the interaction of a monovalent ion with this interface. The interfacial region described by the model profile is too narrow and the profile decreases too abruptly near the solution interface. Thus, the simple model does not provide a satisfactory description of the molecular dynamics results for ion positions within two molecular diameters from the solution interface where appreciable ion concentrations are observed. These results suggest that surfaces associated with dielectric models of ionic processes at aqueous solution interfaces should be located at least two molecular diameters inside the liquid phase. A free energy expense of about 2 kcal/mol is required to move the ion within two molecular layers of the free water liquid-vapor interface.

  6. Theory for an order-driven disruption of the liquid state in water.

    PubMed

    England, Jeremy L; Park, Sanghyun; Pande, Vijay S

    2008-01-28

    Water is known to exhibit a number of peculiar physical properties because of the strong orientational dependence of the intermolecular hydrogen bonding interactions that dominate its liquid state. Recent full-atom simulations of water in a nanolayer between graphite plates submersed in an aqueous medium have raised the possibility of a new addition to this list of peculiarities: they show that application of a strong, uniform electric field normal to and between the plates can cause a pronounced decrease in particle density, rather than the increase expected from electrostriction theory for polarizable fluids [Vaitheeswaran et al., J. Phys. Chem. B 70, 6629 (2005)]. However, in seeming contradiction to this result, another study that simulated a range of similar systems has reported a less surprising electrostrictive increase in particle density upon application of the field [Bratko et al., J. Am. Chem. Soc. 129, 2504 (2007)]. In this work, we attempt to reconcile these conflicting simulation phenomena using a statistical mechanical lattice liquid model of water in an applied field. By solving the model using mean-field theory, we show that a field-induced transition to a markedly lower-density phase such as that observed in recent simulations is possible within a certain parameter regime, but that outside of this regime, the more conventional electrostrictive result should be obtained. Upon modifying the model to treat the case of bulk water under constant pressure in an applied field, we predict a density drop with rising field, and subsequently observe the predicted behavior in our own molecular dynamics simulations of liquid water. Our findings lead us to propose that the model considered here may be useful in a variety of contexts for describing the trade-off between orientational ordering of water molecules and their participation in the liquid phase.

  7. 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.

  8. [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.

  9. In situ liquid water visualization in polymer electrolyte membrane fuel cells with high resolution synchrotron x-ray radiography

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

    Chevalier, S.; Banerjee, R.; Lee, J.

    In this work, we investigated the dominating properties of the porous materials that impact water dynamics in a polymer electrolyte membrane fuel cell (PEMFC). Visualizations of liquid water in an operating PEMFC were performed at the Canadian Light Source. A miniature fuel cell was specifically designed for X-ray imaging investigations, and an in-house image processing algorithm based on the Beer-Lambert law was developed to extract quantities of liquid water thicknesses (cm) from raw X-ray radiographs. The X-ray attenuation coefficient of water at 24 keV was measured with a calibration device to ensure accurate measurements of the liquid water thicknesses. Frommore » this experiment, the through plane distribution of the liquid water in the fuel cell was obtained.« less

  10. Stability limit of liquid water in metastable equilibrium with subsaturated vapors.

    PubMed

    Wheeler, Tobias D; Stroock, Abraham D

    2009-07-07

    A pure liquid can reach metastable equilibrium with its subsaturated vapor across an appropriate membrane. This situation is analogous to osmotic equilibrium: the reduced chemical potential of the dilute phase (the subsaturated vapor) is compensated by a difference in pressure between the phases. To equilibrate with subsaturated vapor, the liquid phase assumes a pressure that is lower than its standard vapor pressure, such that the liquid phase is metastable with respect to the vapor phase. For sufficiently subsaturated vapors, the liquid phase can even assume negative pressures. The appropriate membrane for this metastable equilibrium must provide the necessary mechanical support to sustain the difference in pressure between the two phases, limit nonhomogeneous mechanisms of cavitation, and resist the entry of the dilutant (gases) into the pure phase (liquid). In this article, we present a study of the limit of stability of liquid water--the degree of subsaturation at which the liquid cavitates--in this metastable state within microscale voids embedded in hydrogel membranes. We refer to these structures as vapor-coupled voids (VCVs). In these VCVs, we observed that liquid water cavitated when placed in equilibrium with vapors of activity aw,vapairliquid based on thermodynamic calculations, the liquid cavitated at pressures P

  11. 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.

  12. Hollow fiber supported ionic liquid membrane microextraction for determination of sulfonamides in environmental water samples by high-performance liquid chromatography.

    PubMed

    Tao, Yong; Liu, Jing-Fu; Hu, Xia-Lin; Li, Hong-Cheng; Wang, Thanh; Jiang, Gui-Bin

    2009-08-28

    By using ionic liquid as membrane liquid and tri-n-octylphosphine oxide (TOPO) as additive, hollow fiber supported liquid phase microextraction (HF-LPME) was developed for the determination of five sulfonamides in environmental water samples by high-performance liquid chromatography with ultraviolet detection The extraction solvent and the parameters affecting the extraction enrichment factor such as the type and amount of carrier, pH and volume ratio of donor phase and acceptor phase, extraction time, salt-out effect and matrix effect were optimized. Under the optimal extraction conditions (organic liquid membrane phase: [C(8)MIM][PF(6)] with 14% TOPO (w/v); donor phase: 4mL, pH 4.5 KH(2)PO(4) with 2M Na(2)SO(4); acceptor phase: 25microL, pH 13 NaOH; extraction time: 8 h), low detection limits (0.1-0.4microg/L, RSDor=0.999) were obtained for all the analytes. The presence of humic acid (0-25mg/L dissolved organic carbon) and bovine serum albumin (0-100microg/mL) had no significant effect on the extraction efficiency. Good spike recoveries over the range of 82.2-103.2% were obtained when applying the proposed method on five real environmental water samples. These results indicated that this present method was very sensitive and reliable with good repeatabilities and excellent clean-up in water samples. The proposed method confirmed hollow fiber supported ionic liquid membrane based LPME to be robust to monitoring trace levels of sulfadiazine, sulfamerazine, sulfamethazine, sulfadimethoxine and sulfamethoxazole in aqueous samples.

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

    NASA Astrophysics Data System (ADS)

    Locke, Bruce R.; Shih, Kai-Yuan

    2011-06-01

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

  14. Impact of sodium chloride on the expansion of a liquid-liquid miscibility gap in an API/water system. Case study of Brivaracetam.

    PubMed

    Couvrat, Nicolas; Mahieux, Julien; Fours, Baptiste; Cartigny, Yohann; Schenkel, Eric; Aerts, Luc; Quéré, Luc; Coquerel, Gérard

    2016-12-30

    Brivaracetam, or (2S)-2-[(4R)-2-oxo-4-propyl-pyrrolidin-1-yl] butanamide, is an active pharmaceutical ingredient designed for the treatment of epilepsy. During the development of the IV administration mode, a liquid-liquid miscibility gap has been observed with pure water, isotonic and hypertonic solutions (vehicle at 0.9% w/w and 5%w/w NaCl respectively). The study reveals that the NaCl concentration has a direct impact on the extent of the demixing domain; from a sub-micronic demixing in pure water towards a macroscopic miscibility gap in hypertonic aqueous solutions. The thorough exploration of these heterogeneous equilibria led to define experimental parameters for safe IV injections without risk of liquid - liquid miscibility gap at 37°C. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. Granular flows at recurring slope lineae on Mars indicate a limited role for liquid water

    NASA Astrophysics Data System (ADS)

    Dundas, Colin M.; McEwen, Alfred S.; Chojnacki, Matthew; Milazzo, Moses P.; Byrne, Shane; McElwaine, Jim N.; Urso, Anna

    2017-12-01

    Recent liquid water flow on Mars has been proposed based on geomorphological features, such as gullies. Recurring slope lineae — seasonal flows that are darker than their surroundings — are candidate locations for seeping liquid water on Mars today, but their formation mechanism remains unclear. Topographical analysis shows that the terminal slopes of recurring slope lineae match the stopping angle for granular flows of cohesionless sand in active Martian aeolian dunes. In Eos Chasma, linea lengths vary widely and are longer where there are more extensive angle-of-repose slopes, inconsistent with models for water sources. These observations suggest that recurring slope lineae are granular flows. The preference for warm seasons and the detection of hydrated salts are consistent with some role for water in their initiation. However, liquid water volumes may be small or zero, alleviating planetary protection concerns about habitable environments.

  16. Granular flows at recurring slope lineae on Mars indicate a limited role for liquid water

    USGS Publications Warehouse

    Dundas, Colin M.; McEwen, Alfred S.; Chojnacki, Matthew; Milazzo, Moses; Byrne, Shane; McElwaine, Jim; Urso, Anna

    2017-01-01

    Recent liquid water flow on Mars has been proposed based on geomorphological features, such as gullies. Recurring slope lineae — seasonal flows that are darker than their surroundings — are candidate locations for seeping liquid water on Mars today, but their formation mechanism remains unclear. Topographical analysis shows that the terminal slopes of recurring slope lineae match the stopping angle for granular flows of cohesionless sand in active Martian aeolian dunes. In Eos Chasma, linea lengths vary widely and are longer where there are more extensive angle-of-repose slopes, inconsistent with models for water sources. These observations suggest that recurring slope lineae are granular flows. The preference for warm seasons and the detection of hydrated salts are consistent with some role for water in their initiation. However, liquid water volumes may be small or zero, alleviating planetary protection concerns about habitable environments.

  17. Theoretical and experimental studies of water interaction in acetate based ionic liquids.

    PubMed

    Shi, Wei; Damodaran, Krishnan; Nulwala, Hunaid B; Luebke, David R

    2012-12-05

    Water interactions in 1-ethyl-3-methylimidazolium acetate ([emim][CH(3)COO]) were studied utilizing classical and ab initio simulation methods. The self-diffusivities for water and the ionic liquid (IL) were studied experimentally using pulse field gradient NMR spectroscopy and correlated with computational results. Water forms hydrogen bonding networks with the ionic liquid, and depending on the concentration of water, there are profound effects on the self-diffusivities of the various species. Both simulation and experiments show that the self-diffusivities for species in the water-[emim][CH(3)COO] system exhibit minima at 40-50 mol% water. Water interaction with the [CH(3)COO](-) anion predominates over the water-water and water-cation interactions at most water concentrations. Simulations further indicate that decreasing water-[CH(3)COO](-) interaction will increase the IL and water self-diffusivities. Self-diffusivities in the water-IL systems are dependent upon the cation in a complex way. Water interactions with [P(4444)][CH(3)COO] are reduced compared to [emim][CH(3)COO]. The [P(4444)](+) cation is bulkier than the [emim](+) cation and has a smaller self-diffusivity, but when water was introduced to [P(4444)] [CH(3)COO], the water-[CH(3)COO](-) hydrogen bonding network in the [P(4444)][CH(3)COO] was much smaller than the one observed in [emim][CH(3)COO].

  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. Automation of liquid-liquid extraction-spectrophotometry using prolonged pseudo-liquid drops and handheld CCD for speciation of Cr(VI) and Cr(III) in water samples.

    PubMed

    Chen, Wen; Zhong, Guanping; Zhou, Zaide; Wu, Peng; Hou, Xiandeng

    2005-10-01

    A simple spectrophotometric system, based on a prolonged pseudo-liquid drop device as an optical cell and a handheld charge coupled device (CCD) as a detector, was constructed for automatic liquid-liquid extraction and spectrophotometric speciation of trace Cr(VI) and Cr(III) in water samples. A tungsten halogen lamp was used as the light source, and a laboratory-constructed T-tube with two open ends was used to form the prolonged pseudo-liquid drop inside the tube. In the medium of perchloric acid solution, Cr(VI) reacted with 1,5-diphenylcarbazide (DPC); the formed complex was automatically extracted into n-pentanol, with a preconcentration ratio of about 5. The organic phase with extracted chromium complex was then pumped through the optical cell for absorbance measurement at 548 nm. Under optimal conditions, the calibration curve was linear in the range of 7.5 - 350 microg L(-1), with a correlation coefficient of 0.9993. The limit of detection (3sigma) was 7.5 microg L(-1). That Cr(III) species cannot react with DPC, but can be oxidized to Cr(VI) prior to determination, is the basis of the speciation analysis. The proposed speciation analysis was sensitive, yet simple, labor-effective, and cost-effective. It has been preliminarily applied for the speciation of Cr(VI) and Cr(III) in spiked river and tap water samples. It can also be used for other automatic liquid-liquid extraction-spectrophotometric determinations.

  20. 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.

  1. Alternative solvent-based methyl benzoate vortex-assisted dispersive liquid-liquid microextraction for the high-performance liquid chromatographic determination of benzimidazole fungicides in environmental water samples.

    PubMed

    Santaladchaiyakit, Yanawath; Srijaranai, Supalax

    2014-11-01

    Vortex-assisted dispersive liquid-liquid microextraction using methyl benzoate as an alternative extraction solvent for extracting and preconcentrating three benzimidazole fungicides (i.e., carbendazim, thiabendazole, and fluberidazole) in environmental water samples before high-performance liquid chromatographic analysis has been developed. The selected microextraction conditions were 250 μL of methyl benzoate containing 300 μL of ethanol, 1.0% w/v sodium acetate, and vortex agitation speed of 2100 rpm for 30 s. Under optimum conditions, preconcentration factors were 14.5-39.0 for the target fungicides. Limits of detection were obtained in the range of 0.01-0.05 μg/L. The proposed method was then applied to surface water samples and the recovery evaluations at three spiked concentration levels of 5, 30, and 50 μg/L were obtained in the range of 77.4-110.9% with the relative standard deviation <7.4%. The present method was simple, rapid, low cost, sensitive, environmentally friendly, and suitable for the trace analysis of the studied fungicides in environmental water samples. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. 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. Copyright © 2011 Elsevier B.V. All rights reserved.

  3. Bacterial Growth in the Salty Liquid Water Ocean of Europa

    NASA Astrophysics Data System (ADS)

    Rubio, D. G.; Ramírez, S. I.

    2017-11-01

    We are interested in the adaptation strategies displayed by bacteria when exposed to laboratory-controlled conditions that represent the salinity, temperature, and available oxygen conditions of the salty liquid water ocean present on Europa.

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

    USGS Publications Warehouse

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

    2014-01-01

    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 log10E. 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.

  5. 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...

  6. 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.

  7. Aircraft millimeter-wave passive sensing of cloud liquid water and water vapor during VOCALS-REx

    DOE PAGES

    Zuidema, P.; Leon, D.; Pazmany, A.; ...

    2012-01-05

    Routine liquid water path measurements and water vapor path are valuable for process studies of the cloudy marine boundary layer and for the assessment of large-scale models. The VOCALS Regional Experiment respected this goal by including a small, inexpensive, upwardpointing millimeter-wavelength passive radiometer on the fourteen research flights of the NCAR C-130 plane, the Gband (183 GHz) Vapor Radiometer (GVR). The radiometer permitted above-cloud retrievals of the free-tropospheric water vapor path (WVP). Retrieved free-tropospheric (abovecloud) water vapor paths possessed a strong longitudinal gradient, with off-shore values of one to twomm and nearcoastal values reaching tenmm. The VOCALS-REx free troposphere wasmore » drier than that of previous years. Cloud liquid water paths (LWPs) were retrieved from the sub-cloud and cloudbase aircraft legs through a combination of the GVR, remotely-sensed cloud boundary information, and insitu thermodynamic data. The absolute (between-leg) and relative (within-leg) accuracy of the LWP retrievals at 1 Hz (≈100 m) resolution was estimated at 20 gm -2 and 3 gm -2 respectively for well-mixed conditions, and 25 gm -2 absolute uncertainty for decoupled conditions where the input WVP specification was more uncertain. Retrieved liquid water paths matched adiabatic values derived from coincident cloud thickness measurements exceedingly well. A significant contribution of the GVR dataset was the extended information on the thin clouds, with 62% (28 %) of the retrieved LWPs <100 (40) gm -2. Coastal LWPs values were lower than those offshore. For the four dedicated 20° S flights, the mean (median) coastal LWP was 67 (61) gm -2, increasing to 166 (120) gm -2 1500 km offshore. Finally, the overall LWP cloud fraction from thirteen research flights was 63 %, higher than that of adiabatic LWPs at 40 %, but lower than the lidar-determined cloud cover of 85 %, further testifying to the frequent occurrence of thin clouds.« less

  8. Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential

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

    Maerzke, Katie A.; McGrath, M. J.; Kuo, I-F W.

    2009-09-07

    Gibbs ensemble Monte Carlo simulations were carried out to investigate the properties of a frozen-electron-density (or Kim-Gordon, KG) model of water along the vapor-liquid coexistence curve. Because of its theoretical basis, such a KG model provides for seamless coupling to Kohn-Sham density functional theory for use in mixed quantum mechanics/molecular mechanics (QM/MM) implementations. The Gibbs ensemble simulations indicate rather limited transferability of such a simple KG model to other state points. Specifically, a KG model that was parameterized by Barker and Sprik to the properties of liquid water at 300 K, yields saturated vapor pressures and a critical temperature thatmore » are significantly under- and overestimated, respectively. We present a comprehensive density functional theory study to asses the accuracy of two popular exchange correlation functionals on the structure and density of liquid water at ambient conditions This work was supported by the US Department of Energy Office of Basic Energy Science Chemical Sciences Program. Battelle operates Pacific Northwest National Laboratory for the US Department of Energy.« less

  9. Brillouin-scattering study of liquid-glass transitions in ternary mixtures of water, trehalose, and an ionic liquid

    NASA Astrophysics Data System (ADS)

    Takayama, Haruki; Shibata, Tomohiko; Ishii, Takahiro; Kojima, Seiji

    2013-04-01

    Ternary mixtures of water, sugar, and ionic liquid have been studied as new candidates for bioprotectants. To clarify the elastic properties and relaxation dynamics of the supercooled liquid and glassy states at low temperatures, the liquid-glass transitions were investigated by using a micro-Brillouin-scattering technique. The refractive index was measured accurately as a function of content and temperature to determine the sound velocity and the attenuation from Brillouin frequency shift and peak width. The relaxation times of structural relaxations related to liquidglass transitions were determined as functions of temperature. The Meyer-Neldel rule was found to hold for the activation energy and the prefactor of the Arrhenius law for the relaxation time.

  10. 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.

  11. Behavior of supercooled aqueous solutions stemming from hidden liquid–liquid transition in water

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

    Biddle, John W.; Holten, Vincent; Anisimov, Mikhail A., E-mail: anisimov@umd.edu

    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, H{sub 2}O-NaCl and H{sub 2}O-glycerol. We find the behavior of the heat capacity in supercooled aqueous solutions of NaCl, as reported by Archermore » 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.« less

  12. A Novel Liquid-Liquid Extraction for the Determination of Sertraline in Tap Water and Waste Water at Trace Levels by GC-MS.

    PubMed

    Koçoğlu, Elif Seda; Bakırdere, Sezgin; Keyf, Seyfullah

    2017-09-01

    A simple, green and fast analytical method was developed for the determination of sertraline in tap and waste water samples at trace levels by using supportive liquid-liquid extraction with gas chromatography-mass spectrometry. Different parameters affecting extraction efficiency such as types and volumes of extraction and supporter solvents, extraction period, salt type and amount were optimized to get lower detection limits. Ethyl acetate was selected as optimum extraction solvent. In order to improve the precision, anthracene-D10 was used as an internal standard. The calibration plot of sertraline was linear from 1.0 to 1000 ng/mL with a correlation coefficient of 0.999. The limit of detection value under the optimum conditions was found to be 0.43 ng/mL. In real sample measurements, spiking experiments were performed to check the reliability of the method for these matrices. The spiking experiments yielded satisfactory recoveries of 91.19 ± 2.48%, 90.48 ± 5.19% and 95.46 ± 6.56% for 100, 250 and 500 ng/mL sertraline for tap water, and 85.80 ± 2.15% and 92.43 ± 4.02% for 250 and 500 ng/mL sertraline for waste water.

  13. Reversible water uptake/release by thermoresponsive polyelectrolyte hydrogels derived from ionic liquids.

    PubMed

    Deguchi, Yuki; Kohno, Yuki; Ohno, Hiroyuki

    2015-06-07

    Thermoresponsive polyelectrolyte hydrogels, derived from tetra-n-alkylphosphonium 3-sulfopropyl methacrylate-type ionic liquid monomers, show reversible water uptake/release, in which the gels absorb/desorb water for at least ten cycles via a lower critical solution temperature-type phase transition.

  14. Water liquid-vapor interface subjected to various electric fields: A molecular dynamics study.

    PubMed

    Nikzad, Mohammadreza; Azimian, Ahmad Reza; Rezaei, Majid; Nikzad, Safoora

    2017-11-28

    Investigation of the effects of E-fields on the liquid-vapor interface is essential for the study of floating water bridge and wetting phenomena. The present study employs the molecular dynamics method to investigate the effects of parallel and perpendicular E-fields on the water liquid-vapor interface. For this purpose, density distribution, number of hydrogen bonds, molecular orientation, and surface tension are examined to gain a better understanding of the interface structure. Results indicate enhancements in parallel E-field decrease the interface width and number of hydrogen bonds, while the opposite holds true in the case of perpendicular E-fields. Moreover, perpendicular fields disturb the water structure at the interface. Given that water molecules tend to be parallel to the interface plane, it is observed that perpendicular E-fields fail to realign water molecules in the field direction while the parallel ones easily do so. It is also shown that surface tension rises with increasing strength of parallel E-fields, while it reduces in the case of perpendicular E-fields. Enhancement of surface tension in the parallel field direction demonstrates how the floating water bridge forms between the beakers. Finally, it is found that application of external E-fields to the liquid-vapor interface does not lead to uniform changes in surface tension and that the liquid-vapor interfacial tension term in Young's equation should be calculated near the triple-line of the droplet. This is attributed to the multi-directional nature of the droplet surface, indicating that no constant value can be assigned to a droplet's surface tension in the presence of large electric fields.

  15. Electron ionization cross-section calculations for liquid water at high impact energies

    NASA Astrophysics Data System (ADS)

    Bousis, C.; Emfietzoglou, D.; Hadjidoukas, P.; Nikjoo, H.; Pathak, A.

    2008-04-01

    Cross-sections for the ionization of liquid water is perhaps the most essential set of data needed for modeling electron transport in biological matter. The complexity of ab initio calculations for any multi-electron target has led to largely heuristic semi-empirical models which take advantage elements of the Bethe, dielectric and binary collision theories. In this work we present various theoretical models for calculating total ionization cross-sections (TICSs) for liquid water over the 10 keV-1 MeV electron energy range. In particular, we extend our recent dielectric model calculations for liquid water to relativistic energies using both the appropriate kinematic corrections and the transverse part. Comparisons are made with widely used atomic and molecular TICS models such as those of Khare and co-workers, Kim-Rudd, Deutsch-Märk, Vriens and Gryzinski. The required dipole oscillator strength was provided by our recent optical-data model which is based on the latest experimental data for liquid water. The TICSs computed by the above models differ by up to 40% from the dielectric results. The best agreement (to within ∼10%) was obtained by Khare's original model and an approximate form of Gryzinski's model. In contrast, the binary-encounter-dipole (BED) models of both Kim-Rudd and Khare and co-workers resulted in ∼10-20% higher TICS values, while discrepancies increased to ∼30-40% when their simpler binary-encounter-Bethe (BEB) versions were used. Finally, we discuss to what extent the accuracy of the TICS is indicative of the reliability of the underlying differential cross-sections.

  16. Liquid Water Saturation and Oxygen Transport Resistance in Polymer Electrolyte Membrane Fuel Cell Gas Diffusion Layers

    NASA Astrophysics Data System (ADS)

    Muirhead, Daniel

    In this thesis, the relative humidity (RH) of the cathode reactant gas was investigated as a factor which influences gas diffusion layer (GDL) liquid water accumulation and mass transport-related efficiency losses over a range of operating current densities in a polymer electrolyte membrane (PEM) fuel cell. Limiting current measurements were used to characterize fuel cell oxygen transport resistance while simultaneous measurements of liquid water accumulation were conducted using synchrotron X-ray radiography. GDL porosity distributions were characterized with micro-computed tomography (microCT). The work presented here can be used by researchers to develop improved numerical models to predict GDL liquid water accumulation and to inform the design of next-generation GDL materials to mitigate mass transport-related efficiency losses. This work also contributes an extensive set of concurrent performance and liquid water visualization data to the PEM fuel cell field that can be used for validating multiphase transport models.

  17. Improved prediction of octanol-water partition coefficients from liquid-solute water solubilities and molar volumes

    USGS Publications Warehouse

    Chiou, C.T.; Schmedding, D.W.; Manes, M.

    2005-01-01

    A volume-fraction-based solvent-water partition model for dilute solutes, in which the partition coefficient shows a dependence on solute molar volume (V??), is adapted to predict the octanol-water partition coefficient (K ow) from the liquid or supercooled-liquid solute water solubility (Sw), or vice versa. The established correlation is tested for a wide range of industrial compounds and pesticides (e.g., halogenated aliphatic hydrocarbons, alkylbenzenes, halogenated benzenes, ethers, esters, PAHs, PCBs, organochlorines, organophosphates, carbamates, and amidesureas-triazines), which comprise a total of 215 test compounds spanning about 10 orders of magnitude in Sw and 8.5 orders of magnitude in Kow. Except for phenols and alcohols, which require special considerations of the Kow data, the correlation predicts the Kow within 0.1 log units for most compounds, much independent of the compound type or the magnitude in K ow. With reliable Sw and V data for compounds of interest, the correlation provides an effective means for either predicting the unavailable log Kow values or verifying the reliability of the reported log Kow data. ?? 2005 American Chemical Society.

  18. Surface Structure of TiO2 Rutile (011) Exposed to Liquid Water

    PubMed Central

    2017-01-01

    The rutile TiO2(011) surface exhibits a (2 × 1) reconstruction when prepared by standard techniques in ultrahigh vacuum (UHV). Here we report that a restructuring occurs upon exposing the surface to liquid water at room temperature. The experiment was performed in a dedicated UHV system, equipped for direct and clean transfer of samples between UHV and liquid environment. After exposure to liquid water, an overlayer with a (2 × 1) symmetry was observed containing two dissociated water molecules per unit cell. The two OH groups yield an apparent “c(2 × 1)” symmetry in scanning tunneling microscopy (STM) images. On the basis of STM analysis and density functional theory (DFT) calculations, this overlayer is attributed to dissociated water on top of the unreconstructed (1 × 1) surface. Investigation of possible adsorption structures and analysis of the domain boundaries in this structure provide strong evidence that the original (2 × 1) reconstruction is lifted. Unlike the (2 × 1) reconstruction, the (1 × 1) surface has an appropriate density and symmetry of adsorption sites. The possibility of contaminant-induced restructuring was excluded based on X-ray photoelectron spectroscopy (XPS) and low-energy He+ ion scattering (LEIS) measurements. PMID:29285204

  19. Development of a fast liquid chromatography-tandem mass spectrometry method for the determination of endocrine-disrupting compounds in waters.

    PubMed

    Di Carro, Marina; Scapolla, Carlo; Liscio, Camilla; Magi, Emanuele

    2010-09-01

    A fast liquid chromatography-electrospray ionization-tandem mass spectrometry (LC-ESI-MS-MS) method was developed to study five endocrine-disrupting compounds (4-n-nonylphenol, bisphenol A, estrone, 17β-estradiol and 17α-ethinylestradiol) in water. Different columns were tested; the chromatographic separation of the analytes was optimized on a Pinnacle DB biphenylic column with a water-acetonitrile gradient elution, which allowed the separation of the selected endocrine-disrupting compounds (EDCs) in less than 6 min. Quantitative analysis was performed in selected reaction monitoring (SRM) mode; two transitions were chosen for each compound, using the most abundant for quantitation. Calibration curves using bisphenol A-d (16) as internal standard were drawn, showing good correlation coefficients (0.9993-0.9998). All figures of merit of the method were satisfactory; limits of detection were in the low pg range for all analytes. The method was then applied to the determination of the analytes in real water samples: to this aim, polar organic chemical integrative samplers (POCIS) were deployed in the influent and in the effluent of a drinking water treatment plant in Liguria (Italy). The EDC level was rather low in the influent and negligible in the outlet, reflecting the expected function of the treatment plant.

  20. 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.

  1. 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.

  2. Simulations of the effects of water vapor, cloud liquid water, and ice on AMSU moisture channel brightness temperatures

    NASA Technical Reports Server (NTRS)

    Muller, Bradley M.; Fuelberg, Henry E.; Xiang, Xuwu

    1994-01-01

    Radiative transfer simulations are performed to determine how water vapor and nonprecipitating cloud liquid water and ice particles within typical midlatitude atmospheres affect brightness temperatures T(sub B)'s of moisture sounding channels used in the Advanced Microwave Sounding Unit (AMSU) and AMSU-like instruments. The purpose is to promote a general understanding of passive top-of-atmosphere T(sub B)'s for window frequencies at 23.8, 89.0, and 157.0 GHz, and water vapor frequencies at 176.31, 180.31, and 182.31 GHz by documenting specific examples. This is accomplished through detailed analyses of T(sub B)'s for idealized atmospheres, mostly representing temperate conditions over land. Cloud effects are considered in terms of five basic properties: droplet size distribution, phase, liquid or ice water content, altitude, and thickness. Effects on T(sub B) of changing surface emissivity also are addressed. The brightness temperature contribution functions are presented as an aid to physically interpreting AMSU T(sub B)'s. Both liquid and ice clouds impact the T(sub B)'s in a variety of ways. The T(sub B)'s at 23.8 and 89 GHz are more strongly affected by altostratus liquid clouds than by cirrus clouds for equivalent water paths. In contrast, channels near 157 and 183 GHz are more strongly affected by ice clouds. Higher clouds have a greater impact on 157- and 183-GHz T(sub B)'s than do lower clouds. Clouds depress T(sub B)'s of the higher-frequency channels by suppressing, but not necessarily obscuring, radiance contributions from below. Thus, T(sub B)'s are less closely associated with cloud-top temperatures than are IR radiometric temperatures. Water vapor alone accounts for up to 89% of the total attenuation by a midtropospheric liquid cloud for channels near 183 GHz. The Rayleigh approximation is found to be adequate for typical droplet size distributions; however, Mie scattering effects from liquid droplets become important for droplet size distribution

  3. 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.

  4. Dispersive liquid-liquid microextraction of lead(II) as 5-(4-dimethylaminobenzylidene) rhodanine chelates from food and water samples.

    PubMed

    Alothman, Zeid A; Al-Shaalan, Nora H; Habila, Mohamed A; Unsal, Yunus E; Tuzen, Mustafa; Soylak, Mustafa

    2015-02-01

    A dispersive liquid-liquid microextraction procedure for lead(II) as its 5-(4-dimethylaminobenzylidene) rhodanine complex has been established prior to its microsampling flame atomic absorption spectrometric determination. The influences of various analytical parameters including pH, solvent type and volume, dispersive solvent type and volume, 5-(4-dimethylaminobenzylidene) rhodanine amount, salt effect, and centrifugation time and speed were investigated. The effects of certain alkali, alkaline earth, and transition metal ions on the quantitative extraction of lead(II) were also studied. Quantitative recoveries were obtained at pH 6. The enrichment factor was calculated as 125. The detection limit for lead is 1.1 μg/L. The accuracy of the method was tested with the additions recovery test and analysis of the standard reference materials (SPS-WW2 waste water, NIST SRM 1515 apple leaves, and TMDA-51.3 fortified water). Applications of the present procedure were tested by analyzing water and food samples.

  5. Determination of cloud liquid water content using the SSM/I

    NASA Technical Reports Server (NTRS)

    Alishouse, John C.; Snider, Jack B.; Westwater, Ed R.; Swift, Calvin T.; Ruf, Christopher S.

    1990-01-01

    As part of a calibration/validation effort for the special sensor microwave/imager (SSM/I), coincident observations of SSM/I brightness temperatures and surface-based observations of cloud liquid water were obtained. These observations were used to validate initial algorithms and to derive an improved algorithm. The initial algorithms were divided into latitudinal-, seasonal-, and surface-type zones. It was found that these initial algorithms, which were of the D-matrix type, did not yield sufficiently accurate results. The surface-based measurements of channels were investigated; however, the 85V channel was excluded because of excessive noise. It was found that there is no significant correlation between the SSM/I brightness temperatures and the surface-based cloud liquid water determination when the background surface is land or snow. A high correlation was found between brightness temperatures and ground-based measurements over the ocean.

  6. Impact of water dilution and cation tail length on ionic liquid characteristics: Interplay between polar and non-polar interactions

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

    Hegde, Govind A.; Bharadwaj, Vivek S.; Kinsinger, Corey L.

    2016-08-14

    The recalcitrance of lignocellulosic biomass poses a major challenge that hinders the economical utilization of biomass for the production of biofuel, plastics, and chemicals. Ionic liquids have become a promising solvent that addresses many issues in both the pretreatment process and the hydrolysis of the glycosidic bond for the deconstruction of cellulosic materials. However, to make the use of ionic liquids economically viable, either the cost of ionic liquids must be reduced, or a less expensive solvent (e.g., water) may be added to reduce the overall amount of ionic liquid used in addition to reducing the viscosity of the binarymore » liquid mixture. In this work, we employ atomistic molecular dynamics simulations to investigate the impact of water dilution on the overall liquid structure and properties of three imidazolium based ionic liquids. It is found that ionic liquid-water mixtures exhibit characteristics that can be grouped into two distinct regions, which are a function of the ionic liquid concentration. The trends observed in each region are found to correlate with the ordering in the local structure of the ionic liquid that arises from the dynamic interactions between the ion pairs. Simulation results suggest that there is a high level of local ordering in the molecular structure at high concentrations of ionic liquids that is driven by the aggregation of the cationic tails and the anion-water interactions. It is found that as the concentration of ionic liquids in the binary mixture is decreased, there is a point at which the competing self and cross interaction energies between the ionic liquid and water shifts away from a cation-anion dominated regime, which results in a significant change in the mixture properties. This break point, which occurs around 75% w/w ionic liquids, corresponds to the point at which water molecules percolate into the ionic liquid network disrupting the ionic liquids’ nanostructure. It is observed that as the cationic

  7. Effect of simple solutes on the long range dipolar correlations in liquid water

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

    Baul, Upayan, E-mail: upayanb@imsc.res.in; Anishetty, Ramesh, E-mail: ramesha@imsc.res.in; Vemparala, Satyavani, E-mail: vani@imsc.res.in

    2016-03-14

    Intermolecular correlations in liquid water at ambient conditions have generally been characterized through short range density fluctuations described through the atomic pair distribution functions. Recent numerical and experimental results have suggested that such a description of order or structure in liquid water is incomplete and there exist considerably longer ranged orientational correlations in water that can be studied through dipolar correlations. In this study, using large scale classical, atomistic molecular dynamics simulations using TIP4P-Ew and TIP3P models of water, we show that salts such as sodium chloride (NaCl), potassium chloride (KCl), caesium chloride (CsCl), and magnesium chloride (MgCl{sub 2}) havemore » a long range effect on the dipolar correlations, which cannot be explained by the notion of structure making and breaking by dissolved ions. Observed effects are explained through orientational stratification of water molecules around ions and their long range coupling to the global hydrogen bond network by virtue of the sum rule for water. The observations for single hydrophilic solutes are contrasted with the same for a single methane (CH{sub 4}) molecule. We observe that even a single small hydrophobe can result in enhancement of long range orientational correlations in liquid water, contrary to the case of dissolved ions, which have been observed to have a reducing effect. The observations from this study are discussed in the context of hydrophobic effect.« less

  8. Sum-frequency generation analyses of the structure of water at amphoteric SAM-liquid water interfaces.

    PubMed

    Nomura, Kouji; Nakaji-Hirabayashi, Tadashi; Gemmei-Ide, Makoto; Kitano, Hiromi; Noguchi, Hidenori; Uosaki, Kohei

    2014-09-01

    Surfaces of both a cover glass and the flat plane of a semi-cylindrical quartz prism were modified with a mixture of positively and negatively charged silane coupling reagents (3-aminopropyltriethoxysilane (APTES) and 3-(trihydroxysilyl)propylmethylphosphonate (THPMP), respectively). The glass surface modified with a self-assembled monolayer (SAM) prepared at a mixing ratio of APTES:THPMP=4:6 was electrically almost neutral and was resistant to non-specific adsorption of proteins, whereas fibroblasts gradually adhered to an amphoteric (mixed) SAM surface probably due to its stiffness, though the number of adhered cells was relatively small. Sum frequency generation (SFG) spectra indicated that total intensity of the OH stretching region (3000-3600cm(-1)) for the amphoteric SAM-modified quartz immersed in liquid water was smaller than those for the positively and negatively charged SAM-modified quartz prisms and a bare quartz prism in contact with liquid water. These results suggested that water molecules at the interface of water and an amphoteric SAM-modified quartz prism are not strongly oriented in comparison with those at the interface of a lopsidedly charged SAM-modified quartz prism and bare quartz. The importance of charge neutralization for the anti-biofouling properties of solid materials was strongly suggested. Copyright © 2014 Elsevier B.V. All rights reserved.

  9. Skylab near-infrared observations of clouds indicating supercooled liquid water droplets

    NASA Technical Reports Server (NTRS)

    Curran, R. J.; Wu, M.-L. C.

    1982-01-01

    Orographically-induced lee-wave clouds were observed over New Mexico by a multichannel scanning radiometer on Skylab during December 1973. Channels centered at 0.83, 1.61 and 2.125 microns were used to determine the cloud optical thickness, thermodynamic phase and effective particle size. An additional channel centered at 11.4 microns was used to determine cloud-top temperature, which was corroborated through comparison with the stereographically determined cloud top altitudes and conventional temperature soundings. Analysis of the measured near-infrared reflection functions at 1.61 and 2.125 microns are most easily interpreted as indicating the presence of liquid-phase water droplets. This interpretation is not conclusive even after considerable effort to understand possible sources for misinterpretation. However, if accepted the resulting phase determination is considered anomalous due to the inferred cloud-top temperatures being in the -32 to -47 C range. Theory for the homogeneous nucleation of pure supercooled liquid water droplets predicts very short lifetimes for the liquid phase at these cold temperatures. A possible explanation for the observations is that the wave-clouds are composed of solution droplets. Impurities in the cloud droplets could decrease the homogeneous freezing rate for these droplets, permitting them to exist for a longer time in the liquid phase, at the cold temperatures found.

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

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

    Bovery, Caitlin M.; Wyneken, Jeanette

    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

  11. 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

  12. Pressure Effect on the Boson Peak in Deeply Cooled Confined Water: Evidence of a Liquid-Liquid Transition.

    PubMed

    Wang, Zhe; Kolesnikov, Alexander I; Ito, Kanae; Podlesnyak, Andrey; Chen, Sow-Hsin

    2015-12-04

    The boson peak in deeply cooled water confined in nanopores is studied 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. 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. In addition, the P dependence of the librational band also agrees with the above conclusion.

  13. 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

  14. Determination of organophosphorus pesticides in environmental water samples by dispersive liquid-liquid microextraction with solidification of floating organic droplet followed by high-performance liquid chromatography.

    PubMed

    Wu, Chunxia; Liu, Huimin; Liu, Weihua; Wu, Qiuhua; Wang, Chun; Wang, Zhi

    2010-07-01

    A simple dispersive liquid-liquid microextraction based on solidification of floating organic droplet coupled with high-performance liquid chromatography-diode array detection was developed for the determination of five organophosphorus pesticides (OPs) in water samples. In this method, the extraction solvent used is of low density, low toxicity, and proper melting point near room temperature. The extractant droplet could be collected easily by solidifying it in the lower temperature. Some important experimental parameters that affect the extraction efficiencies were optimized. Under the optimum conditions, the calibration curve was linear in the concentration range from 1 to 200 ng mL(-1) for the five OPs (triazophos, parathion, diazinon, phoxim, and parathion-methyl), with the correlation coefficients (r) varying from 0.9991 to 0.9998. High enrichment factors were achieved ranging from 215 to 557. The limits of detection were in the range between 0.1 and 0.3 ng mL(-1). The recoveries of the target analytes from water samples at spiking levels of 5.0 and 50.0 ng mL(-1) were 82.2-98.8% and 83.6-104.0%, respectively. The relative standard deviations fell in the range of 4.4% to 6.3%. The method was suitable for the determination of the OPs in real water samples.

  15. Distinct Seasonal Patterns of Bacterioplankton Abundance and Dominance of Phyla α-Proteobacteria and Cyanobacteria in Qinhuangdao Coastal Waters Off the Bohai Sea

    PubMed Central

    He, Yaodong; Sen, Biswarup; Zhou, Shuangyan; Xie, Ningdong; Zhang, Yongfeng; Zhang, Jianle; Wang, Guangyi

    2017-01-01

    Qinhuangdao coastal waters in northern China are heavily impacted by anthropogenic and natural activities, and we anticipate a direct influence of the impact on the bacterioplankton abundance and diversity inhabiting the adjacent coastal areas. To ascertain the anthropogenic influences, we first evaluated the seasonal abundance patterns and diversity of bacterioplankton in the coastal areas with varied levels of natural and anthropogenic activities and then analyzed the environmental factors which influenced the abundance patterns. Results indicated distinct patterns in bacterioplankton abundance across the warm and cold seasons in all stations. Total bacterial abundance in the stations ranged from 8.67 × 104 to 2.08 × 106 cells/mL and had significant (p < 0.01) positive correlation with total phosphorus (TP), which indicated TP as the key monitoring parameter for anthropogenic impact on nutrients cycling. Proteobacteria and Cyanobacteria were the most abundant phyla in the Qinhuangdao coastal waters. Redundancy analysis revealed significant (p < 0.01) influence of temperature, dissolved oxygen and chlorophyll a on the spatiotemporal abundance pattern of α-Proteobacteria and Cyanobacteria groups. Among the 19 identified bacterioplankton subgroups, α-Proteobacteria (phylum Proteobacteria) was the dominant one followed by Family II (phylum Cyanobacteria), representing 19.1–55.2% and 2.3–54.2% of total sequences, respectively. An inverse relationship (r = -0.82) was observed between the two dominant subgroups, α-Proteobacteria and Family II. A wide range of inverse Simpson index (10.2 to 105) revealed spatial heterogeneity of bacterioplankton diversity likely resulting from the varied anthropogenic and natural influences. Overall, our results suggested that seasonal variations impose substantial influence on shaping bacterioplankton abundance patterns. In addition, the predominance of only a few cosmopolitan species in the Qinhuangdao coastal wasters was

  16. Bacterioplankton in antarctic ocean waters during late austral winter: abundance, frequency of dividing cells, and estimates of production.

    PubMed

    Hanson, R B; Shafer, D; Ryan, T; Pope, D H; Lowery, H K

    1983-05-01

    Bacterioplankton productivity in Antarctic waters of the eastern South Pacific Ocean and Drake Passage was estimated by direct counts and frequency of dividing cells (FDC). Total bacterioplankton assemblages were enumerated by epifluorescent microscopy. The experimentally determined relationship between in situ FDC and the potential instantaneous growth rate constant (mu) is best described by the regression equation ln mu = 0.081 FDC - 3.73. In the eastern South Pacific Ocean, bacterioplankton abundance (2 x 10 to 3.5 x 10 cells per ml) and FDC (11%) were highest at the Polar Front (Antarctic Convergence). North of the Subantarctic Front, abundance and FDC were between 1 x 10 to 2 x 10 cells per ml and 3 to 5%, respectively, and were vertically homogeneous to a depth of 600 m. In Drake Passage, abundance (10 x 10 cells per ml) and FDC (16%) were highest in waters south of the Polar Front and near the sea ice. Subantarctic waters in Drake Passage contained 4 x 10 cells per ml with 4 to 5% FDC. Instantaneous growth rate constants ranged between 0.029 and 0.088 h. Using estimates of potential mu and measured standing stocks, we estimated productivity to range from 0.62 mug of C per liter . day in the eastern South Pacific Ocean to 17.1 mug of C per liter . day in the Drake Passage near the sea ice.

  17. Search for the First-Order Liquid-to-Liquid Phase Transition in Low-Temperature Confined Water by Neutron Scattering

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

    Chen, Sow-Hsin; Wang, Zhe; Kolesnikov, Alexander I

    2013-01-01

    It has been conjectured that a 1st order liquid-to-liquid (L-L) phase transition (LLPT) between high density liquid (HDL) and low density liquid (LDL) in supercooled water may exist, as a thermodynamic extension to the liquid phase of the 1st order transition established between the two bulk solid phases of amorphous ice, the high density amorphous ice (HDA) and the low density amorphous ice (LDA). In this paper, we first recall our previous attempts to establish the existence of the 1st order L-L phase transition through the use of two neutron scattering techniques: a constant Q elastic diffraction study of isobaricmore » temperature scan of the D2O density, namely, the equation of state (EOS) measurements. A pronounced density hysteresis phenomenon in the temperature scan of the density above P = 1500 bar is observed which gives a plausible evidence of crossing the 1st order L-L phase transition line above this pressure; an incoherent quasi-elastic scattering measurements of temperature-dependence of the alpha-relaxation time of H2O at a series of pressures, namely, the study of the Fragile-to-Strong dynamic crossover (FSC) phenomenon as a function of pressure which we interpreted as the results of crossing the Widom line in the one-phase region. In this new experiment, we used incoherent inelastic neutron scattering (INS) to measure the density of states (DOS) of H atoms in H2O molecules in confined water as function of temperature and pressure, through which we may be able to follow the emergence of the LDL and HDL phases at supercooled temperature and high pressures. We here report for the first time the differences of librational and translational DOSs between the hypothetical HDL and LDL phases, which are similar to the corresponding differences between the well-established HDA and LDA ices. This is plausible evidence that the HDL and LDL phases are the thermodynamic extensions of the corresponding amorphous solid water HDA and LDA ices.« less

  18. Search for the first-order liquid-to-liquid phase transition in low-temperature confined water by neutron scattering

    NASA Astrophysics Data System (ADS)

    Chen, Sow-Hsin; Wang, Zhe; Kolesnikov, Alexander I.; Zhang, Yang; Liu, Kao-Hsiang

    2013-02-01

    It has been conjectured that a 1st order liquid-to-liquid (L-L) phase transition (LLPT) between high density liquid (HDL) and low density liquid (LDL) in supercooled water may exist, as a thermodynamic extension to the liquid phase of the 1st order transition established between the two bulk solid phases of amorphous ice, the high density amorphous ice (HDA) and the low density amorphous ice (LDA). In this paper, we first recall our previous attempts to establish the existence of the 1st order L-L phase transition through the use of two neutron scattering techniques: a constant Q elastic diffraction study of isobaric temperature scan of the D2O density, namely, the equation of state (EOS) measurements. A pronounced density hysteresis phenomenon in the temperature scan of the density above P = 1500 bar is observed which gives a plausible evidence of crossing the 1st order L-L phase transition line above this pressure; an incoherent quasi-elastic scattering measurements of temperature-dependence of the α-relaxation time of H2O at a series of pressures, namely, the study of the Fragile-to-Strong dynamic crossover (FSC) phenomenon as a function of pressure which we interpreted as the results of crossing the Widom line in the one-phase region. In this new experiment, we used incoherent inelastic neutron scattering (INS) to measure the density of states (DOS) of H atoms in H2O molecules in confined water as function of temperature and pressure, through which we may be able to follow the emergence of the LDL and HDL phases at supercooled temperature and high pressures. We here report for the first time the differences of librational and translational DOSs between the hypothetical HDL and LDL phases, which are similar to the corresponding differences between the well-established HDA and LDA ices. This is plausible evidence that the HDL and LDL phases are the thermodynamic extensions of the corresponding amorphous solid water HDA and LDA ices.

  19. A physical retrieval of cloud liquid water over the global oceans using special sensor microwave/imager (SSM/I) observations

    NASA Astrophysics Data System (ADS)

    Greenwald, Thomas J.; Stephens, Graeme L.; Vonder Haar, Thomas H.; Jackson, Darren L.

    1993-10-01

    A method of remotely sensing integrated cloud liquid water over the oceans using spaceborne passive measurements from the special sensor microwave/imager (SSM/I) is described. The technique is comprised of a simple physical model that uses the 19.35- and 37-GHz channels of the SSM/I. The most comprehensive validation to date of cloud liquid water estimated from satellites is presented. This is accomplished through a comparison to independent ground-based microwave radiometer measurements of liquid water on San Nicolas Island, over the North Sea, and on Kwajalein and Saipan Islands in the western Pacific. In areas of marine stratocumulus clouds off the coast of California a further comparison is made to liquid water inferred from advanced very high resolution radiometer (AVHRR) visible reflectance measurements. The results are also compared qualitatively with near-coincident satellite imagery and with other existing microwave methods in selected regions. These comparisons indicate that the liquid water amounts derived from the simple scheme are consistent with the ground-based measurements for nonprecipitating cloud systems in the subtropics and middle to high latitudes. The comparison in the tropics, however, was less conclusive. Nevertheless, the retrieval method appears to have general applicability over most areas of the global oceans. An observational measure of the minimum uncertainty in the retrievals is determined in a limited number of known cloud-free areas, where the liquid water amounts are found to have a low variability of 0.016 kg m-2. A simple sensitivity and error analysis suggests that the liquid water estimates have a theoretical relative error typically ranging from about 25% to near 40% depending on the atmospheric/surface conditions and on the amount of liquid water present in the cloud. For the global oceans as a whole the average cloud liquid water is determined to be about 0.08 kg m-2. The major conclusion of this paper is that reasonably

  20. Ternary liquid-liquid equilibrium for eugenol + tert-butanol + water system at 303.15 and 323.15K and atmospheric pressure

    NASA Astrophysics Data System (ADS)

    Sucipto, Retno Kumala Hesti; Kuswandi, Wibawa, Gede

    2017-05-01

    The objective of this study was to determine ternary liquid-liquid equilibrium for eugenol + tert-butanol + water system at 303.15 and 323.15K and atmospheric pressure. Using 25 mL equilibrium cell equipped jacketted water connected to water bath to maintain equilibrium temperature constant. The procedure of this experiment was conducted by inserting mixture of eugenol + tert-butanol + water system at certain composition into equilibrium cell. The solution was stirred for 4 hours and then was allowed for 20 hours in order to separate aqueous and organic phases completely. The temperature equilibrium cell of and the atmosphere pressure were recorded as equilibrium temperature and pressure for each measurenment. The equilibrium compositions of each phase were analyzed using Gas Chromatography. The experimental data obtained in this work were correlated with NRTL and UNIQUAC models with root mean square deviation between esperimental and calculated equilibrium compositions of 0.03% and 0.04% respectively.

  1. 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).

  2. Thermally driven electrokinetic energy conversion with liquid water microjets

    DOE PAGES

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

    2015-11-01

    One 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.

  3. 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.

  4. Reversed-phase high-performance liquid chromatography of sulfur mustard in water

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

    Raghuveeran, C.D.; Malhotra, R.C.; Dangi, R.S.

    1993-01-01

    A reversed-phase high-performance liquid chromatography method for the detection and quantitation of sulfur mustard (HD) in water is described with detection at 200 nm. The detection based on the solubility of HD in water revealed that extremely low quantities of HD (4 to 5 mg/L) only are soluble. Experience shows that water is still the medium of choice for the analysis of HD in water and aqueous effluents in spite of the minor handicap of its half-life of ca. 4 minutes, which only calls for speedy analysis.

  5. Global statistics of liquid water content and effective number concentration of water clouds over ocean derived from combined CALIPSO and MODIS measurements

    NASA Astrophysics Data System (ADS)

    Hu, Y.; Vaughan, M.; McClain, C.; Behrenfeld, M.; Maring, H.; Anderson, D.; Sun-Mack, S.; Flittner, D.; Huang, J.; Wielicki, B.; Minnis, P.; Weimer, C.; Trepte, C.; Kuehn, R.

    2007-06-01

    This study presents an empirical relation that links the volume extinction coefficients of water clouds, the layer integrated depolarization ratios measured by lidar, and the effective radii of water clouds derived from collocated passive sensor observations. Based on Monte Carlo simulations of CALIPSO lidar observations, this method combines the cloud effective radius reported by MODIS with the lidar depolarization ratios measured by CALIPSO to estimate both the liquid water content and the effective number concentration of water clouds. The method is applied to collocated CALIPSO and MODIS measurements obtained during July and October of 2006, and January 2007. Global statistics of the cloud liquid water content and effective number concentration are presented.

  6. 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...

  7. Far-infrared laser vibration-rotation-tunneling spectroscopy of water clusters in the librational band region of liquid water

    NASA Astrophysics Data System (ADS)

    Keutsch, Frank N.; Fellers, Ray S.; Viant, Mark R.; Saykally, Richard J.

    2001-03-01

    We report the first high resolution spectrum of a librational vibration for a water cluster. Four parallel bands of (H2O)3 were measured between 510 and 525 cm-1 using diode laser vibration-rotation-tunneling (VRT) spectroscopy. The bands lie in the "librational band" region of liquid water and are assigned to the nondegenerate out of plane librational vibration. The observation of at least three distinct bands within 8 cm-1 originating in the vibrational ground state is explained by a dramatically increased splitting of the rovibrational levels relative to the ground state by bifurcation tunneling and is indicative of a greatly reduced barrier height in the excited state. This tunneling motion is of special significance, as it is the lowest energy pathway for breaking and reforming of hydrogen bonds, a salient aspect of liquid water dynamics.

  8. Evaporation Rates for Liquid Water and Ice Under Current Martian Conditions

    NASA Technical Reports Server (NTRS)

    Sears, D. W. G.; Moore, S. R.; Meier, A.; Chittenden, J.; Kareev, M.; Farmer, C. B.

    2004-01-01

    A number of studies have been concerned with the evaporation rates under martian conditions in order to place limits on the possible survival time of both liquid water and ice exposed on the surface of Mars. Such studies also aid in assessing the efficacy of an overlying layer of dust or loose regolith material in providing a barrier to free evaporation and thus prolong the lifetime of water in locations where its availability to putative living organisms would be significant. A better quantitative understanding of the effects of phase changes of water in the near surface environment would also aid the evaluation of the possible role of water in the formation of currently observed features, such as gullies in cliff walls and relatively short-term changes in the albedo of small surface areas ('dark stains'). Laboratory measurements aimed at refinement of our knowledge of these values are described here. The establishment of accurate values for evaporation rates and their dependence on the physical conditions of temperature, pressure and energy input, is an important benchmark for the further investigation of the efficacy of barriers to free evaporation in providing a prolonged period of survival of the water, particularly as a liquid.

  9. Suitability of dispersive liquid-liquid microextraction for the in situ silylation of chlorophenols in water samples before gas chromatography with mass spectrometry.

    PubMed

    Saraji, Mohammad; Ghambari, Hoda

    2015-10-01

    Trace analysis of chlorophenols in water was performed by simultaneous silylation and dispersive liquid-liquid microextraction followed by gas chromatography with mass spectrometry. Dispersive liquid-liquid microextraction was carried out using an organic solvent lighter than water (n-hexane). The effect of different silylating reagents on the method efficiency was investigated. The influence of derivatization reagent volume, presence of catalyst and derivatization/extraction time on the yield of the derivatization reaction was studied. Different parameters affecting extraction efficiency such as kind and volume of extraction and disperser solvents, pH of the sample and addition of salt were also investigated and optimized. Under the optimum conditions, the calibration graphs were linear in the range of 0.05-100 ng/mL and the limit of detection was 0.01 ng/mL. The enrichment factors were 242, 351, and 363 for 4-chlorophenol, 2,4-dichlorophenol, and 2,4,6-trichlorophenol, respectively. The values of intra- and inter-day relative standard deviations were in the range of 3.0-6.4 and 6.1-9.9%, respectively. The applicability of the method was investigated by analyzing water and wastewater samples. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Probing the electronic structure of liquid water with many-body perturbation theory

    NASA Astrophysics Data System (ADS)

    Pham, Tuan Anh; Zhang, Cui; Schwegler, Eric; Galli, Giulia

    2014-03-01

    We present a first-principles investigation of the electronic structure of liquid water based on many-body perturbation theory (MBPT), within the G0W0 approximation. The liquid quasiparticle band gap and the position of its valence band maximum and conduction band minimum with respect to vacuum were computed and it is shown that the use of MBPT is crucial to obtain results that are in good agreement with experiment. We found that the level of theory chosen to generate molecular dynamics trajectories may substantially affect the electronic structure of the liquid, in particular, the relative position of its band edges and redox potentials. Our results represent an essential step in establishing a predictive framework for computing the relative position of water redox potentials and the band edges of semiconductors and insulators. Work supported by DOE/BES (Grant No. DE-SC0008938). Work at LLNL was performed under Contract DE-AC52-07NA27344.

  11. An upper limit to the abundance of lightning-produced amino acids in the Jovian water clouds

    NASA Astrophysics Data System (ADS)

    Bar-Nun, A.; Noy, N.; Podolak, M.

    1984-08-01

    The effect of excess hydrogen on the synthesis of amino acids by high-temperature shock waves in a hydrogen/methane/ammonia/water vapor mixture was studied experimentally. The energy efficiency results, together with the best estimate of the lightning energy dissipation rate on Jupiter from the Voyage data, were used to calculate an upper limit to the rate of amino acid production by lightning in Jovian water clouds. Using reasonable values for the eddy diffusion coefficients within and below the water clouds, the column abundance of lightning-produced amino acids in the clouds was estimated to be 6.2 x 10 to the -6th cm-am. Hence, concentration of amino acids in water droplets would be 8 x 10 to the -8th mole/liter.

  12. Experimental and computational study on the properties of pure and water mixed 1-ethyl-3-methylimidazolium L-(+)-lactate ionic liquid.

    PubMed

    Aparicio, Santiago; Alcalde, Rafael; Atilhan, Mert

    2010-05-06

    Ionic liquids have attracted great attention, from both industry and academe, as alternative fluids for a large collection of applications. Although the term green is used frequently to describe ionic liquids in general, it is obvious that it cannot be applied to the huge quantity of possible ionic liquids, and thus, those with adequate environmental and technological profiles must be selected for further and deeper studies, from both basic science and applied approaches. In this work, 1-ethyl-3-methylimidazolium L-(+)-lactate ionic liquid is studied, because of its remarkable properties, through a wide-ranging approach considering thermophysical, spectroscopic, and computational tools, to gain a deeper insight into its complex liquid structure, both pure and mixed with water, thus implying the main factors that would control the technological applications that could be designed using this fluid. The reported results shows a strongly structured pure ionic liquid, in which hydrogen bonding, because of the hydroxyl group of the lactate anion, develops a remarkable role, together with Coulombic forces to determine the fluid's behavior. Upon mixing with water, the ionic liquid retains its structure up to very high dilution levels, with the effect of the ionic liquid on the water structure being very large, even for very low ionic liquid mole fractions. Thus, in water solution, the studied ionic liquid evolves from noninteracting ions solvated by water molecules toward large interacting structures with increasing ionic liquid content.

  13. Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube

    PubMed Central

    Nomura, Kentaro; Kaneko, Toshihiro; Bai, Jaeil; Francisco, Joseph S.; Yasuoka, Kenji; Zeng, Xiao Cheng

    2017-01-01

    Possible transition between two phases of supercooled liquid water, namely the low- and high-density liquid water, has been only predicted to occur below 230 K from molecular dynamics (MD) simulation. However, such a phase transition cannot be detected in the laboratory because of the so-called “no-man’s land” under deeply supercooled condition, where only crystalline ices have been observed. Here, we show MD simulation evidence that, inside an isolated carbon nanotube (CNT) with a diameter of 1.25 nm, both low- and high-density liquid water states can be detected near ambient temperature and above ambient pressure. In the temperature–pressure phase diagram, the low- and high-density liquid water phases are separated by the hexagonal ice nanotube (hINT) phase, and the melting line terminates at the isochore end point near 292 K because of the retracting melting line from 292 to 278 K. Beyond the isochore end point (292 K), low- and high-density liquid becomes indistinguishable. When the pressure is increased from 10 to 600 MPa along the 280-K isotherm, we observe that water inside the 1.25-nm-diameter CNT can undergo low-density liquid to hINT to high-density liquid reentrant first-order transitions. PMID:28373562

  14. Ice versus liquid water saturation in simulations of the indian summer monsoon

    NASA Astrophysics Data System (ADS)

    Glazer, Russell H.; Misra, Vasubandhu

    2018-02-01

    At the same temperature, below 0 °C, the saturation vapor pressure (SVP) over ice is slightly less than the SVP over liquid water. Numerical models use the Clausius-Clapeyron relation to calculate the SVP and relative humidity, but there is not a consistent method for the treatment of saturation above the freezing level where ice and mixed-phase clouds may be present. In the context of current challenges presented by cloud microphysics in climate models, we argue that a better understanding of the impact that this treatment has on saturation-related processes like cloud formation and precipitation, is needed. This study explores the importance of the SVP calculation through model simulations of the Indian summer monsoon (ISM) using the regional spectral model (RSM) at 15 km grid spacing. A combination of seasonal and multiyear simulations is conducted with two saturation parameterizations. In one, the SVP over liquid water is prescribed through the entire atmospheric column (woIce), and in another the SVP over ice is used above the freezing level (wIce). When SVP over ice is prescribed, a thermodynamic drying of the middle and upper troposphere above the freezing level occurs due to increased condensation. In the wIce runs, the model responds to the slight decrease in the saturation condition by increasing, relative to the SVP over liquid water only run, grid-scale condensation of water. Increased grid-scale mean seasonal precipitation is noted across the ISM region in the simulation with SVP over ice prescribed. Modification of the middle and upper troposphere moisture results in a decrease in mean seasonal mid-level cloud amount and an increase in high cloud amount when SVP over ice is prescribed. Multiyear simulations strongly corroborate the qualitative results found in the seasonal simulations regarding the impact of ice versus liquid water SVP on the ISM's mean precipitation and moisture field. The mean seasonal rainfall difference over All India between w

  15. Limitations to postfire seedling establishment: The role of seeding technology, water availability, and invasive plant abundance

    Treesearch

    Jeremy J. James; Tony Svejcar

    2010-01-01

    Seeding rangeland following wildfire is a central tool managers use to stabilize soils and inhibit the spread of invasive plants. Rates of successful seeding on arid rangeland, however, are low. The objective of this study was to determine the degree to which water availability, invasive plant abundance, and seeding technology influence postfire seedling establishment...

  16. Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential

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

    Maerzke, K A; McGrath, M J; Kuo, I W

    2009-03-16

    Gibbs ensemble Monte Carlo simulations were carried out to investigate the properties of a frozen-electron-density (or Kim-Gordon, KG) model of water along the vapor-liquid coexistence curve. Because of its theoretical basis, such a KG model provides for seamless coupling to Kohn-Sham density functional theory for use in mixed quantum mechanics/molecular mechanics (QM/MM) implementations. The Gibbs ensemble simulations indicate rather limited transferability of such a simple KG model to other state points. Specifically, a KG model that was parameterized by Barker and Sprik to the properties of liquid water at 300 K, yields saturated vapor pressures and a critical temperature thatmore » are significantly under- and over-estimated, respectively.« less

  17. Non-porous membrane-assisted liquid-liquid extraction of UV filter compounds from water samples.

    PubMed

    Rodil, Rosario; Schrader, Steffi; Moeder, Monika

    2009-06-12

    A method for the determination of nine UV filter compounds [benzophenone-3 (BP-3), isoamyl methoxycinnamate, 4-methylbenzylidene camphor, octocrylene (OC), butyl methoxydibenzoylmethane, ethylhexyl dimethyl p-aminobenzoate (OD-PABA), ethylhexyl methoxycinnamate (EHMC), ethylhexyl salicylate and homosalate] in water samples was developed and evaluated. The procedure includes non-porous membrane-assisted liquid-liquid extraction (MALLE) and LC-atmospheric pressure photoionization (APPI)-MS/MS. Membrane bags made of different polymeric materials were examined to enable a fast and simple extraction of the target analytes. Among the polymeric materials tested, low- and high-density polyethylene membranes proved to be well suited to adsorb the analytes from water samples. Finally, 2 cm length tailor-made membrane bags were prepared from low-density polyethylene in order to accommodate 100 microL of propanol. The fully optimised protocol provides recoveries from 76% to 101% and limits of detection (LOD) between 0.4 ng L(-1) (OD-PABA) and 16 ng L(-1) (EHMC). The interday repeatability of the whole protocol was below 18%. The effective separation of matrix molecules was proved by only marginal matrix influence during the APPI-MS analysis since no ion suppression effects were observed. During the extraction step, the influence of the matrix was only significant when non-treated wastewater was analysed. The analysis of lake water indicated the presence of seven UV filter compounds included in this study at concentrations between 40 ng L(-1) (BP-3) and 4381 ng L(-1) (OC). In non-treated wastewater several UV filters were also detected at concentration levels as high as 5322 ng L(-1) (OC).

  18. 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 L.

    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.

  19. Dispersive liquid-liquid microextraction applied to isolation and concentration of alkylphenols and their short-chained ethoxylates in water samples.

    PubMed

    Zgoła-Grześkowiak, Agnieszka

    2010-03-12

    Dispersive liquid-liquid microextraction (DLLME) coupled with high-performance liquid chromatography with fluorescence detector was applied for the determination of alkylphenols and their short-chained ethoxylates in water samples. Development of DLLME procedure included optimisation of some important parameters such as kind and volume of extracting and dispersing solvents. Under optimised conditions 50 microL of trichloroethylene in 1.5 mL of acetone were rapidly injected into 5 mL of a water sample. After centrifuging the organic phase containing the analytes was taken for evaporation with a gentle nitrogen purge and reconstituted to 50 microL of acetonitrile. The aliquot of this solution was analysed with the use of HPLC. For octylphenol (OP) and octylphenol ethoxylates (OPEOs) linearity was satisfactory in the range 8-1000 microg L(-1) and for nonylphenol (NP) and nonylphenol ethoxylates (NPEOs) linearity was in the range from 50 to about 3000 microg L(-1). Limit of quantitation was 0.1 microg L(-1) for OP and OPEOs and 0.3 microg L(-1) for NP and NPEOs. Satisfactory recoveries between 66 and 79% were obtained for environmental samples. The results showed that DLLME is a simple, rapid and sensitive analytical method for the preconcentration of trace amounts of alkylphenols and their ethoxylates in environmental water samples. Copyright (c) 2010 Elsevier B.V. All rights reserved.

  20. Salting-out assisted liquid-liquid extraction combined with capillary HPLC for the determination of sulfonylurea herbicides in environmental water and banana juice samples.

    PubMed

    Gure, Abera; Lara, Francisco J; Moreno-González, David; Megersa, Negussie; del Olmo-Iruela, Monsalud; García-Campaña, Ana M

    2014-09-01

    A salting-out assisted liquid-liquid extraction (SALLE) combined with capillary high performance liquid chromatography with diode array detector (capillary HPLC-DAD) was proposed for extraction and determination of residues of nine sulfonylurea herbicides (SUHs) in environmental water and banana juice samples. Various parameters affecting the extraction process such as the type and volume of the organic solvent, sample volume, type and amount of salt, pH of the sample and vortex time were optimized. Under optimum conditions, matrix matched calibration curves were established using river water and banana juice samples. Good linear relationships as well as low limits of detection, LODs (0.4-1.3 and 3-13 µg/L) and quantification, LOQs (1.3-4.3 and 10-43 µg/L) were obtained in water and banana juice samples, respectively. The precision (intra- and inter-day) of the peak areas expressed as relative standard deviations (%, RSD), at two concentration levels were below 10 % in both matrices. Recoveries obtained from spiked environmental waters (river water and groundwater) and banana juice samples, at two concentration levels, ranged from 72 to 115%. The results of the analysis revealed that the proposed SALLE-capillary HPLC method is simple, rapid, cheap and environmentally friendly, being successfully applicable for the determination of SUH residues in waters and banana juices. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. The Calculated and Measured Performance Characteristics of a Heated-Wire Liquid-Water-Content Meter for Measuring Icing Severity

    NASA Technical Reports Server (NTRS)

    Neel, Carr B.; Steinmetz, Charles P.

    1952-01-01

    Ground tests have been made of an instrument which, when assembled in a more compact form for flight installation, could be used to obtain statistical flight data on the liquid-water content of icing clouds and to provide an indication of icing severity. The sensing element of the instrument consists of an electrically heated wire which is mounted in the air stream. The degree of cooling of the wire resulting from evaporation of the impinging water droplets is a measure. of the liquid-water content of the cloud. Determination of the value of the liquid-water content from the wire temperature at any instant requires a knowledge of the airspeed, altitude, and air temperature. An analysis was made of the temperature response of a heated wire exposed to an air stream containing water drops. Comparisons were made of the liquid-water content as measured with several heated wires and absorbent cylinders in an artificially produced cloud. For one of the wires, comparative tests were made with a rotating-disk icing-rate meter in an icing wind tunnel. From the test results, it was shown that an instrument for measuring the concentration of liquid water in an air stream can be built using an electrically heated wire of known temperatureresistance characteristics, and that the performance of such a device can be predicted using appropriate theory. Although an instrument in a form suitable for gathering statistical data in flight was not built, the practicability of constructing such an instrument was illustrated. The ground-test results indicated that a flight heated-wire instrument would be simple and durable, would respond rapidly to variations in liquid-water content, and could be used for the measurement of water content in clouds which are above freezing temperature, as well as in icing clouds.

  2. Seasonal distribution and abundance of cetaceans within French waters- Part II: The Bay of Biscay and the English Channel

    NASA Astrophysics Data System (ADS)

    Laran, Sophie; Authier, Matthieu; Blanck, Aurélie; Doremus, Ghislain; Falchetto, Hélène; Monestiez, Pascal; Pettex, Emeline; Stephan, Eric; Van Canneyt, Olivier; Ridoux, Vincent

    2017-07-01

    From the Habitat Directive to the recent Marine Strategy Framework Directive, the conservation status of cetaceans in European water has been of concern for over two decades. In this study, a seasonal comparison of the abundance and distribution of cetaceans was carried out in two contrasted regions of the Eastern North Atlantic, the Bay of Biscay and the English Channel. Estimates were obtained in the two sub-regions (375,000 km²) from large aerial surveys conducted in the winter (November 2011 to February 2012) and in the summer (May to August 2012). The most abundant species encountered in the Channel, the harbour porpoise, displayed strong seasonal variations in its distribution but a stable abundance (18,000 individuals, CV=30%). In the Bay of Biscay, abundance and distribution patterns of common / striped dolphins varied from 285,000 individuals (95% CI: 174,000-481,000) in the winter, preferentially distributed close to the shelf break, to 494,000 individuals (95% CI: 342,000-719,000) distributed beyond the shelf break in summer. Baleen whales also exhibited an increase of their density in summer. Seasonal abundances of bottlenose dolphins were quite stable, with a large number of 'pelagic' encounters offshore in winter. No significant seasonal difference was estimated for pilot whales and sperm whale. These surveys provided baseline estimates to inform policies to be developed, or for existing conservation instruments such as the Habitats Directive. In addition, our results supported the hypothesis of a shift in the summer distributions of some species such as harbour porpoise and minke whale in European waters.

  3. Hydrothermal conversion of N-acetyl-d-glucosamine to 5-hydroxymethylfurfural using ionic liquid as a recycled catalyst in a water-dimethyl sulfoxide mixture.

    PubMed

    Zang, Hongjun; Yu, Songbai; Yu, Pengfei; Ding, Hongying; Du, Yannan; Yang, Yuchan; Zhang, Yiwen

    2017-04-10

    Here, N-acetyl-d-glucosamine (GlcNAc), the monomer composing the second most abundant biopolymer, chitin, was efficiently converted into 5-hydroxymethylfurfural (5-HMF) using ionic liquid (IL) catalysts in a water/dimethyl sulfoxide (DMSO) mixture solvent. Various reaction parameters, including reaction temperature and time, DMSO/water mass ratios and catalyst dosage were optimized. A series of ILs with different structures were analyzed to explore their impact on GlcNAc conversion. The substrate scope was expanded from GlcNAc to d-glucosamine, chitin, chitosan and monosaccharides, although 5-HMF yields obtained from polymers and other monosaccharides were generally lower than those from GlcNAc. Moreover, the IL N-methylimidazolium hydrogen sulfate ([Hmim][HSO 4 ]) exhibited the best catalyst performance (64.6% yield) when GlcNAc was dehydrated in a DMSO/water mixture at 180 °C for 6 h without the addition of extra catalysts. To summarize, these results could provide knowledge essential to the production of valuable chemicals that are derived from renewable marine resources and benefit biofuel-related applications. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Two-channel microwave radiometer for observations of total column precipitable water vapor and cloud liquid water path

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

    Liljegren, J.C.

    1994-01-01

    The Atmospheric Radiation Measurement (ARM) Program is focused on improving the treatment of radiation transfer in models of the atmospheric general circulation, as well as on improving parameterizations of cloud properties and formation processes in these models (USDOE, 1990). To help achieve these objectives, ARM is deploying several two-channel, microwave radiometers at the Cloud and Radiation Testbed (CART) site in Oklahoma for the purpose of obtaining long time series observations of total precipitable water vapor (PWV) and cloud liquid water path (LWP). The performance of the WVR-1100 microwave radiometer deployed by ARM at the Oklahoma CART site central facility tomore » provide time series measurements precipitable water vapor (PWV) and liquid water path (LWP) has been presented. The instrument has proven to be durable and reliable in continuous field operation since June, 1992. The accuracy of the PWV has been demonstrated to achieve the limiting accuracy of the statistical retrieval under clear sky conditions, degrading with increasing LWP. Improvements are planned to address moisture accumulation on the Teflon window, as well as to identity the presence of clouds with LWP at or below the retrieval uncertainty.« less

  5. Investigating the Relationship Between Liquid Water and Leaf Area in Clonal Populus

    NASA Technical Reports Server (NTRS)

    Roberts, Dar; Brown, K.; Green, R.; Ustin, S.; Hinckley, T.

    1998-01-01

    Leaf Area Index (LAI) is one of the most commonly employed biophysical parameters used to characterize vegetation canopies and scale leaf physiological processes to larger scales. For example, LAI is a critical parameter used in regional scale estimates of evapotranspiration, photosynthesis, primary productivity, and carbon cycling (Running et al., 1989; Dorman and Sellers, 1989; Potter et al., 1993). LAI is typically estimated using ratio-based techniques, such as the Normalized Difference Vegetation Index (NDVI: e.g. Tucker 1979; Asrar et al., 1989; Sellers 1985, 1987). The physical basis behind this relationship depends on the high spectral contrast between scattered near-infrared (NIR) and absorbed red radiation in canopies. As the number of leaves present in a canopy increases over a unit area, NIR reflectance increases, while red reflectance decreases, resulting in an increase in the ratio. Through time series and image compositing, NDVI provides an additional temporal measure of how these parameters change, providing a means to monitor fluxes and productivity (Tucker et al., 1983). NDVI, while highly successful for agriculture and grassland ecosystems has been found to be less successful in evergreen chaparral and forested ecosystems (Badhwar et al., 1986; Gamon et al., 1993; Hall et al., 1995). Typically, the relationship between NDVI and LAI becomes progressively more asymptotic at LAI values above three (Sellers, 1985), although linear relationships have been observed in conifers at LAis as high as 13 (Spanner et al., 1990). In this paper, we explore an alternative approach for estimating LAI for remotely sensed data from AVIRIS based on estimates of canopy liquid water. Our primary objective is to test the hypothesis that the depth of the liquid water bands expressed in canopy reflectance spectra at 960, 1200, 1400 and 1900 nm increases with increasing LAI in canopies. This study builds from work by Roberts et al. (1997), in which liquid water was shown

  6. 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.

  7. 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.

  8. Comparison of three different dispersive liquid-liquid microextraction modes performed on their most usual configurations for the extraction of phenolic, neutral aromatic, and amino compounds from waters.

    PubMed

    Saraji, Mohammad; Ghambari, Hoda

    2018-06-21

    In this work we seek clues to select the appropriate dispersive liquid-liquid microextraction mode for extracting three categories of compounds. For this purpose, three common dispersive liquid-liquid microextraction modes were compared under optimized conditions. Traditional dispersive liquid-liquid microextraction, in situ ionic liquid dispersive liquid-liquid microextraction and conventional ionic liquid dispersive liquid-liquid microextraction using chloroform, 1-butyl-3-methylimidazolium tetrafluoroborate, and 1-hexyl-3-methylimidazolium hexafluorophosphate as the extraction solvent, respectively, were considered in this work. Phenolic, neutral aromatic and amino compounds (each category included six members) were studied as analytes. The analytes in the extracts were determined by high-performance liquid chromatography with UV detection. For the analytes with polar functionalities, the in situ ionic liquid dispersive liquid-liquid microextraction mode mostly led to better results. In contrast, for neutral hydrocarbons without polar functionalities, traditional dispersive liquid-liquid microextraction using chloroform produced better results. In this case, where dispersion forces were the dominant interactions in the extraction, the refractive index of solvent and analyte predicted the extraction performance better than the octanol-water partition coefficient. It was also revealed that none of the methods were successful in extracting very hydrophilic analytes (compounds with the log octanol-water partition coefficient < 2). The results of this study could be helpful in selecting a dispersive liquid-liquid microextraction mode for the extraction of various groups of compounds. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  9. 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

  10. 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.

  11. 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

  12. Direct observation of terahertz surface modes in nanometer-sized liquid water pools.

    PubMed

    Boyd, J E; Briskman, A; Colvin, V L; Mittleman, D M

    2001-10-01

    The far-infrared absorption spectrum of nanometer-sized water pools at the core of AOT micelles exhibits a pronounced resonance which is absent in bulk water. The amplitude and spectral position of this resonance are sensitive to the size of the confined water core. This resonance results from size-dependent modifications in the vibrational density of states, and thus has far-reaching implications for chemical processes which involve water sequestered within small cavities. These data represent the first study of the terahertz dielectric properties of confined liquids.

  13. In-syringe demulsified dispersive liquid-liquid microextraction and high performance liquid chromatography-mass spectrometry for the determination of trace fungicides in environmental water samples.

    PubMed

    Xia, Yating; Cheng, Min; Guo, Feng; Wang, Xiangfang; Cheng, Jing

    2012-04-29

    An in-syringe demulsified dispersive liquid-liquid microextraction (ISD-DLLME) technique was developed using low-density extraction solvents for the highly sensitive determination of the three trace fungicides (azoxystrobin, diethofencarb and pyrimethanil) in water samples by high performance liquid chromatography-mass spectrometry chromatography-diode array detector/electrospray ionisation mass spectrometry. In the proposed technique, a 5-mL syringe was used as an extraction, separation and preconcentration container. The emulsion was obtained after the mixture of toluene (extraction solvent) and methanol (dispersive solvent) was injected into the aqueous bulk of the syringe. The obtained emulsion cleared into two phases without centrifugation, when an aliquot of methanol was introduced as a demulsifier. The separated floating organic extraction solvent was impelled and collected into a pipette tip fitted to the tip of the syringe. Under the optimal conditions, the enrichment factors for azoxystrobin, diethofencarb and pyrimethanil were 239, 200, 195, respectively. The limits of detection, calculated as three times the signal-to-noise ratio (SN(-1)), were 0.026 μg L(-1) for azoxystrobin, 0.071 μg L(-1) for diethofencarb and 0.040 μg L(-1) for pyrimethanil. The repeatability study was carried out by extracting the spiked water samples at concentration levels of 0.02 μg mL(-1) for all the three fungicides. The relative standard deviations varied between 4.9 and 8.2% (n=5). The recoveries of all the three fungicides from tap, lake and rain water samples at spiking levels of 0.2, 1, 5 μg L(-1) were in the range of 90.0-105.0%, 86.0-114.0% and 88.6-110.0%, respectively. The proposed ISD-DLLME technique was demonstrated to be simple, practical and efficient for the determination of different kinds of fungicide residues in real water samples. Copyright © 2012. Published by Elsevier B.V.

  14. Polyoxometalate electrocatalysts based on earth-abundant metals for efficient water oxidation in acidic media

    NASA Astrophysics Data System (ADS)

    Blasco-Ahicart, Marta; Soriano-López, Joaquín; Carbó, Jorge J.; Poblet, Josep M.; Galan-Mascaros, J. R.

    2018-01-01

    Water splitting is a promising approach to the efficient and cost-effective production of renewable fuels, but water oxidation remains a bottleneck in its technological development because it largely relies on noble-metal catalysts. Although inexpensive transition-metal oxides are competitive water oxidation catalysts in alkaline media, they cannot compete with noble metals in acidic media, in which hydrogen production is easier and faster. Here, we report a water oxidation catalyst based on earth-abundant metals that performs well in acidic conditions. Specifically, we report the enhanced catalytic activity of insoluble salts of polyoxometalates with caesium or barium counter-cations for oxygen evolution. In particular, the barium salt of a cobalt-phosphotungstate polyanion outperforms the state-of-the-art IrO2 catalyst even at pH < 1, with an overpotential of 189 mV at 1 mA cm-2. In addition, we find that a carbon-paste conducting support with a hydrocarbon binder can improve the stability of metal-oxide catalysts in acidic media by providing a hydrophobic environment.

  15. 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.

  16. Onset of ice VII phase during ps laser pulse propagation through liquid water

    NASA Astrophysics Data System (ADS)

    Paturi, Prem Kiran; Vaddapally, Rakesh Kumar; Acrhem Team

    2015-06-01

    Water dominantly present in liquid state on earth gets transformed to crystalline polymorphs under different dynamic loading conditions. Out of 15 different crystalline phases discovered till date, ice VII is observed to be stable over wide pressure (2-63 GPa) and temperature (>273 K) ranges. We present the onset of ice VII phase at low threshold of 2 mJ/pulse during 30 ps (532 nm, 10 Hz) laser pulse induced shock propagating through liquid water. Role of input pulse energy on the evolution of Stoke's and anti-Stoke's Raman shift of the dominant A1g mode of ice VII, filamentation, free-electrons, plasma shielding is presented. The H-bond network rearrangement, electron ion energy transfer time coinciding with the excitation pulse duration supported by the filamentation and plasma shielding of the ps laser pulses reduced the threshold of ice VII structure formation. Filamentation and the plasma shielding have shown the localized creation and sustenance of ice VII structure in liquid water over 3 mm length and 50 μm area of cross-section. The work is supported by Defence Research and Developement Organization, India through Grants-in-Aid Program.

  17. Release of liquid water from the Space Shuttle

    NASA Technical Reports Server (NTRS)

    Pike, C. P.; Knecht, D. J.; Viereck, R. A.; Murad, E.; Kofsky, I. L.; Bagian, J. P.; Buchli, J. F.

    1990-01-01

    Groundbased and onboard video images of a sunlit Shuttle Orbiter water dump are interpreted as showing that the continuous 1-mm-diameter liquid stream quickly breaks up in near-vacuum to form ice/snow particles of two characteristic sizes. Discrete large droplets are most evident in the close-in photographs, and unresolved submicron 'fog' from recondensation of overexpanded evaporated water appears to dominate the ground-telescope photographs of the 2.5 km long optically detectable trail. The mean diameter of the smaller particles was estimated from the spatial distribution of visible radiance using a model of their energy balance, (small) surface roughening as they sublime, and Mie scattering of pre-dawn sunlight. The results are consistent with those from recent space-tank simulations.

  18. 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%. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. The isobaric heat capacity of liquid water at low temperatures and high pressures

    NASA Astrophysics Data System (ADS)

    Troncoso, Jacobo

    2017-08-01

    Isobaric heat capacity for water shows a rather strong anomalous behavior, especially at low temperature. However, almost all experimental studies supporting this statement have been carried out at low pressure; very few experimental data were reported above 100 MPa. In order to explore the behavior of this magnitude for water up to 500 MPa, a new heat flux calorimeter was developed. With the aim of testing the experimental methodology and comparing with water results, isobaric heat capacity was also measured for methanol and hexane. Good agreement with indirect heat capacity estimations from the literature was obtained for the three liquids. Experimental results show large anomalies in water heat capacity. This is especially true as regards its temperature dependence, qualitatively different from that observed for other liquids. Heat capacity versus temperature curves show minima for most studied isobars, whose location decreases with the pressure up to around 100 MPa but increases at higher pressures.

  20. 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.

  1. Transient Liquid Water as a Mechanism for Induration of Soil Crusts on Mars

    NASA Technical Reports Server (NTRS)

    Landis, G. A.; Blaney, D.; Cabrol, N.; Clark, B. C.; Farmer, J.; Grotzinger, J.; Greeley, R.; McLennan, S. M.; Richter, L.; Yen, A.

    2004-01-01

    The Viking and the Mars Exploration Rover missions observed that the surface of Mars is encrusted by a thinly cemented layer tagged as "duricrust". A hypothesis to explain the formation of duricrust on Mars should address not only the potential mechanisms by which these materials become cemented, but also the textural and compositional components of cemented Martian soils. Elemental analyzes at five sites on Mars show that these soils have sulfur content of up to 4%, and chlorine content of up to 1%. This is consistent with the presence of sulfates and halides as mineral cements. . For comparison, the rock "Adirondack" at the MER site, after the exterior layer was removed, had nearly five times lower sulfur and chlorine content , and the Martian meteorites have ten times lower sulfur and chlorine content, showing that the soil is highly enriched in the saltforming elements compared with rock.Here we propose two alternative models to account for the origin of these crusts, each requiring the action of transient liquid water films to mediate adhesion and cementation of grains. Two alternative versions of the transient water hypothesis are offered, a top down hypothesis that emphasizes the surface deposition of frost, melting and downward migration of liquid water and a bottom up alternative that proposes the presence of interstitial ice/brine, with the upward capillary migration of liquid water.

  2. Vortex-assisted magnetic β-cyclodextrin/attapulgite-linked ionic liquid dispersive liquid-liquid microextraction coupled with high-performance liquid chromatography for the fast determination of four fungicides in water samples.

    PubMed

    Yang, Miyi; Xi, Xuefei; Wu, Xiaoling; Lu, Runhua; Zhou, Wenfeng; Zhang, Sanbing; Gao, Haixiang

    2015-02-13

    A novel microextraction technique combining magnetic solid-phase microextraction (MSPME) with ionic liquid dispersive liquid-liquid microextraction (IL-DLLME) to determine four fungicides is presented in this work for the first time. The main factors affecting the extraction efficiency were optimized by the one-factor-at-a-time approach and the impacts of these factors were studied by an orthogonal design. Without tedious clean-up procedure, analytes were extracted from the sample to the adsorbent and organic solvent and then desorbed in acetonitrile prior to chromatographic analysis. Under the optimum conditions, good linearity and high enrichment factors were obtained for all analytes, with correlation coefficients ranging from 0.9998 to 1.0000 and enrichment factors ranging 135 and 159 folds. The recoveries for proposed approach were between 98% and 115%, the limits of detection were between 0.02 and 0.04 μg L(-1) and the RSDs changed from 2.96 to 4.16. The method was successfully applied in the analysis of four fungicides (azoxystrobin, chlorothalonil, cyprodinil and trifloxystrobin) in environmental water samples. The recoveries for the real water samples ranged between 81% and 109%. The procedure proved to be a time-saving, environmentally friendly, and efficient analytical technique. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. High-Resolution Electrospray Ionization Mass Spectrometry Analysis of Water- Soluble Organic Aerosols Collected with a Particle into Liquid Sampler

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

    Bateman, Adam P.; Nizkorodov, Serguei; Laskin, Julia

    2010-10-01

    This work demonstrates the utility of a particle-into-liquid sampler (PILS) a technique traditionally used for identification of inorganic ions present in ambient or laboratory aerosols for the analysis of water soluble organic aerosol (OA) using high resolution electrospray ionization mass spectrometry (HR ESI-MS). Secondary organic aerosol (SOA) was produced from 0.5 ppm mixing ratios of limonene and ozone in a 5 m3 Teflon chamber. SOA was collected simultaneously using a traditional filter sampler and a PILS. The filter samples were later extracted with either water or acetonitrile, while the aqueous PILS samples were analyzed directly. In terms of peak intensities,more » types of detectable compounds, average O:C ratios, and organic mass to organic carbon ratios, the resulting high resolution mass spectra were essentially identical for the PILS and filter based samples. SOA compounds extracted from both filter/acetonitrile extraction and PILS/water extraction accounted for >95% of the total ion current in ESI mass spectra. This similarity was attributed to high solubility of limonene SOA in water. In contrast, significant differences in detected ions and peak abundances were observed for pine needle biomass burning organic aerosol (BBOA) collected with PILS and filter sampling. The water soluble fraction of BBOA is considerably smaller than for SOA, and a number of unique peaks were detectable only by the filter/acetonitrile method. The combination of PILS collection with HR-ESI-MS analysis offers a new approach for molecular analysis of the water-soluble organic fraction in biogenic SOA, aged photochemical smog, and BBOA.« less

  4. Effect of water and ionic liquids on biomolecules.

    PubMed

    Saha, Debasis; Mukherjee, Arnab

    2018-02-08

    The remarkable progress in the field of ionic liquids (ILs) in the last two decades has involved investigations on different aspects of ILs in various conditions. The nontoxic and biocompatible nature of ILs makes them a suitable substance for the storage and application of biomolecules. In this regard, the aqueous IL solutions have attracted a large number of studies to comprehend the role of water in modulating various properties of biomolecules. Here, we review some of the recent studies on aqueous ILs that concern the role of water in altering the behavior of ILs in general and in case of biomolecules solvated in ILs. The different structural and dynamic effects caused by water have been highlighted. We discuss the different modes of IL interaction that are responsible for stabilization and destabilization of proteins and enzymes followed by examples of water effect on this. The role of water in the case of nucleic acid storage in ILs, an area which has mostly been underrated, also has been emphasized. Our discussions highlight the fact that the effects of water on IL behavior are not general and are highly dependent on the nature of the IL under consideration. Overall, we aim to draw attention to the significance of water dynamics in the aqueous IL solutions, a better understanding of which can help in developing superior storage materials for application purposes.

  5. The Inferred Distribution of Liquid Water in Europa's Ice Shell: Implications for the Europa Lander Mission

    NASA Astrophysics Data System (ADS)

    Noviello, J. L.; Torrano, Z. A.; Rhoden, A.; Manga, M.

    2017-12-01

    A key objective of the Europa lander mission is to identify liquid water within 30 km of the lander (Europa Lander SDT report, 2017), to provide essential context with which to evaluate samples and enable assessment of Europa's overall habitability. To inform lander mission development, we utilize a model of surface feature formation that invokes liquid water within Europa's ice shell to map out the implied 3D distribution of liquid water and assess the likelihood of a lander to be within 30 km of liquid water given regional variability. Europa's surface displays a variety of microfeatures, also called lenticulae, including pits, domes, spots, and microchaos. A recent model by Manga and Michaut (2017) attributes these features to various stages in the thermal-mechanical evolution of liquid water intrusions (i.e. sills) within the ice shell, from sill emplacement to surface breaching (in the case of microchaos) to freezing of the sill. Pits are of particular interest because they appear only when liquid water is still present. Another key feature of the model is that the size of a microfeature at the surface is controlled by the depth of the sill. Hence, we can apply this model to regions of Europa that contain microfeatures to infer the size, depth, and spatial distribution of liquid water within the ice shell. We are creating a database of microfeatures that includes digitized, collated data from previous mapping efforts along with our own mapping study. We focus on images with 220 m/pixel resolution, which includes the regional mapping data sets. Analysis of a preliminary study area suggests that sills are typically located at depths of 2km or less from the surface. We will present analysis of the full database of microfeatures and the corresponding 3D distribution of sills implied by the model. Our preliminary analysis also shows that pits are clustered in some regions, consistent with previous results, although individual pits are also observed. We apply a

  6. In situ separation of root hydraulic redistribution of soil water from liquid and vapor transport

    Treesearch

    Jeffrey M. Warren; J. Renée Brooks; Maria I. Dragila; Frederick C. Meinzer

    2011-01-01

    Nocturnal increases in water potential and water content in the upper soil profile are often attributed to root water efflux, a process termed hydraulic redistribution (HR). However, unsaturated liquid or vapor flux of water between soil layers independent of roots also contributes to the daily recovery in water content, confounding efforts to determine the actual...

  7. Solid-phase extraction in combination with dispersive liquid-liquid microextraction and ultra-high performance liquid chromatography-tandem mass spectrometry analysis: the ultra-trace determination of 10 antibiotics in water samples.

    PubMed

    Liang, Ning; Huang, Peiting; Hou, Xiaohong; Li, Zhen; Tao, Lei; Zhao, Longshan

    2016-02-01

    A novel method, solid-phase extraction combined with dispersive liquid-liquid microextraction (SPE-DLLME), was developed for ultra-preconcentration of 10 antibiotics in different environmental water samples prior to ultra-high performance liquid chromatography-tandem mass spectrometry detection. The optimized results were obtained as follows: after being adjusted to pH 4.0, the water sample was firstly passed through PEP-2 column at 10 mL min(-1), and then methanol was used to elute the target analytes for the following steps. Dichloromethane was selected as extraction solvent, and methanol/acetonitrile (1:1, v/v) as dispersive solvent. Under optimal conditions, the calibration curves were linear in the range of 1-1000 ng mL(-1) (sulfamethoxazole, cefuroxime axetil), 5-1000 ng mL(-1) (tinidazole), 10-1000 ng mL(-1) (chloramphenicol), 2-1000 ng mL(-1) (levofloxacin oxytetracycline, doxycycline, tetracycline, and ciprofloxacin) and 1-400 ng mL(-1) (sulfadiazine) with a good precision. The LOD and LOQ of the method were at very low levels, below 1.67 and 5.57 ng mL(-1), respectively. The relative recoveries of the target analytes were in the range from 64.16% to 99.80% with relative standard deviations between 0.7 and 8.4%. The matrix effect of this method showed a great decrease compared with solid-phase extraction and a significant value of enrichment factor (EF) compared with dispersive liquid-liquid microextraction. The developed method was successfully applied to the extraction and analysis of antibiotics in different water samples with satisfactory results.

  8. Generation of reactive species in atmospheric pressure dielectric barrier discharge with liquid water

    NASA Astrophysics Data System (ADS)

    Zelong, ZHANG; Jie, SHEN; Cheng, CHENG; Zimu, XU; Weidong, XIA

    2018-04-01

    Atmospheric pressure helium/water dielectric barrier discharge (DBD) plasma is used to investigate the generation of reactive species in a gas-liquid interface and in a liquid. The emission intensity of the reactive species is measured by optical emission spectroscopy (OES) with different discharge powers at the gas-liquid interface. Spectrophotometry is used to analyze the reactive species induced by the plasma in the liquid. The concentration of OH radicals reaches 2.2 μm after 3 min of discharge treatment. In addition, the concentration of primary long-lived reactive species such as H2O2, {{{{NO}}}3}- and O3 are measured based on plasma treatment time. After 5 min of discharge treatment, the concentration of H2O2, {{{{NO}}}3}-, and O3 increased from 0 mg · L-1 to 96 mg · L-1, 19.5 mg · L-1, and 3.5 mg · L-1, respectively. The water treated by plasma still contained a considerable concentration of reactive species after 6 h of storage. The results will contribute to optimizing the DBD plasma system for biological decontamination.

  9. Development and Deployment of a Portable Water Isotope Analyzer for Accurate, Continuous and High-Frequency Oxygen and Hydrogen Isotope Measurements in Water Vapor and Liquid Water

    NASA Astrophysics Data System (ADS)

    Dong, Feng; Baer, Douglas

    2010-05-01

    Stable isotopes of water in liquid and vapor samples are powerful tracers to investigate the hydrological cycle and ecological processes. Therefore, continuous, in-situ and accurate measurements of del_18O and del_2H are critical to advance the understanding of water cycle dynamics around the globe. Furthermore, the combination of meteorological techniques and high-frequency isotopic water measurements can provide detailed time-resolved information on the eco-physiological performance of plants and enable improved understanding of water fluxes at ecosystem scales. In this work, we present recent laboratory development and field deployment of a novel Water Vapor Isotope Analyzer (WVIA), based on cavity enhanced laser absorption spectroscopy, capable of simultaneous in-situ measurements of del_18O and del_2H and water mixing ratio with high precision and high frequency (up to 10 Hz measurement rate). In addition, to ensure the accuracy of the water vapor isotope measurements, a novel Water Vapor Isotope Standard Source (WVISS), based on the instantaneous evaporation of micro-droplets of liquid water (with known isotope composition), has been developed to provide the reference water vapor with widely adjustable mixing ratio (500-30,000 ppmv) for real-time calibration of the WVIA. The comprehensive system that includes the WVIA and WVISS has been validated in extensive laboratory and field studies to be insensitive to ambient temperature changes (5-40 C) and to changes in water mixing ratio over a wide range of mixing ratios. In addition, by operating in the dual inlet mode, measurement drift has essentially been eliminated. The system (WVIA+WVISS) has also been deployed for long-term unattended continuous measurements in the field. In addition to water vapor isotope measurements, the new Water Vapor Isotopic Standard Source (WVISS) may be combined with the WVIA to provide continuous isotopic measurements of liquid water samples at rapid data rate. The availability of

  10. Solvation structures of water in trihexyltetradecylphosphonium-orthoborate ionic liquids

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

    Wang, Yong-Lei, E-mail: wangyonl@gmail.com; System and Component Design, Department of Machine Design, KTH Royal Institute of Technology, SE-100 44 Stockholm; Sarman, Sten

    2016-08-14

    Atomistic molecular dynamics simulations have been performed to investigate effective interactions of isolated water molecules dispersed in trihexyltetradecylphosphonium-orthoborate ionic liquids (ILs). The intrinsic free energy changes in solvating one water molecule from gas phase into bulk IL matrices were estimated as a function of temperature, and thereafter, the calculations of potential of mean force between two dispersed water molecules within different IL matrices were performed using umbrella sampling simulations. The systematic analyses of local ionic microstructures, orientational preferences, probability and spatial distributions of dispersed water molecules around neighboring ionic species indicate their preferential coordinations to central polar segments in orthoboratemore » anions. The effective interactions between two dispersed water molecules are partially or totally screened as their separation distance increases due to interference of ionic species in between. These computational results connect microscopic anionic structures with macroscopically and experimentally observed difficulty in completely removing water from synthesized IL samples and suggest that the introduction of hydrophobic groups to central polar segments and the formation of conjugated ionic structures in orthoborate anions can effectively reduce residual water content in the corresponding IL samples.« less

  11. Molecular dynamics study of polysaccharides in binary solvent mixtures of an ionic liquid and water.

    PubMed

    Liu, Hanbin; Sale, Kenneth L; Simmons, Blake A; Singh, Seema

    2011-09-01

    Some ionic liquids (ILs) have great promise as effective solvents for biomass pretreatment, and there are several that have been reported that can dissolve large amounts of cellulose. The solubilized cellulose can then be recovered by addition of antisolvents, such as water or ethanol, and this regeneration process plays an important role in the subsequent enzymatic saccharification reactions and in the recovery of the ionic liquid. To date, little is known about the fundamental intermolecular interactions that drive the dissolution and subsequent regeneration of cellulose in complex mixtures of ionic liquids, water, and cellulose. To investigate these interactions, in this work, molecular dynamics (MD) simulations were carried out to study binary and ternary mixtures of the ionic liquid 1-ethyl-3-methylimidazolium acetate ([C2mim][OAc]) with water and a cellulose oligomer. Simulations of a cellulose oligomer dissolved in three concentrations of binary mixtures of [C2mim][OAc] and water were used to represent the ternary system in the dissolution phase (high [C2mim][OAc] concentration) and present during the initial phase of the regeneration step (intermediate and low [C2mim][OAc] concentrations). The MD analysis of the structure and dynamics that exist in these binary and ternary mixtures provides information on the key intermolecular interactions between cellulose and [C2mim][OAc] that lead to dissolution of cellulose and the key intermolecular interactions in the intermediate states of cellulose precipitation as a function of water content in the cellulose/IL/water system. The analysis of this intermediate state provides new insight into the molecular driving forces present in this ternary system. © 2011 American Chemical Society

  12. High-accuracy measurement of low-water-content in liquid using NIR spectral absorption method

    NASA Astrophysics Data System (ADS)

    Peng, Bao-Jin; Wan, Xu; Jin, Hong-Zhen; Zhao, Yong; Mao, He-Fa

    2005-01-01

    Water content measurement technologies are very important for quality inspection of food, medicine products, chemical products and many other industry fields. In recent years, requests for accurate low-water-content measurement in liquid are more and more exigent, and great interests have been shown from the research and experimental work. With the development and advancement of modern production and control technologies, more accurate water content technology is needed. In this paper, a novel experimental setup based on near-infrared (NIR) spectral technology and fiber-optic sensor (OFS) is presented. It has a good measurement accuracy about -/+ 0.01%, which is better, to our knowledge, than most other methods published until now. It has a high measurement resolution of 0.001% in the measurement range from zero to 0.05% for water-in-alcohol measurement, and the water-in-oil measurement is carried out as well. In addition, the advantages of this method also include pollution-free to the measured liquid, fast measurement and so on.

  13. Interfacial spreading effects on one-dimensional organic liquid imbibition in water-wetted porous media

    NASA Astrophysics Data System (ADS)

    McBride, J. F.; Simmons, C. S.; Cary, J. W.

    1992-10-01

    The spreading coefficient, Csp, determines whether an organic immiscible liquid, OIL, will form a lens ( Csp < 0) or will spread spontaneously ( Csp > 0) on a water surface. An OIL that forms a lens does not perfectly wet the water surface and therefore has a contact angle greater than 0°. The one-dimensional rate at which an OIL spreads spontaneously on a water surface is proportional to the square root of Csp. Of the OIL's that pose a contaminant threat to the subsurface, the majority has a non-zero Csp. To test the influence of such interfacial spreading phenomena on OIL infiltration in a pristine vadose zone, upward OIL and water imbibition infiltration experiments were performed in glass-bead columns, moistened with water, by using OIL's with different Csp. An analytical model for saturated liquid front rise was used to inversely estimate the effective capillary pressure head at the front and the average liquid conductivity. A nonspreading OIL ( Csp ≪ 0) exhibited a reduced capillary pressure head in the water-wetted glass beads. A spontaneously spreading OIL ( Csp ≫0) manifested an enhanced capillary pressure head. Reduced capillary pressure head was associated with an increase in average conductivity, and enhanced capillary pressure head was associated with a decrease in average conductivity when compared to the average water conductivity during water imbibition. The employed experimental method and mathematical analysis of dynamic flow, subject to interfacial spreading phenomena, are practical for quantifying parameters for use in sharp-front OIL infiltration models, but more research is needed to determine how to incorporate the spreading coefficient in numerical multiphase flow models.

  14. Determination of chloroacetanilide herbicide metabolites in water using high-performance liquid chromatography-diode array detection and high-performance liquid chromatography/mass spectrometry

    USGS Publications Warehouse

    Hostetler, K.A.; Thurman, E.M.

    2000-01-01

    Analytical methods using high-performance liquid chromatography-diode array detection (HPLC-DAD) and high-performance liquid chromatography/mass spectrometry (HPLC/MS) were developed for the analysis of the following chloroacetanilide herbicide metabolites in water: alachlor ethanesulfonic acid (ESA); alachlor oxanilic acid; acetochlor ESA; acetochlor oxanilic acid; metolachlor ESA; and metolachlor oxanilic acid. Good precision and accuracy were demonstrated for both the HPLC-DAD and HPLC/MS methods in reagent water, surface water, and ground water. The average HPLC-DAD recoveries of the chloroacetanilide herbicide metabolites from water samples spiked at 0.25, 0.5 and 2.0 ??g/l ranged from 84 to 112%, with relative standard deviations of 18% or less. The average HPLC/MS recoveries of the metabolites from water samples spiked at 0.05, 0.2 and 2.0 ??g/l ranged from 81 to 118%, with relative standard deviations of 20% or less. The limit of quantitation (LOQ) for all metabolites using the HPLC-DAD method was 0.20 ??g/l, whereas the LOQ using the HPLC/MS method was at 0.05 ??g/l. These metabolite-determination methods are valuable for acquiring information about water quality and the fate and transport of the parent chloroacetanilide herbicides in water. Copyright (C) 2000 Elsevier Science B.V.

  15. Investigating Deliquescence of Mars-like Soils from the Atacama Desert and Implications for Liquid Water Near the Martian Surface

    NASA Astrophysics Data System (ADS)

    Van Alstyne, A. M.; Tolbert, M. A.; Gough, R. V.; Primm, K.

    2017-12-01

    Recent images obtained from orbiters have shown that the Martian surface is more dynamic than previously thought. These images, showing dark features that resemble flowing water near the surface, have called into question the habitability of the Mars today. Recurring slope lineae (RSL), or the dark features seen in these images, are characterized as narrow, dark streaks that form and grow in the warm season, fade in the cold season, and recur seasonally. It is widely hypothesized that the movement of liquid water near the surface is what causes the appearance of RSL. However, the origin of the water and the potential for water to be stable near the surface is a question of great debate. Here, we investigate the potential for stable or metastable liquid water via deliquescence and efflorescence. The deliquescent properties of salts from the Atacama Desert, a popular terrestrial analog for Martian environments, were investigated using a Raman microscope outfitted with an environmental cell. The salts were put under Mars-relevant conditions and spectra were obtained to determine the presence or absence of liquid phases. The appearance of liquid phases under Mars-relevant conditions would demonstrate that liquid water could be available to cause or play a role in the formations of RSL.

  16. Visual observation of gas hydrates nucleation and growth at a water - organic liquid interface

    NASA Astrophysics Data System (ADS)

    Stoporev, Andrey S.; Semenov, Anton P.; Medvedev, Vladimir I.; Sizikov, Artem A.; Gushchin, Pavel A.; Vinokurov, Vladimir A.; Manakov, Andrey Yu.

    2018-03-01

    Visual observation of nucleation sites of methane and methane-ethane-propane hydrates and their further growth in water - organic liquid - gas systems with/without surfactants was carried out. Sapphire Rocking Cell RCS6 with transparent sapphire cells was used. The experiments were conducted at the supercooling ΔTsub = 20.2 °C. Decane, toluene and crude oils were used as organics. Gas hydrate nucleation occurred on water - metal - gas and water - sapphire - organic liquid three-phase contact lines. At the initial stage of growth hydrate crystals rapidly covered the water - gas or water - organics interfaces (depending on the nucleation site). Further hydrate phase accrete on cell walls (sapphire surface) and into the organics volume. At this stage, growth was accompanied by water «drawing out» from under initial hydrate film formed at water - organic interface. Apparently, it takes place due to water capillary inflow in the reaction zone. It was shown that the hydrate crystal morphology depends on the organic phase composition. In the case of water-in-decane emulsion relay hydrate crystallization was observed in the whole sample, originating most likely due to the hydrate crystal intergrowth through decane. Contacts of such crystals with adjacent water droplets result in rapid hydrate crystallization on this droplet.

  17. 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.

  18. Microwave Ground-Based Retrievals of Liquid Water Path in Drizzling Clouds: Challenges and Possibilities

    NASA Astrophysics Data System (ADS)

    Cadeddu, M. P.; Marchand, R.; Orlandi, E.; Turner, D. D.; Mech, M.

    2016-12-01

    The retrieval of liquid water path (LWP) during drizzle and rain from ground-based microwave radiometers presents several challenges that have not been entirely solved. Ground-based microwave radiometers have been traditionally used to retrieve cloud LWP assuming non-precipitating conditions. Yet retrieval of liquid water path under light rain and possibly the partition of total liquid water path among cloud and rain are very important to study cloud properties because the presence of drizzle affects for example the cloud's lifetime. Improving the LWP retrieval during drizzle and possibly partitioning cloud and rain LWP is therefore highly desirable. In precipitating clouds the raindrop's size is of the same order of magnitude of the wavelength sampled by the instrument and the effects of hydrometeor's scattering can't be neglected. In this paper we model the effect of scattering hydrometeors on radiometric brightness temperatures commonly used in LWP retrievals and develop a physical retrieval to derive precipitable water vapor (PWV), total LWP, and the fraction of cloud and rain liquid water (Cf) from microwave brightness temperatures at three commonly used frequencies. The retrieval is first applied to a set of synthetic measurements and is then used to retrieve PWV, LWP, and Cf in two drizzling cases at the Atmospheric Radiation Measurement (ARM) Program Eastern North Atlantic (ENA) site. Results show that there is useful information in the microwave brightness temperatures that can be used to reduce LWP retrieval uncertainty during light rain and can open the path for a better integration of active and passive sensors. The effect of raindrops on the radiometer's lens is examined with the help of a digital camera and experimental data. A possible way to account for raindrop deposition on the instrument's lens is suggested.

  19. Laser ablated copper plasmas in liquid and gas ambient

    NASA Astrophysics Data System (ADS)

    Kumar, Bhupesh; Thareja, Raj K.

    2013-05-01

    The dynamics of copper ablated plasma plumes generated using laser ablation of copper targets in both liquid (de-ionized water) and gas (air) ambients is reported. Using time and space resolved visible emission spectroscopy (450-650 nm), the plasma plumes parameters are investigated. The electron density (ne) determined using Stark broadening of the Cu I (3d104d1 2D3/2-3d104p1 2P3/2 at 521.8 nm) line is estimated and compared for both plasma plumes. The electron temperature (Te) was estimated using the relative line emission intensities of the neutral copper transitions. Field emission scanning electron microscopy and energy dispersive x-ray spectral analysis of the ablated copper surface indicated abundance of spherical nanoparticles in liquid while those in air are amalgamates of irregular shapes. The nanoparticles suspended in the confining liquid form aggregates and exhibit a surface plasmon resonance at ˜590 nm.

  20. Electrically tunable spatially variable switching in ferroelectric liquid crystal/water system

    NASA Astrophysics Data System (ADS)

    Choudhary, A.; Coondoo, I.; Prakash, J.; Sreenivas, K.; Biradar, A. M.

    2009-04-01

    An unusual switching phenomenon in the region outside conducting patterned area in ferroelectric liquid crystal (FLC) containing about 1-2 wt % of water has been observed. The presence of water in the studied heterogeneous system was confirmed by Fourier transform infrared spectroscopy. The observed optical studies have been emphasized on the "spatially variable switching" phenomenon of the molecules in the nonconducting region of the cell. The observed phenomenon is due to diffusion of water between the smectic layers of the FLC and the interaction of the curved electric field lines with the FLC molecules in the nonconducting region.

  1. Nature of the anomalies in the supercooled liquid state of the mW model of water.

    PubMed

    Holten, Vincent; Limmer, David T; Molinero, Valeria; Anisimov, Mikhail A

    2013-05-07

    The thermodynamic properties of the supercooled liquid state of the mW model of water show anomalous behavior. Like in real water, the heat capacity and compressibility sharply increase upon supercooling. One of the possible explanations of these anomalies, the existence of a second (liquid-liquid) critical point, is not supported by simulations for this model. In this work, we reproduce the anomalies of the mW model with two thermodynamic scenarios: one based on a non-ideal "mixture" with two different types of local order of the water molecules, and one based on weak crystallization theory. We show that both descriptions accurately reproduce the model's basic thermodynamic properties. However, the coupling constant required for the power laws implied by weak crystallization theory is too large relative to the regular backgrounds, contradicting assumptions of weak crystallization theory. Fluctuation corrections outside the scope of this work would be necessary to fit the forms predicted by weak crystallization theory. For the two-state approach, the direct computation of the low-density fraction of molecules in the mW model is in agreement with the prediction of the phenomenological equation of state. The non-ideality of the "mixture" of the two states never becomes strong enough to cause liquid-liquid phase separation, also in agreement with simulation results.

  2. Nature of the anomalies in the supercooled liquid state of the mW model of water

    NASA Astrophysics Data System (ADS)

    Holten, Vincent; Limmer, David T.; Molinero, Valeria; Anisimov, Mikhail A.

    2013-05-01

    The thermodynamic properties of the supercooled liquid state of the mW model of water show anomalous behavior. Like in real water, the heat capacity and compressibility sharply increase upon supercooling. One of the possible explanations of these anomalies, the existence of a second (liquid-liquid) critical point, is not supported by simulations for this model. In this work, we reproduce the anomalies of the mW model with two thermodynamic scenarios: one based on a non-ideal "mixture" with two different types of local order of the water molecules, and one based on weak crystallization theory. We show that both descriptions accurately reproduce the model's basic thermodynamic properties. However, the coupling constant required for the power laws implied by weak crystallization theory is too large relative to the regular backgrounds, contradicting assumptions of weak crystallization theory. Fluctuation corrections outside the scope of this work would be necessary to fit the forms predicted by weak crystallization theory. For the two-state approach, the direct computation of the low-density fraction of molecules in the mW model is in agreement with the prediction of the phenomenological equation of state. The non-ideality of the "mixture" of the two states never becomes strong enough to cause liquid-liquid phase separation, also in agreement with simulation results.

  3. 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

  4. Superhydrophobic meshes that can repel hot water and strong corrosive liquids used for efficient gravity-driven oil/water separation.

    PubMed

    Li, Jian; Kang, Ruimei; Tang, Xiaohua; She, Houde; Yang, Yaoxia; Zha, Fei

    2016-04-14

    Oil-polluted water has become a worldwide problem due to increasing industrial oily wastewater as well as frequent oil-spill pollution. Compared with underwater superoleophobic (water-removing) filtration membranes, superhydrophobic/superoleophilic (oil-removing) materials have advantages as they can be used for the filtration of heavy oil or the absorption of floating oil from water/oil mixtures. However, most of the superhydrophobic materials used for oil/water separation lose their superhydrophobicity when exposed to hot (e.g. >50 °C) water and strong corrosive liquids. Herein, we demonstrate superhydrophobic overlapped candle soot (CS) and silica coated meshes that can repel hot water (about 92 °C) and strong corrosive liquids, and were used for the gravity driven separation of oil-water mixtures in hot water and strong acidic, alkaline, and salty environments. To the best of our knowledge, we are unaware of any previously reported studies on the use of superhydrophobic materials for the separation of oil from hot water and corrosive aqueous media. In addition, the as-prepared robust superhydrophobic CS and silica coated meshes can separate a series of oils and organic solvents like kerosene, toluene, petroleum ether, heptane and chloroform from water with a separation efficiency larger than 99.0%. Moreover, the as-prepared coated mesh still maintained a separation efficiency above 98.5% and stable recyclability after 55 cycles of separation. The robust superhydrophobic meshes developed in this work can therefore be practically used as a highly efficient filtration membrane for the separation of oil from harsh water conditions, benefiting the environment and human health.

  5. [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.

  6. Structure of water at zwitterionic copolymer film-liquid water interfaces as examined by the sum frequency generation method.

    PubMed

    Kondo, Takuya; Nomura, Kouji; Gemmei-Ide, Makoto; Kitano, Hiromi; Noguchi, Hidenori; Uosaki, Kohei; Saruwatari, Yoshiyuki

    2014-01-01

    A copolymer film composed of zwitterionic carboxymethylbetaine (CMB) and n-butyl methacrylate (BMA), Poly(CMB-r-BMA), was cast on a flat plane of an octadecyltrichlorosilane (ODS)-modified fused quartz prism with a semi-cylindrical shape. CH stretching of the polymer film and O-H stretching of water at the surface of the film were examined using the sum frequency generation (SFG) technique. The C-H stretching band of the cast film, indicating a gauche defect of the film, was affected by the contact medium including dry nitrogen, water vapor-saturated nitrogen and liquid water. In contrast, the C-H stretching of an octadecyl group introduced onto the quartz prism for stable attachment of the cast film was not significantly changed by the contact medium. The O-H stretching band indicated that water molecules at the surface of the Poly(CMB-r-BMA) film in contact with liquid water were not greatly oriented in comparison with those at the surfaces of a bare prism, an ODS SAM-modified prism, and a prism covered with a PolyBMA film or a copolymer film of BMA and methacrylic acid or 2-(dimethylamino)ethyl methacrylate. A similar small perturbation of the structure of water was previously observed in the vicinity of water-soluble zwitterionic polymers and zwitterionic copolymer films using Raman and attenuated total reflection infrared spectroscopies, respectively. A distinct effect of charge neutralization to diminish the perturbation of the structure of interfacial water around polymer materials was suggested. Copyright © 2013 Elsevier B.V. All rights reserved.

  7. Simultaneous dispersive liquid-liquid microextraction derivatisation and gas chromatography mass spectrometry analysis of subcritical water extracts of sweet and sour cherry stems.

    PubMed

    Švarc-Gajić, Jaroslava; Clavijo, Sabrina; Suárez, Ruth; Cvetanović, Aleksandra; Cerdà, Víctor

    2018-03-01

    Cherry stems have been used in traditional medicine mostly for the treatment of urinary tract infections. Extraction with subcritical water, according to its selectivity, efficiency and other aspects, differs substantially from conventional extraction techniques. The complexity of plant subcritical water extracts is due to the ability of subcritical water to extract different chemical classes of different physico-chemical properties and polarities in a single run. In this paper, dispersive liquid-liquid microextraction (DLLME) with simultaneous derivatisation was optimised for the analysis of complex subcritical water extracts of cherry stems to allow simple and rapid preparation prior to gas chromatography-mass spectrometry (GC-MS). After defining optimal extracting and dispersive solvents, the optimised method was used for the identification of compounds belonging to different chemical classes in a single analytical run. The developed sample preparation protocol enabled simultaneous extraction and derivatisation, as well as convenient coupling with GC-MS analysis, reducing the analysis time and number of steps. The applied analytical protocol allowed simple and rapid chemical screening of subcritical water extracts and was used for the comparison of subcritical water extracts of sweet and sour cherry stems. Graphical abstract DLLME GC MS analysis of cherry stem extracts obtained by subcritical water.

  8. Capture-recapture abundance and survival estimates of three cetacean species in Icelandic coastal waters using trained scientist-volunteers

    NASA Astrophysics Data System (ADS)

    Bertulli, Chiara G.; Guéry, Loreleï; McGinty, Niall; Suzuki, Ailie; Brannan, Naomi; Marques, Tania; Rasmussen, Marianne H.; Gimenez, Olivier

    2018-01-01

    Knowledge of abundance and survival of humpback whales, white-beaked dolphins and minke whales are essential to manage and conserve these species in Icelandic coastal shelf waters. Our main goal was to test the feasibility of employing inexpensive research methods (data collected by trained-scientist volunteers onboard opportunistic vessels) to assess abundance and apparent survival. No previous studies in Iceland have investigated these two demographic parameters in these three cetacean species using open capture-recapture models accounting for imperfect and possibly heterogeneous detection. A transient effect was accounted for whenever required to estimate the population of resident individuals. Identification photographs were collected by scientist-trained volunteers for 7 years (2006-2013) from onboard commercial whale-watching vessels in the coastal waters of Faxaflói (southwest coast, 4400 km2) and Skjálfandi (northeast coast, 1100 km2), Iceland. We estimated an average abundance of 83 humpback whales (Mn; 95% confidence interval: 54-130) in Skjálfandi; 238 white-beaked dolphins (La; [163-321]) in Faxaflói; and 67 minke whales (Ba; [53-82]) in Faxaflói and 24 (14-31) in Skjálfandi. We also found that apparent survival was constant for all three species (Mn: 0.52 [0.41-0.63], La: 0.79 [0.64-0.88], Ba-Faxaflói: 0.80 [0.67-0.88], Ba-Skjálfandi: 0.96 [0.60-0.99]). Our results showed inter-annual variation in abundance estimates which were small for all species, and the presence of transience for minke whales. A significant increase in abundance during the study period was solely found in minke whale data from Skjálfandi. Humpback whales and white-beaked dolphins showed lower apparent survival rates compared to similar baleen whale and dolphin populations. Our results show data collected by trained-scientist volunteers can produce viable estimates of abundance and survival although bias in the methods we employed exist and need to be addressed. With the

  9. 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.

  10. Measuring snow liquid water content with low-cost GPS receivers.

    PubMed

    Koch, Franziska; Prasch, Monika; Schmid, Lino; Schweizer, Jürg; Mauser, Wolfram

    2014-11-06

    The amount of liquid water in snow characterizes the wetness of a snowpack. Its temporal evolution plays an important role for wet-snow avalanche prediction, as well as the onset of meltwater release and water availability estimations within a river basin. However, it is still a challenge and a not yet satisfyingly solved issue to measure the liquid water content (LWC) in snow with conventional in situ and remote sensing techniques. We propose a new approach based on the attenuation of microwave radiation in the L-band emitted by the satellites of the Global Positioning System (GPS). For this purpose, we performed a continuous low-cost GPS measurement experiment at the Weissfluhjoch test site in Switzerland, during the snow melt period in 2013. As a measure of signal strength, we analyzed the carrier-to-noise power density ratio (C/N0) and developed a procedure to normalize these data. The bulk volumetric LWC was determined based on assumptions for attenuation, reflection and refraction of radiation in wet snow. The onset of melt, as well as daily melt-freeze cycles were clearly detected. The temporal evolution of the LWC was closely related to the meteorological and snow-hydrological data. Due to its non-destructive setup, its cost-efficiency and global availability, this approach has the potential to be implemented in distributed sensor networks for avalanche prediction or basin-wide melt onset measurements.

  11. Climatic Implications of the Observed Temperature Dependence of the Liquid Water Path of Low Clouds

    NASA Technical Reports Server (NTRS)

    DelGenio, Anthony

    1999-01-01

    The uncertainty in the global climate sensitivity to an equilibrium doubling of carbon dioxide is often stated to be 1.5-4.5 K, largely due to uncertainties in cloud feedbacks. The lower end of this range is based on the assumption or prediction in some GCMs that cloud liquid water behaves adiabatically, thus implying that cloud optical thickness will increase in a warming climate if the physical thickness of clouds is invariant. Satellite observations of low-level cloud optical thickness and liquid water path have challenged this assumption, however, at low and middle latitudes. We attempt to explain the satellite results using four years of surface remote sensing data from the Atmospheric Radiation Measurements (ARM) Cloud And Radiation Testbed (CART) site in the Southern Great Plains. We find that low cloud liquid water path is insensitive to temperature in winter but strongly decreases with temperature in summer. The latter occurs because surface relative humidity decreases with warming, causing cloud base to rise and clouds to geometrically thin. Meanwhile, inferred liquid water contents hardly vary with temperature, suggesting entrainment depletion. Physically, the temperature dependence appears to represent a transition from higher probabilities of stratified boundary layers at cold temperatures to a higher incidence of convective boundary layers at warm temperatures. The combination of our results and the earlier satellite findings imply that the minimum climate sensitivity should be revised upward from 1.5 K.

  12. Separation of Lignin from Corn Stover Hydrolysate with Quantitative Recovery of Ionic Liquid

    PubMed Central

    Underkofler, Kaylee A.; Teixeira, Rodrigo E.; Pietsch, Stephen A.; Knapp, Kurtis G.; Raines, Ronald T.

    2015-01-01

    Abundant lignocellulosic biomass could become a source of sugars and lignin, potential feedstocks for the now emergent bio-renewable economy. The production and conversion of sugars from biomass have been well-studied, but far less is known about the production of lignin that is amenable to valorization. Here we report the isolation of lignin generated from the hydrolysis of biomass dissolved in the ionic liquid 1-butyl-3-methylimidazolium chloride. We show that lignin can be isolated from the hydrolysate slurry by simple filtration or centrifugation, and that the ionic liquid can be recovered quantitatively by a straightforward wash with water. The isolated lignin is not only free from ionic liquid, but also lacks cellulosic residues and is substantially depolymerized, making it a promising feedstock for valorization by conversion into fuels and chemicals. PMID:25866701

  13. Contrasting Secondary Organic Aerosol Formation in Aerosol Liquid Water During Summer and Winter

    NASA Astrophysics Data System (ADS)

    El-Sayed, M.; Hennigan, C. J.

    2017-12-01

    In this study, we characterize the formation of aqueous secondary organic aerosols (aqSOA) in the eastern United States during summer and winter. The aim was to identify the main factors affecting the reversible and irreversible uptake of water-soluble organic gases to aerosol liquid water under variable influence from biogenic and anthropogenic sources. The reversible and irreversible uptake of water-soluble organic gases to aerosol water was measured in Baltimore, MD using a recently developed on-line method. The formation of aqSOA was observed during the summer and the winter; however, the amount of aqSOA varied significantly between the two seasons, as did the reversible and irreversible nature of the uptake. While the availability of aerosol liquid water (ALW) predominantly controlled aqSOA formation in the summer, wintertime aqSOA formation was limited by precursor VOCs as well. During the summer, aqSOA formation was tightly linked with isoprene oxidation, while the aqSOA formed in the winter was associated with biomass burning. Irreversible aqSOA was formed in both seasons; however, reversible aqSOA was only observed in the summer. Overall, these results demonstrate the importance of multi-phase chemistry in aerosol formation and underscore the significance of soluble organic gases partitioning to aerosol water both reversibly and irreversibly.

  14. Molecular size-dependent abundance and composition of dissolved organic matter in river, lake and sea waters.

    PubMed

    Xu, Huacheng; Guo, Laodong

    2017-06-15

    Dissolved organic matter (DOM) is ubiquitous in natural waters. The ecological role and environmental fate of DOM are highly related to the chemical composition and size distribution. To evaluate size-dependent DOM quantity and quality, water samples were collected from river, lake, and coastal marine environments and size fractionated through a series of micro- and ultra-filtrations with different membranes having different pore-sizes/cutoffs, including 0.7, 0.4, and 0.2 μm and 100, 10, 3, and 1 kDa. Abundance of dissolved organic carbon, total carbohydrates, chromophoric and fluorescent components in the filtrates decreased consistently with decreasing filter/membrane cutoffs, but with a rapid decline when the filter cutoff reached 3 kDa, showing an evident size-dependent DOM abundance and composition. About 70% of carbohydrates and 90% of humic- and protein-like components were measured in the <3 kDa fraction in freshwater samples, but these percentages were higher in the seawater sample. Spectroscopic properties of DOM, such as specific ultraviolet absorbance, spectral slope, and biological and humification indices also varied significantly with membrane cutoffs. In addition, different ultrafiltration membranes with the same manufacture-rated cutoff also gave rise to different DOM retention efficiencies and thus different colloidal abundances and size spectra. Thus, the size-dependent DOM properties were related to both sample types and membranes used. Our results here provide not only baseline data for filter pore-size selection when exploring DOM ecological and environmental roles, but also new insights into better understanding the physical definition of DOM and its size continuum in quantity and quality in aquatic environments. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Thermal Conductivity of Liquid Water from Reverse Nonequilibrium Ab Initio Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Tsuchida, Eiji

    2018-02-01

    We report on a theoretical framework for calculating the thermal conductivity of liquid water from first principles with the aid of the linear scaling method. We also discuss the possibility of obtaining equilibrium properties from a nonequilibrium trajectory.

  16. An Eight-Month Sample of Marine Stratocumulus Cloud Fraction, Albedo, and Integrated Liquid Water.

    NASA Astrophysics Data System (ADS)

    Fairall, C. W.; Hare, J. E.; Snider, J. B.

    1990-08-01

    As part of the First International Satellite Cloud Climatology Regional Experiment (FIRE), a surface meteorology and shortwave/longwave irradiance station was operated in a marine stratocumulus regime on the northwest tip of San Nicolas island off the coast of Southern California. Measurements were taken from March through October 1987, including a FIRE Intensive Field Operation (IFO) held in July. Algorithms were developed to use the longwave irradiance data to estimate fractional cloudiness and to use the shortwave irradiance to estimate cloud albedo and integrated cloud liquid water content. Cloud base height is estimated from computations of the lifting condensation level. The algorithms are tested against direct measurements made during the IFO; a 30% adjustment was made to the liquid water parameterization. The algorithms are then applied to the entire database. The stratocumulus clouds over the island are found to have a cloud base height of about 400 m, an integrated liquid water content of 75 gm2, a fractional cloudiness of 0.95, and an albedo of 0.55. Integrated liquid water content rarely exceeds 350 g m2 and albedo rarely exceeds 0.90 for stratocumulus clouds. Over the summer months, the average cloud fraction shows a maximum at sunrise of 0.74 and a minimum at sunset of 0.41. Over the same period, the average cloud albedo shows a maximum of 0.61 at sunrise and a minimum of 0.31 a few hours after local noon (although the estimate is more uncertain because of the extreme solar zenith angle). The use of joint frequency distributions of fractional cloudiness with solar transmittance or cloud base height to classify cloud types appears to be useful.

  17. Multi-residue method for determination of 58 pesticides, pharmaceuticals and personal care products in water using solvent demulsification dispersive liquid-liquid microextraction combined with liquid chromatography-tandem mass spectrometry.

    PubMed

    Caldas, Sergiane Souza; Rombaldi, Caroline; Arias, Jean Lucas de Oliveira; Marube, Liziane Cardoso; Primel, Ednei Gilberto

    2016-01-01

    A rapid and efficient sample pretreatment using solvent-based de-emulsification dispersive liquid-liquid microextraction (SD-DLLME) coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS) was studied for the extraction of 58 pharmaceuticals and personal care products (PPCPs) and pesticides from water samples. Type and volume of extraction and disperser solvents, pH, salt addition, amount of salt and type of demulsification solvent were evaluated. Limits of quantification (LOQ) in the range from 0.0125 to 1.25 µg L(-1) were reached, and linearity was in the range from the LOQ of each compound to 25 μg L(-1). Recoveries ranged from 60% to 120% for 84% of the compounds, with relative standard deviations lower than 29%. The proposed method demonstrated, for the first time, that sample preparation by SD-DLLME with determination by LC-MS/MS can be successfully used for the simultaneous extraction of 32 pesticides and 26 PPCPs from water samples. The entire procedure, including the extraction of 58 organic compounds from the aqueous sample solution and the breaking up of the emulsion after extraction with water, rather than with an organic solvent, was environmentally friendly. In addition, this technique was less expensive and faster than traditional techniques. Finally, the analytical method under study was successfully applied to the analysis of all 58 pesticides and PPCPs in surface water samples. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Liquid Water on Enceladus from Observations of Ammonia and Ar-40 in the Plume

    NASA Technical Reports Server (NTRS)

    Waite, J. H., Jr.; Lewis, W. S.; Magee, B. A.; Lunine, J. I.; McKinnon, W. B.; Glein, C. R.; Mousis, O.; Young, D. T.; Brockwell, T.; Westlake, J.; hide

    2009-01-01

    Jets of water ice from surface fractures near the south pole of Saturn's icy moon Enceladus produce a plume of gas and particles. The source of the jets may be a liquid water region under the ice shell-as suggested most recently by the discovery of salts in E-ring particles derived from the plume-or warm ice that is heated, causing dissociation of clathrate hydrates. Here we report that ammonia is present in the plume, along with various organic compounds, deuterium and, very probably, Ar-40. The presence of ammonia provides strong evidence for the existence of at least some liquid water, given that temperatures in excess of 180 K have been measured near the fractures from which the jets emanate. We conclude, from the overall composition of the material, that the plume derives from both a liquid reservoir (or from ice that in recent geological time has been in contact with such a reservoir) as well as from degassing, volatile-charged ice. As part of a general comprehensive review of the midsize saturnian satellites at the conclusion of the prime Cassini mission, PI McKinnon and co-I Barr contributed to three review chapters.

  19. Application of an immobilized ionic liquid for the passive sampling of perfluorinated substances in water.

    PubMed

    Wang, Lei; Gong, Xinying; Wang, Ruonan; Gan, Zhiwei; Lu, Yuan; Sun, Hongwen

    2017-09-15

    Ionic liquids have been used to efficiently extract a wide range of polar and nonpolar organic contaminants from water. In this study, imidazole ionic liquids immobilized on silica gel were synthesized through a chemical bonding method, and the immobilized dodecylimidazolium ionic liquid was selected as the receiving phase material in a POCIS (polar organic chemical integrative sampler) like passive sampler to monitor five perfluoroalkyl substances (PFASs) in water. Twenty-one days of integrative accumulation was conducted in laboratory scale experiments, and the accumulated PFASs in the samplers were eluted and analyzed by high performance liquid chromatography coupled with tandem mass spectrometry (HPLC-MS/MS). The partitioning coefficients of most PFASs between sampler sorbents and water in the immobilized ionic liquid (IIL)-sampler were higher than those in the HLB-sampler, especially for compounds with shorter alkyl chains. The effects of flow velocity, temperature, dissolved organic matter (DOM) and pH on the uptake of these analytes were also evaluated. Under the experimental conditions, the uptake of PFASs in the IIL-sampler slightly increased with the flow velocity and temperature, while different influences of DOM and pH on the uptake of PFAS homologues with short or long chains were observed. The designed IIL-samplers were applied in the influent and effluent of a wastewater treatment plant. All five PFASs could be accumulated in the samplers, with concentrations ranging from 6.5×10 -3 -3.6×10 -1 nmol/L in the influent and from 1.3×10 -2 -2.2×10 -1 nmol/L in the effluent. The calculated time-weighted average concentrations of most PFASs fit well with the detected concentrations of the active sampling, indicating the applicability of the IIL-sampler in monitoring these compounds in water. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Evaluation of bacterial pathogen diversity, abundance and health risks in urban recreational water by amplicon next-generation sequencing and quantitative PCR.

    PubMed

    Cui, Qijia; Fang, Tingting; Huang, Yong; Dong, Peiyan; Wang, Hui

    2017-07-01

    The microbial quality of urban recreational water is of great concern to public health. The monitoring of indicator organisms and several pathogens alone is not sufficient to accurately and comprehensively identify microbial risks. To assess the levels of bacterial pathogens and health risks in urban recreational water, we analyzed pathogen diversity and quantified four pathogens in 46 water samples collected from waterbodies in Beijing Olympic Forest Park in one year. The pathogen diversity revealed by 16S rRNA gene targeted next-generation sequencing (NGS) showed that 16 of 40 genera and 13 of 76 reference species were present. The most abundant species were Acinetobacter johnsonii, Mycobacterium avium and Aeromonas spp. Quantitative polymerase chain reaction (qPCR) of Escherichia coli (uidA), Aeromonas (aerA), M. avium (16S rRNA), Pseudomonas aeruginosa (oaa) and Salmonella (invA) showed that the aerA genes were the most abundant, occurring in all samples with concentrations of 10 4-6 genome copies/100mL, followed by oaa, invA and M. avium. In total, 34.8% of the samples harbored all genes, indicating the prevalence of these pathogens in this recreational waterbody. Based on the qPCR results, a quantitative microbial risk assessment (QMRA) showed that the annual infection risks of Salmonella, M. avium and P. aeruginosa in five activities were mostly greater than the U.S. EPA risk limit for recreational contacts, and children playing with water may be exposed to the greatest infection risk. Our findings provide a comprehensive understanding of bacterial pathogen diversity and pathogen abundance in urban recreational water by applying both NGS and qPCR. Copyright © 2016. Published by Elsevier B.V.

  1. Trace determination of volatile polycyclic aromatic hydrocarbons in natural waters by magnetic ionic liquid-based stir bar dispersive liquid microextraction.

    PubMed

    Benedé, Juan L; Anderson, Jared L; Chisvert, Alberto

    2018-01-01

    In this work, a novel hybrid approach called stir bar dispersive liquid microextraction (SBDLME) that combines the advantages of stir bar sorptive extraction (SBSE) and dispersive liquid-liquid microextraction (DLLME) has been employed for the accurate and sensitive determination of ten polycyclic aromatic hydrocarbons (PAHs) in natural water samples. The extraction is carried out using a neodymium stir bar magnetically coated with a magnetic ionic liquid (MIL) as extraction device, in such a way that the MIL is dispersed into the solution at high stirring rates. Once the stirring is ceased, the MIL is magnetically retrieved onto the stir bar, and subsequently subjected to thermal desorption (TD) coupled to a gas chromatography-mass spectrometry (GC-MS) system. The main parameters involved in TD, as well as in the extraction step affecting the extraction efficiency (i.e., MIL amount, extraction time and ionic strength) were evaluated. Under the optimized conditions, the method was successfully validated showing good linearity, limits of detection and quantification in the low ng L -1 level, good intra- and inter-day repeatability (RSD < 13%) and good enrichment factors (18 - 717). This sensitive analytical method was applied to the determination of trace amounts of PAHs in three natural water samples (river, tap and rainwater) with satisfactory relative recovery values (84-115%), highlighting that the matrices under consideration do not affect the extraction process. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Climatic Implications of the Observed Temperature Dependence of the Liquid Water Path of Low Clouds in the Southern Great Plains

    NASA Technical Reports Server (NTRS)

    DelGenio, Anthony

    1999-01-01

    Satellite observations of low-level clouds have challenged the assumption that adiabatic liquid water content combined with constant physical thickness will lead to a negative cloud optics feedback in a decadal climate change. We explore the reasons for the satellite results using four years of surface remote sensing data from the Atmospheric Radiation Measurement Program Cloud and Radiation Testbed site in the Southern Great Plains of the United States. We find that low cloud liquid water path is approximately invariant with temperature in winter but decreases strongly with temperature in summer, consistent with the satellite inferences at this latitude. This behavior occurs because liquid water content shows no detectable temperature dependence while cloud physical thickness decreases with warming. Thinning of clouds with warming is observed on seasonal, synoptic, and diurnal time scales; it is most obvious in the warm sectors of baroclinic waves. Although cloud top is observed to slightly descend with warming, the primary cause of thinning, is the ascent of cloud base due to the reduction in surface relative humidity and the concomitant increase in the lifting condensation level of surface air. Low cloud liquid water path is not observed to be a continuous function of temperature. Rather, the behavior we observe is best explained as a transition in the frequency of occurrence of different boundary layer types. At cold temperatures, a mixture of stratified and convective boundary layers is observed, leading to a broad distribution of liquid water path values, while at warm temperatures, only convective boundary layers with small liquid water paths, some of them decoupled, are observed. Our results, combined with the earlier satellite inferences, imply that the commonly quoted 1.5C lower limit for the equilibrium global climate sensitivity to a doubling of CO2 which is based on models with near-adiabatic liquid water behavior and constant physical thickness

  3. Climatic Implications of the Observed Temperature Dependence of the Liquid Water Path of Low Clouds in the Southern Great Plains

    NASA Technical Reports Server (NTRS)

    DelGenio, Anthony D.; Wolf, Audrey B.

    1999-01-01

    Satellite observations of low-level clouds have challenged the assumption that adiabatic liquid water content combined with constant physical thickness will lead to a negative cloud optics feedback in a decadal climate change. We explore the reasons for the satellite results using four years of surface remote sensing data from the Atmospheric Radiation Measurement Program Cloud and Radiation Testbed site in the Southern Great Plains of the United States. We find that low cloud liquid water path is approximately invariant with temperature in winter but decreases strongly with temperature in summer, consistent with the satellite inferences at this latitude. This behavior occurs because liquid water content shows no detectable temperature dependence while cloud physical thickness decreases with warming. Thinning of clouds with warming is observed on seasonal, synoptic, and diurnal time scales; it is most obvious in the warm sectors of baroclinic waves. Although cloud top is observed to slightly descend with warming, the primary cause of thinning is the ascent of cloud base due to the reduction in surface relative humidity and the concomitant increase in the lifting condensation level of surface air. Low cloud liquid water path is not observed to be a continuous function of temperature. Rather, the behavior we observe is best explained as a transition in the frequency of occurrence of different boundary layer types: At cold temperatures, a mixture of stratified and convective boundary layers is observed, leading to a broad distribution of liquid water path values, while at warm temperatures, only convective boundary layers with small liquid water paths, some of them decoupled, are observed. Our results, combined with the earlier satellite inferences, imply that the commonly quoted 1.50 C lower limit for the equilibrium global climate sensitivity to a doubling of CO2, which is based on models with near-adiabatic liquid water behavior and constant physical thickness

  4. Early Mars was wet but not warm: Erosion, fluvial features, liquid water habitats, and life below freezing

    NASA Technical Reports Server (NTRS)

    Mckay, C. P.; Davis, W. L.

    1993-01-01

    There is considerable evidence that Mars had liquid water early in its history and possibly at recurrent interval. It has generally been assumed that this implied that the climate was warmer as a result of a thicker CO2 atmosphere than at the present. However, recent models suggest that Mars may have had a thick atmosphere but may not have experienced mean annual temperatures above freezing. In this paper we report on models of liquid water formation and maintenance under temperatures well below freezing. Our studies are based on work in the north and south polar regions of Earth. Our results suggest that early Mars did have a thick atmosphere but precipitation and hence erosion was rare. Transient liquid water, formed under temperature extremes and maintained under thick ice covers, could account for the observed fluvial features. The main difference between the present climate and the early climate was that the total surface pressure was well above the triple point of water.

  5. An Oil-Stream Photomicrographic Aeroscope for Obtaining Cloud Liquid-Water Content and Droplet Size Distributions in Flight

    NASA Technical Reports Server (NTRS)

    Hacker, Paul T.

    1956-01-01

    An airborne cloud aeroscope by which droplet size, size distribution, and liquid-water content of clouds can be determined has been developed and tested in flight and in wind tunnels with water sprays. In this aeroscope the cloud droplets are continuously captured in a stream of oil, which Is then photographed by a photomicrographic camera. The droplet size and size distribution can be determined directly from the photographs. With the droplet size distribution known, the liquid-water content of the cloud can be computed from the geometry of the aeroscope, the airspeed, and the oil-flow rate. The aeroscope has the following features: Data are obtained semi-automatically, and permanent data are taken in the form of photographs. A single picture usually contains a sufficient number of droplets to establish the droplet size distribution. Cloud droplets are continuously captured in the stream of oil, but pictures are taken at Intervals. The aeroscope can be operated in icing and non-icing conditions. Because of mixing of oil in the instrument, the droplet-distribution patterns and liquid-water content values from a single picture are exponentially weighted average values over a path length of about 3/4 mile at 150 miles per hour. The liquid-water contents, volume-median diameters, and distribution patterns obtained on test flights and in the Lewis icing tunnel are similar to previously published data.

  6. 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

    Monthly mean distributions of water vapor and liquid water contained in a vertical column of the atmosphere and the surface wind speed were derived from Nimbus Scanning Multichannel Microwave Radiometer (SMMR) observations over the global oceans for the period November 1978 to November 1979. The remote sensing techniques used to estimate these parameters from SMMR are presented to reveal the limitations, accuracies, and applicability of the satellite-derived information for climate studies. On a time scale of the order of a month, the distribution of atmospheric water vapor over the oceans is controlled by the sea surface temperature and the large scale atmospheric circulation. The monthly mean distribution of liquid water content in the atmosphere over the oceans closely reflects the precipitation patterns associated with the convectively and baroclinically active regions. Together with the remotely sensed surface wind speed that is causing the sea surface stress, the data collected reveal the manner in which the ocean-atmosphere system is operating. Prominent differences in the water vapor patterns from one year to the next, or from month to month, are associated with anomalies in the wind and geopotential height fields. In association with such circulation anomalies the precipitation patterns deduced from the meteorological network over adjacent continents also reveal anomalous distributions.

  7. 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.

  8. Slow dielectric response of Debye-type in water and other hydrogen bonded liquids

    NASA Astrophysics Data System (ADS)

    Jansson, Helén; Bergman, Rikard; Swenson, Jan

    2010-05-01

    The slow dynamics of some hydrogen bonded glass-forming liquids has been investigated by broadband dielectric spectroscopy. We show that the polyalcohols glycerol, xylitol, and sorbitol, and mixtures of glycerol and water, and in fact, even pure water exhibit a process of Debye character at longer time-scales than the glass transition and viscosity related α-relaxation. Even if it is less pronounced, this process displays many similarities to the well-studied Debye-like process in monoalcohols. It can be observed in both the negative derivative of the real part of the permittivity or in the imaginary part of the permittivity, if the conductivity contribution is reduced. In the present study the conductivity contribution has been suppressed by use of a thin Teflon film placed between the sample and one of the electrodes. The new findings might have important implications for the structure and dynamics of hydrogen bonded liquids in general, and for water in particular.

  9. Simultaneous determination of 12 pharmaceuticals in water samples by ultrasound-assisted dispersive liquid-liquid microextraction coupled with ultra-high performance liquid chromatography with tandem mass spectrometry.

    PubMed

    Guan, Jin; Zhang, Chi; Wang, Yang; Guo, Yiguang; Huang, Peiting; Zhao, Longshan

    2016-11-01

    A new analytical method was developed for simultaneous determination of 12 pharmaceuticals using ultrasound-assisted dispersive liquid-liquid microextraction (DLLME) followed by ultra-high performance liquid chromatography with tandem mass spectrometry (UHPLC-MS/MS). Six nonsteroidal anti-inflammatory drugs (NSAIDs, ketoprofen, mefenamic acid, tolfenamic acid, naproxen, sulindac, and piroxicam) and six antibiotics (tinidazole, cefuroxime axetil, ciprofloxacin, sulfamethoxazole, sulfadiazine, and chloramphenicol) were extracted by ultrasound-assisted DLLME using dichloromethane (800 μL) and methanol/acetonitrile (1:1, v/v, 1200 μL) as the extraction and dispersive solvents, respectively. The factors affecting the extraction efficiency, such as the type and volume of extraction and dispersive solvent, vortex and ultrasonic time, sample pH, and ionic strength, were optimized. The ultrasound-assisted process was applied to accelerate the formation of the fine cloudy solution by using a small volume of dispersive solvent, which increased the extraction efficiency and reduced the equilibrium time. Under the optimal conditions, the calibration curves showed good linearity in the range of 0.04-20 ng mL -1 (ciprofloxacin and sulfadiazine), 0.2-100 ng mL -1 (ketoprofen, tinidazole, cefuroxime axetil, naproxen, sulfamethoxazole, and sulindac), and 1-200 ng mL -1 (mefenamic acid, tolfenamic acid, piroxicam, and chloramphenicol). The LODs and LOQs of the method were in the range of 0.006-0.091 and 0.018-0.281 ng mL -1 , respectively. The relative recoveries of the target analytes were in the range from 76.77 to 99.97 % with RSDs between 1.6 and 8.8 %. The developed method was successfully applied to the extraction and analysis of 12 pharmaceuticals in five kinds of water samples (drinking water, running water, river water, influent and effluent wastewater) with satisfactory results. Graphical Abstract Twelve pharmaceuticals in water samples analyted by UHPLC

  10. Beneficial effect of added water on sodium metal cycling in super concentrated ionic liquid sodium electrolytes

    NASA Astrophysics Data System (ADS)

    Basile, Andrew; Ferdousi, Shammi A.; Makhlooghiazad, Faezeh; Yunis, Ruhamah; Hilder, Matthias; Forsyth, Maria; Howlett, Patrick C.

    2018-03-01

    The plating and stripping performance of sodium metal in an ionic liquid electrolyte is improved when including water as an additive. Herein we report for the first time the trend of improved cycling behavior of Na0/+ in N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide with 500 ppm H2O. The addition of water to this ionic liquid electrolyte promotes the breakdown of the [FSI]- anion towards beneficial SEI formation. The benefits during plating and stripping of sodium is observed as lower total polarization during symmetrical cell cycling and decreased electrode/electrolyte interface impedance. Sodium metal surfaces after cycling with 500 ppm H2O are shown to be smooth in morphology in comparison to lower additive concentrations. The outcome of adventitious moisture benefiting Na0/+ cycling in an ionic liquid, contrary to conventional electrolytes, allows flexibility in ionic liquid electrolyte design to the benefit of battery manufacturers.

  11. Analysis of phenolic acids by ionic liquid-in-water microemulsion liquid chromatography coupled with ultraviolet and electrochemical detector.

    PubMed

    Peng, Li-Qing; Cao, Jun; Du, Li-Jing; Zhang, Qi-Dong; Shi, Yu-Tin; Xu, Jing-Jing

    2017-05-26

    An environmentally friendly ionic liquid-in-water (IL/W) microemulsion was established and applied as mobile phase in microemulsion liquid chromatography (MELC) with ultraviolet (UV) detection or electrochemical detector (ECD) for analysis of phenolic compounds in real samples. The optimal condition of the method was using the best composition of microemulsion (0.2% w/v [HMIM]PF 6 , 1.0% w/v SDS, 3.0% w/v n-butanol, 95.8% v/v water, pH 2.5) with UV detection. The validation results indicated that the method provided high degree of sensitivity, precision and accuracy with the low limit of detections ranged from 17.9-238ng/mL, satisfactory mean recovery values in the range of 80.1-105% and good linearity (r 2 >0.9994). Additionally, this method exhibited high selectivity and resolution for the analytes and was more eco-friendly compared with traditional MELC method. Consequently, the established IL/W MELC method was successfully applied to simultaneously separate and determine target compounds in Danshen sample and its preparation. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Dynamics of Water in Gemini Surfactant-Based Lyotropic Liquid Crystals

    DOE PAGES

    McDaniel, Jesse G.; Mantha, Sriteja; Yethiraj, Arun

    2016-09-26

    The dynamics of water confined to nanometer-sized domains is important in a variety of applications ranging from proton exchange membranes to crowding effects in biophysics. In this work we study the dynamics of water in gemini surfactant-based lyotropic liquid crystals (LLCs) using molecular dynamics simulations. These systems have well characterized morphologies, e.g., hexagonal, gyroid, and lamellar, and the surfaces of the confining regions can be controlled by modifying the headgroup of the surfactants. This allows one to study the effect of topology, functionalization, and interfacial curvature on the dynamics of confined water. Through analysis of the translational diffusion and rotationalmore » relaxation we conclude that the hydration level and resulting confinement lengthscale is the predominate determiner of the rates of water dynamics, and other effects, namely surface functionality and curvature, are largely secondary. In conclusion, this novel analysis of the water dynamics in these LLC systems provides an important comparison for previous studies of water dynamics in lipid bilayers and reverse micelles.« less

  13. A new chiral residue analysis method for triazole fungicides in water using dispersive liquid-liquid microextraction (DLLME).

    PubMed

    Luo, Mai; Liu, Donghui; Zhou, Zhiqiang; Wang, Peng

    2013-09-01

    A rapid, simple, reliable, and environment-friendly method for the residue analysis of the enantiomers of four chiral fungicides including hexaconazole, triadimefon, tebuconazole, and penconazole in water samples was developed by dispersive liquid-liquid microextraction (DLLME) pretreatment followed by chiral high-performance liquid chromatography (HPLC)-DAD detection. The enantiomers were separated on a Chiralpak IC column by HPLC applying n-hexane or petroleum ether as mobile phase and ethanol or isopropanol as modifier. The influences of mobile phase composition and temperature on the resolution were investigated and most of the enantiomers could be completely separated in 20 min under optimized conditions. The thermodynamic parameters indicated that the separation was enthalpy-driven. The elution orders were detected by both circular dichroism detector (CD) and optical rotatory dispersion detector (ORD). Parameters affecting the DLLME performance for pretreatment of the chiral fungicides residue in water samples, such as the extraction and dispersive solvents and their volume, were studied and optimized. Under the optimum microextraction condition the enrichment factors were over 121 and the linearities were 30-1500 µg L(-1) with the correlation coefficients (R(2)) over 0.9988 and the recoveries were between 88.7% and 103.7% at the spiking levels of 0.5, 0.25, and 0.05 mg L(-1) (for each enantiomer) with relative standard deviations varying from 1.38% to 6.70% (n = 6) The limits of detection (LODs) ranged from 8.5 to 29.0 µg L(-1) (S/N = 3). © 2013 Wiley Periodicals, Inc.

  14. Ionic liquid-based ultrasound-assisted emulsification microextraction coupled with high performance liquid chromatography for the determination of four fungicides in environmental water samples.

    PubMed

    Liang, Pei; Wang, Fang; Wan, Qin

    2013-02-15

    A highly efficient and environmentally friendly sample preparation method termed ionic liquid-based ultrasound-assisted emulsification microextraction (IL-USAEME) combined with high performance liquid chromatography has been developed for the determination of four fungicides (azoxystrobin, diethofencarb, pyrimethanil and kresoxim-methyl) in water samples. In this novel approach, ionic liquid (IL) was used as extraction solvent in place of the organic solvent used in conventional USAEME assay, and there is no need for using organic dispersive solvent which is typically required in the common dispersive liquid-liquid microextraction method. Various parameters that affect the extraction efficiency, such as the kind and volume of IL, ultrasound emulsification time, extraction temperature and salt addition were investigated and optimized. Under the optimum extraction condition, the linearities of calibration curves were in the range from 3 to 5000 ng mL(-1) for target analytes with the correlation coefficient higher than 0.9992. The enrichment factors and the limits of detection were in the range of 88-137 and 0.73-2.2 ng mL(-1), depending on the analytes. The environmental water samples were successfully analyzed using the proposed method, and the relative recoveries at fortified levels of 50 and 100 ng mL(-1) were in the range of 83.9%-116.2%. Copyright © 2012 Elsevier B.V. All rights reserved.

  15. [Determination of four bisphenolic compounds in drinking water by liquid chromatography-tandem mass spectrometry].

    PubMed

    Hu, Xiaojian; Zhang, Haijing; Wang, Xiaohong; Ding, Changming; Lin, Shaobin

    2015-05-01

    To simultaneously determine the four bisphenolic compounds (bisphenol F, bisphenol A, tetrachlorobisphenol A and tetrabromobisphenol A) in drinking water by liquid chromatography tandem mass spectrometry. 200 ml water sample was extracted by solid-phase extraction, eluted with methanol and analyzed by liquid chromatography tandem mass spectrometry under the MRM mode. The separation was carried out on a T3 column (2.1 mm x 150 mm, 3 μm). The limits of detection for the four bisphenolic compounds were in the range of 0.20 - 5.5 ng/L. The mean recoveries at the two spiked levels were 87.1% - 109.0% with the intra-day precision between 6.3% - 12.4% and inter-day precision between 4.5% - 15.4%. The method was applied for determination of 15 water samples. The method was sensitive, precise and accurate.

  16. Pico and nanoplankton abundance and carbon stocks along the Brazilian Bight

    PubMed Central

    Lopes dos Santos, Adriana; Marie, Dominique; Helena Pellizari, Vivian; Pereira Brandini, Frederico; Vaulot, Daniel

    2016-01-01

    Pico and nanoplankton communities from the Southwest Atlantic Ocean along the Brazilian Bight are poorly described. The hydrography in this region is dominated by a complex system of layered water masses, which includes the warm and oligotrophic Tropical Water (TW), the cold and nutrient rich South Atlantic Central Water (SACW) and the Coastal Water (CW), which have highly variable properties. In order to assess how pico- and nanoplankton communities are distributed in these different water masses, we determined by flow cytometry the abundance of heterotrophic bacteria, Prochlorococcus, Synechococcus and autotrophic pico and nanoeukaryotes along three transects, extending from 23°S to 31°S and 39°W to 49°W. Heterotrophic bacteria (including archaea, maximum of 1.5 × 106 cells mL−1) were most abundant in Coastal and Tropical Water whereas Prochlorococcus was most abundant in open-ocean oligotrophic waters (maximum of 300 × 103 cells mL−1). Synechococcus(up to 81 × 103 cells mL−1), as well as autotrophic pico and nanoeukaryotes seemed to benefit from the influx of nutrient-rich waters near the continental slope. Autotrophic pico and nanoeukaryotes were also abundant in deep chlorophyll maximum (DCM) layers from offshore waters, and their highest abundances were 20 × 103 cells mL−1 and 5 × 103 cells mL−1, respectively. These data are consistent with previous observations in other marine areas where Synechococcus and autotrophic eukaryotes dominate mesotrophic waters, whereas Prochlorococcus dominate in more oligotrophic areas. Regardless of the microbial community structure near the surface, the carbon stock dominance by autotrophic picoeukaryotes near the DCM is possibly linked to vertical mixing of oligotrophic surface waters with the nutrient-rich SACW and their tolerance to lower light levels. PMID:27867760

  17. Accurate experimental determination of the isotope effects on the triple point temperature of water. II. Combined dependence on the 18O and 17O abundances

    NASA Astrophysics Data System (ADS)

    Faghihi, V.; Kozicki, M.; Aerts-Bijma, A. T.; Jansen, H. G.; Spriensma, J. J.; Peruzzi, A.; Meijer, H. A. J.

    2015-12-01

    This paper is the second of two articles on the quantification of isotope effects on the triple point temperature of water. In this second article, we address the combined effects of 18O and 17O isotopes. We manufactured five triple point cells with waters with 18O and 17O abundances exceeding widely the natural abundance range while maintaining their natural 18O/17O relationship. The 2H isotopic abundance was kept close to that of VSMOW (Vienna Standard Mean Ocean Water). These cells realized triple point temperatures ranging between  -220 μK to 1420 μK with respect to the temperature realized by a triple point cell filled with VSMOW. Our experiment allowed us to determine an accurate and reliable value for the newly defined combined 18, 17O correction parameter of AO  =  630 μK with a combined uncertainty of 10 μK. To apply this correction, only the 18O abundance of the TPW needs to be known (and the water needs to be of natural origin). Using the results of our two articles, we recommend a correction equation along with the coefficient values for isotopic compositions differing from that of VSMOW and compare the effect of this new equation on a number of triple point cells from the literature and from our own institute. Using our correction equation, the uncertainty in the isotope correction for triple point cell waters used around the world will be  <1 μK.

  18. Development of Nanostructured Water Treatment Membranes Based on Thermotropic Liquid Crystals: Molecular Design of Sub-Nanoporous Materials.

    PubMed

    Sakamoto, Takeshi; Ogawa, Takafumi; Nada, Hiroki; Nakatsuji, Koji; Mitani, Masato; Soberats, Bartolome; Kawata, Ken; Yoshio, Masafumi; Tomioka, Hiroki; Sasaki, Takao; Kimura, Masahiro; Henmi, Masahiro; Kato, Takashi

    2018-01-01

    Supply of safe fresh water is currently one of the most important global issues. Membranes technologies are essential to treat water efficiently with low costs and energy consumption. Here, the development of self-organized nanostructured water treatment membranes based on ionic liquid crystals composed of ammonium, imidazolium, and pyridinium moieties is reported. Membranes with preserved 1D or 3D self-organized sub-nanopores are obtained by photopolymerization of ionic columnar or bicontinuous cubic liquid crystals. These membranes show salt rejection ability, ion selectivity, and excellent water permeability. The relationships between the structures and the transport properties of water molecules and ionic solutes in the sub-nanopores in the membranes are examined by molecular dynamics simulations. The results suggest that the volume of vacant space in the nanochannel greatly affects the water and ion permeability.

  19. 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.

  20. Chlorine Abundances in Martian Meteorites

    NASA Technical Reports Server (NTRS)

    Bogard, D.D.; Garrison, D.H.; Park, J.

    2009-01-01

    Chlorine measurements made in martian surface rocks by robotic spacecraft typically give Chlorine (Cl) abundances of approximately 0.1-0.8%. In contrast, Cl abundances in martian meteorites appear lower, although data is limited, and martian nakhlites were also subjected to Cl contamination by Mars surface brines. Chlorine abundances reported by one lab for whole rock (WR) samples of Shergotty, ALH77005, and EET79001 range 108-14 ppm, whereas Cl in nakhlites range 73-1900 ppm. Measurements of Cl in various martian weathering phases of nakhlites varied 0.04-4.7% and reveal significant concentration of Cl by martian brines Martian meteorites contain much lower Chlorine than those measured in martian surface rocks and give further confirmation that Cl in these surface rocks was introduced by brines and weathering. It has been argued that Cl is twice as effective as water in lowering the melting point and promoting melting at shallower martian depths, and that significant Cl in the shergottite source region would negate any need for significant water. However, this conclusion was based on experiments that utilized Cl concentrations more analogous to martian surface rocks than to shergottite meteorites, and may not be applicable to shergottites.

  1. Investigations of Water-Bearing Environments on the Moon and Mars

    NASA Astrophysics Data System (ADS)

    Mitchell, Julie

    Water is a critical resource for future human missions, and is necessary for understanding the evolution of the Solar System. The Moon and Mars have water in various forms and are therefore high-priority targets in the search for accessible extraterrestrial water. Complementary remote sensing analyses coupled with laboratory and field studies are necessary to provide a scientific context for future lunar and Mars exploration. In this thesis, I use multiple techniques to investigate the presence of water-ice at the lunar poles and the properties of martian chloride minerals, whose evolution is intricately linked with liquid water. Permanently shadowed regions (PSRs) at the lunar poles may contain substantial water ice, but radar signatures at PSRs could indicate water ice or large block populations. Mini-RF radar and Lunar Reconnaissance Orbiter Camera Narrow Angle Camera (LROC NAC) products were used to assess block abundances where radar signatures indicated potential ice deposits. While the majority of PSRs in this study indicated large block populations and a low likelihood of water ice, one crater--Rozhdestvenskiy N--showed indirect indications of water ice in its interior. Chloride deposits indicate regions where the last substantial liquid water existed on Mars. Major ion abundances and expected precipitation sequences of terrestrial chloride brines could provide context for assessing the provenance of martian chloride deposits. Chloride minerals are most readily distinguished in the far-infrared (45+ microm), where their fundamental absorption features are strongest. Multiple chloride compositions and textures were characterized in far-infrared emission for the first time. Systematic variations in the spectra were observed; these variations will allow chloride mineralogy to be determined and large variations in texture to be constrained. In the present day, recurring slope lineae (RSL) may indicate water flow, but fresh water is not stable on Mars. However

  2. Structure and dynamics of complex liquid water: Molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    S, Indrajith V.; Natesan, Baskaran

    2015-06-01

    We have carried out detailed structure and dynamical studies of complex liquid water using molecular dynamics simulations. Three different model potentials, namely, TIP3P, TIP4P and SPC-E have been used in the simulations, in order to arrive at the best possible potential function that could reproduce the structure of experimental bulk water. All the simulations were performed in the NVE micro canonical ensemble using LAMMPS. The radial distribution functions, gOO, gOH and gHH and the self diffusion coefficient, Ds, were calculated for all three models. We conclude from our results that the structure and dynamical parameters obtained for SPC-E model matched well with the experimental values, suggesting that among the models studied here, the SPC-E model gives the best structure and dynamics of bulk water.

  3. Comparison of Nimbus-7 SMMR and GOES-1 VISSR Atmospheric Liquid Water Content.

    NASA Astrophysics Data System (ADS)

    Lojou, Jean-Yves; Frouin, Robert; Bernard, René

    1991-02-01

    Vertically integrated atmospheric liquid water content derived from Nimbus-7 Scanning Multichannel Microwave Radiometer (SMMR) brightness temperatures and from GOES-1 Visible and Infrared Spin-Scan Radiometer (VISSR) radiances in the visible are compared over the Indian Ocean during MONEX (monsoon experiment). In the retrieval procedure, Wilheit and Chang' algorithm and Stephens' parameterization schemes are applied to the SMMR and VISSR data, respectively. The results indicate that in the 0-100 mg cm2 range of liquid water content considered, the correlation coefficient between the two types of estimates is 0.83 (0.81- 0.85 at the 99 percent confidence level). The Wilheit and Chang algorithm, however, yields values lower than those obtained with Stephens's schemes by 24.5 mg cm2 on the average, and occasionally the SMMR-based values are negative. Alternative algorithms are proposed for use with SMMR data, which eliminate the bias, augment the correlation coefficient, and reduce the rms difference. These algorithms include using the Witheit and Chang formula with modified coefficients (multilinear regression), the Wilheit and Chang formula with the same coefficients but different equivalent atmospheric temperatures for each channel (temperature bias adjustment), and a second-order polynomial in brightness temperatures at 18, 21, and 37 GHz (polynomial development). When applied to a dataset excluded from the regressionn dataset, the multilinear regression algorithm provides the best results, namely a 0.91 correlation coefficient, a 5.2 mg cm2 (residual) difference, and a 2.9 mg cm2 bias. Simply shifting the liquid water content predicted by the Wilheit and Chang algorithm does not yield as good comparison statistics, indicating that the occasional negative values are not due only to a bias. The more accurate SMMR-derived liquid water content allows one to better evaluate cloud transmittance in the solar spectrum, at least in the area and during the period analyzed

  4. Measuring Snow Liquid Water Content with Low-Cost GPS Receivers

    PubMed Central

    Koch, Franziska; Prasch, Monika; Schmid, Lino; Schweizer, Jürg; Mauser, Wolfram

    2014-01-01

    The amount of liquid water in snow characterizes the wetness of a snowpack. Its temporal evolution plays an important role for wet-snow avalanche prediction, as well as the onset of meltwater release and water availability estimations within a river basin. However, it is still a challenge and a not yet satisfyingly solved issue to measure the liquid water content (LWC) in snow with conventional in situ and remote sensing techniques. We propose a new approach based on the attenuation of microwave radiation in the L-band emitted by the satellites of the Global Positioning System (GPS). For this purpose, we performed a continuous low-cost GPS measurement experiment at the Weissfluhjoch test site in Switzerland, during the snow melt period in 2013. As a measure of signal strength, we analyzed the carrier-to-noise power density ratio (C/N0) and developed a procedure to normalize these data. The bulk volumetric LWC was determined based on assumptions for attenuation, reflection and refraction of radiation in wet snow. The onset of melt, as well as daily melt-freeze cycles were clearly detected. The temporal evolution of the LWC was closely related to the meteorological and snow-hydrological data. Due to its non-destructive setup, its cost-efficiency and global availability, this approach has the potential to be implemented in distributed sensor networks for avalanche prediction or basin-wide melt onset measurements. PMID:25384007

  5. Political ecology of groundwater: the contrasting case of water-abundant West Bengal and water-scarce Gujarat, India

    NASA Astrophysics Data System (ADS)

    Mukherji, Aditi

    2006-03-01

    Three apparently disparate themes (groundwater, farmers and politics) interweave in this account of how groundwater-related policies in India have very little to do with the scarcity, depletion or quality of groundwater, and more to do with rural politics manifested, among other things, in terms of the presence or absence of farmer lobbies. Examples from two states of India, the water-abundant state of West Bengal and water-scarce state of Gujarat, were investigated using readily available data, analysis of the literature, interviews and fieldwork. In the case of West Bengal, although there is no pressing groundwater crisis, the government of West Bengal (GOWB) was able to successfully implement strict groundwater regulations along with a drastic increase in electricity tariff. More importantly, GOWB was able to implement these without any form of visible farmer protest, though these measures negatively affected farmer incomes. On the other hand, in Gujarat, where there is a real and grave groundwater crisis, the government of Gujarat has neither been able to implement strict groundwater regulations, nor has it been able to increase electricity tariff substantially. Thus, through the lens of ‘political ecology’ the contrasting case of these two Indian states is explained.

  6. Sound velocity measurement in liquid water up to 25 GPa and 900 K: Implications for densities of water at lower mantle conditions

    NASA Astrophysics Data System (ADS)

    Asahara, Yuki; Murakami, Motohiko; Ohishi, Yasuo; Hirao, Naohisa; Hirose, Kei

    2010-01-01

    We extended the pressure range of sound velocity measurements for liquid water to 25 GPa and 900 K along the melting curve using a laser heated diamond anvil cell with a combined system of Brillouin scattering and synchrotron X-ray diffraction. Experimental pressure and temperature were obtained by solving simultaneous equations: the melting curve of ice and the equation of state for gold. The sound velocities obtained in liquid water at high pressures and melting temperatures were converted to density using Murnaghan's equation of state by fitting a parameter of the pressure derivative of bulk modulus at 1 GPa. The results are in good agreement with the values predicted by a previously reported equation of state for water based on sound velocity measurements. The equation of state for water obtained in this study could be applicable to water released by dehydration reactions of dense hydrous magnesium silicate phases in cold subducting slabs at lower mantle conditions, although the validity of Murnaghan's equation of state for water should be evaluated in a wider pressure and temperature ranges. The present velocity data provides the basis for future improvement of the accurate thermodynamic model for water at high pressures.

  7. 30 CFR 250.217 - What solid and liquid wastes and discharges information and cooling water intake information must...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 2 2011-07-01 2011-07-01 false What solid and liquid wastes and discharges... of Exploration Plans (ep) § 250.217 What solid and liquid wastes and discharges information and cooling water intake information must accompany the EP? The following solid and liquid wastes and...

  8. Liquid water content and droplet size calibration of the NASA Lewis Icing Research Tunnel

    NASA Technical Reports Server (NTRS)

    Ide, Robert F.

    1989-01-01

    The icing research tunnel at the NASA Lewis Research Center underwent a major rehabilitation in 1986 to 1987, necessitating recalibration of the icing cloud. The methods used in the recalibration, including the procedure used to establish a uniform icing cloud and the use of a standard icing blade technique for measurement of liquid water content are described. PMS Forward Scattering Spectrometer and Optical Array probes were used for measurement of droplet size. Examples of droplet size distributions are shown for several median volumetric diameters. Finally, the liquid water content/droplet size operating envelopes of the icing tunnel are shown for a range of airspeeds and are compared to the FAA icing certification criteria.

  9. Analysis of hydrazine in drinking water by isotope dilution gas chromatography/tandem mass spectrometry with derivatization and liquid-liquid extraction.

    PubMed

    Davis, William E; Li, Yongtao

    2008-07-15

    A new isotope dilution gas chromatography/chemical ionization/tandem mass spectrometric method was developed for the analysis of carcinogenic hydrazine in drinking water. The sample preparation was performed by using the optimized derivatization and multiple liquid-liquid extraction techniques. Using the direct aqueous-phase derivatization with acetone, hydrazine and isotopically labeled hydrazine-(15)N2 used as the surrogate standard formed acetone azine and acetone azine-(15)N2, respectively. These derivatives were then extracted with dichloromethane. Prior to analysis using methanol as the chemical ionization reagent gas, the extract was dried with anhydrous sodium sulfate, concentrated through evaporation, and then fortified with isotopically labeled N-nitrosodimethylamine-d6 used as the internal standard to quantify the extracted acetone azine-(15)N2. The extracted acetone azine was quantified against the extracted acetone azine-(15)N2. The isotope dilution standard calibration curve resulted in a linear regression correlation coefficient (R) of 0.999. The obtained method detection limit was 0.70 ng/L for hydrazine in reagent water samples, fortified at a concentration of 1.0 ng/L. For reagent water samples fortified at a concentration of 20.0 ng/L, the mean recoveries were 102% with a relative standard deviation of 13.7% for hydrazine and 106% with a relative standard deviation of 12.5% for hydrazine-(15)N2. Hydrazine at 0.5-2.6 ng/L was detected in 7 out of 13 chloraminated drinking water samples but was not detected in the rest of the chloraminated drinking water samples and the studied chlorinated drinking water sample.

  10. Dielectric constant and low-frequency infrared spectra for liquid water and ice Ih within the E3B model

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

    Shi, L.; Ni, Y.; Drews, S. E. P.

    2014-08-28

    Two intrinsic difficulties in modeling condensed-phase water with conventional rigid non-polarizable water models are: reproducing the static dielectric constants for liquid water and ice Ih, and generating the peak at about 200 cm{sup −1} in the low-frequency infrared spectrum for liquid water. The primary physical reason for these failures is believed to be the missing polarization effect in these models, and consequently various sophisticated polarizable water models have been developed. However, in this work we pursue a different strategy and propose a simple empirical scheme to include the polarization effect only on the dipole surface (without modifying a model's intermolecularmore » interaction potential). We implement this strategy for our explicit three-body (E3B) model. Our calculated static dielectric constants and low-frequency infrared spectra are in good agreement with experiment for both liquid water and ice Ih over wide temperature ranges, albeit with one fitting parameter for each phase. The success of our modeling also suggests that thermal fluctuations about local minima and the energy differences between different proton-disordered configurations play minor roles in the static dielectric constant of ice Ih. Our analysis shows that the polarization effect is important in resolving the two difficulties mentioned above and sheds some light on the origin of several features in the low-frequency infrared spectra for liquid water and ice Ih.« less

  11. Dielectric constant and low-frequency infrared spectra for liquid water and ice Ih within the E3B model.

    PubMed

    Shi, L; Ni, Y; Drews, S E P; Skinner, J L

    2014-08-28

    Two intrinsic difficulties in modeling condensed-phase water with conventional rigid non-polarizable water models are: reproducing the static dielectric constants for liquid water and ice Ih, and generating the peak at about 200 cm(-1) in the low-frequency infrared spectrum for liquid water. The primary physical reason for these failures is believed to be the missing polarization effect in these models, and consequently various sophisticated polarizable water models have been developed. However, in this work we pursue a different strategy and propose a simple empirical scheme to include the polarization effect only on the dipole surface (without modifying a model's intermolecular interaction potential). We implement this strategy for our explicit three-body (E3B) model. Our calculated static dielectric constants and low-frequency infrared spectra are in good agreement with experiment for both liquid water and ice Ih over wide temperature ranges, albeit with one fitting parameter for each phase. The success of our modeling also suggests that thermal fluctuations about local minima and the energy differences between different proton-disordered configurations play minor roles in the static dielectric constant of ice Ih. Our analysis shows that the polarization effect is important in resolving the two difficulties mentioned above and sheds some light on the origin of several features in the low-frequency infrared spectra for liquid water and ice Ih.

  12. Natural abundant (17) O NMR in a 1.5-T Halbach magnet.

    PubMed

    Sørensen, Morten K; Bakharev, Oleg N; Jensen, Ole; Nielsen, Niels Chr

    2016-06-01

    We present mobile, low-field (17) O NMR as a means for monitoring oxygen in liquids. Whereas oxygen is one of the most important elements, oxygen NMR is limited by a poor sensitivity related to low natural abundance and gyro-magnetic ratio of the NMR active (17) O isotope. Here, we demonstrate (17) O NMR detection at a Larmor frequency of 8.74 MHz in a 1.5-T Halbach neodymium magnet with a home-built digital NMR instrument suitable for large-scale production and in-line monitoring applications. The proposed (17) O NMR sensor may be applied for direct, noninvasive measurements of water content in, for example, oil, manure, or food in automated quality or process control. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

  13. Separation of lignin from corn stover hydrolysate with quantitative recovery of ionic liquid

    DOE PAGES

    Underkofler, Kaylee A.; Teixeira, Rodrigo E.; Pietsch, Stephen A.; ...

    2015-02-20

    Abundant lignocellulosic biomass could become a source of sugars and lignin, potential feedstocks for the now emergent biorenewable economy. The production and conversion of sugars from biomass have been well-studied, but far less is known about the production of lignin that is amenable to valorization. In this paper, we report the isolation of lignin generated from the hydrolysis of biomass dissolved in the ionic liquid 1-butyl-3-methylimidazolium chloride. We show that lignin can be isolated from the hydrolysate slurry by simple filtration or centrifugation, and that the ionic liquid can be recovered quantitatively by a straightforward wash with water. Finally, themore » isolated lignin is not only free from ionic liquid but also lacks cellulosic residues and is substantially depolymerized, making it a promising feedstock for valorization by conversion into fuels and chemicals.« less

  14. A history of violence: Insights into post-accretionary heating in carbonaceous chondrites from volatile element abundances, Zn isotopes and water contents

    NASA Astrophysics Data System (ADS)

    Mahan, Brandon; Moynier, Frédéric; Beck, Pierre; Pringle, Emily A.; Siebert, Julien

    2018-01-01

    Carbonaceous chondrites (CCs) may have been the carriers of water, volatile and moderately volatile elements to Earth. Investigating the abundances of these elements, their relative volatility, and isotopes of state-change tracer elements such as Zn, and linking these observations to water contents, provide vital information on the processes that govern the abundances and isotopic signatures of these species in CCs and other planetary bodies. Here we report Zn isotopic data for 28 CCs (20 CM, 6 CR, 1 C2-ung, and 1 CV3), as well as trace element data for Zn, In, Sn, Tl, Pb, and Bi in 16 samples (8 CM, 6 CR, 1 C2-ung, and 1 CV3), that display a range of elemental abundances from case-normative to intensely depleted. We use these data, water content data from literature and Zn isotopes to investigate volatile depletions and to discern between closed and open system heating. Trace element data have been used to construct relative volatility scales among the elements for the CM and CR chondrites. From least volatile to most, the scale in CM chondrites is Pb-Sn-Bi-In-Zn-Tl, and for CR chondrites it is Tl-Zn-Sn-Pb-Bi-In. These observations suggest that heated CM and CR chondrites underwent volatile loss under different conditions to one another and to that of the solar nebula, e.g. differing oxygen fugacities. Furthermore, the most water and volatile depleted samples are highly enriched in the heavy isotopes of Zn. Taken together, these lines of evidence strongly indicate that heated CM and CR chondrites incurred open system heating, stripping them of water and volatiles concomitantly, during post-accretionary shock impact(s).

  15. Advanced control of liquid water region in diffusion media of polymer electrolyte fuel cells through a dimensionless number

    NASA Astrophysics Data System (ADS)

    Wang, Yun; Chen, Ken S.

    2016-05-01

    In the present work, a three-dimension (3-D) model of polymer electrolyte fuel cells (PEFCs) is employed to investigate the complex, non-isothermal, two-phase flow in the gas diffusion layer (GDL). Phase change in gas flow channels is explained, and a simplified approach accounting for phase change is incorporated into the fuel cell model. It is found that the liquid water contours in the GDL are similar along flow channels when the channels are subject to two-phase flow. Analysis is performed on a dimensionless parameter Da0 introduced in our previous paper [Y. Wang and K. S. Chen, Chemical Engineering Science 66 (2011) 3557-3567] and the parameter is further evaluated in a realistic fuel cell. We found that the GDL's liquid water (or liquid-free) region is determined by the Da0 number which lumps several parameters, including the thermal conductivity and operating temperature. By adjusting these factors, a liquid-free GDL zone can be created even though the channel stream is two-phase flow. Such a liquid-free zone is adjacent to the two-phase region, benefiting local water management, namely avoiding both severe flooding and dryness.

  16. Advanced control of liquid water region in diffusion media of polymer electrolyte fuel cells through a dimensionless number

    DOE PAGES

    Wang, Yun; Chen, Ken S.

    2016-03-21

    In the present study, a three-dimension (3-D) model of polymer electrolyte fuel cells (PEFCs) is employed to investigate the complex, non-isothermal, two-phase flow in the gas diffusion layer (GDL). Phase change in gas flow channels is explained, and a simplified approach accounting for phase change is incorporated into the fuel cell model. It is found that the liquid water contours in the GDL are similar along flow channels when the channels are subject to two-phase flow. Here, analysis is performed on a dimensionless parameter Da 0 introduced in our previous paper and the parameter is further evaluated in a realisticmore » fuel cell. We found that the GDL's liquid water (or liquid-free) region is determined by the Da 0 number which lumps several parameters, including the thermal conductivity and operating temperature. By adjusting these factors, a liquid-free GDL zone can be created even though the channel stream is two-phase flow. Such a liquid-free zone is adjacent to the two-phase region, benefiting local water management, namely avoiding both severe flooding and dryness.« less

  17. A surprisingly simple correlation between the classical and quantum structural networks in liquid water

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

    Hamm, Peter; Fanourgakis, George S.; Xantheas, Sotiris S.

    Nuclear quantum effects in liquid water have profound implications for several of its macroscopic properties related to structure, dynamics, spectroscopy and transport. Although several of water’s macroscopic properties can be reproduced by classical descriptions of the nuclei using potentials effectively parameterized for a narrow range of its phase diagram, a proper account of the nuclear quantum effects is required in order to ensure that the underlying molecular interactions are transferable across a wide temperature range covering different regions of that diagram. When performing an analysis of the hydrogen bonded structural networks in liquid water resulting from the classical (class.) andmore » quantum (q.m.) descriptions of the nuclei with the transferable, flexible, polarizable TTM3-F interaction potential, we found that the two results can be superimposed over the temperature range of T=270-350 K using a surprisingly simple, linear scaling of the two temperatures according to T(q.m.)=aT(class)- T , where a=1.2 and T=51 K. The linear scaling and constant shift of the temperature scale can be considered as a generalization of the previously reported temperature shifts (corresponding to structural changes and the melting T) induced by quantum effects in liquid water.« less

  18. Properties of injectable ready-to-use calcium phosphate cement based on water-immiscible liquid.

    PubMed

    Heinemann, S; Rössler, S; Lemm, M; Ruhnow, M; Nies, B

    2013-04-01

    Calcium phosphate cements (CPCs) are highly valuable materials for filling bone defects and bone augmentation by minimal invasive application via percutaneous injection. In the present study some key features were significantly improved by developing a novel injectable ready-to-use calcium phosphate cement based on water-immiscible carrier liquids. A combination of two surfactants was identified to facilitate the targeted discontinuous exchange of the liquid for water after contact with aqueous solutions, enabling the setting reaction to take place at distinct ratios of cement components to water. This prolonged the shelf life of the pre-mixed paste and enhanced reproducibility during application and setting reactions. The developed paste technology is applicable for different CPC formulations. Evaluations were performed for the formulation of an α-TCP-based CPC as a representative example for the preparation of injectable pastes with a powder-to-carrier liquid ratio of up to 85:15. We demonstrate that the resulting material retains the desirable properties of conventional CPC counterparts for fast setting, mechanical strength and biocompatibility, shows improved cohesion and will most probably show a similar degree of resorbability due to identical mineral structure of the set products. Copyright © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  19. Mass-controlled capillary viscometer for a Newtonian liquid: Viscosity of water at different temperatures

    NASA Astrophysics Data System (ADS)

    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.

  20. Production of long-term global water vapor and liquid water data set using ultra-fast methods to assimilate multi-satellite and radiosonde observations

    NASA Technical Reports Server (NTRS)

    Vonderhaar, Thomas H.; Randel, David L.; Reinke, Donald L.; Stephens, Graeme L.; Ringerud, Mark A.; Combs, Cynthia L.; Greenwald, Thomas J.; Wittmeyer, Ian L.

    1994-01-01

    In recent years climate research scientists have recognized the need for increased time and space resolution precipitable and liquid water data sets. This project is designed to meet those needs. Specifically, NASA is funding STC-METSAT to develop a total integrated column and layered precipitable water data set. This is complemented by a total column liquid water data set. These data are global in extent, 1 deg x 1 deg in resolution, with daily grids produced. Precipitable water is measured by a combination of in situ radiosonde observations and satellite derived infrared and microwave retrievals from four satellites. This project combines these data into a coherent merged product for use in global climate research. This report is the Year 2 Annual Report from this NASA-sponsored project and includes progress-to-date on the assigned tasks.

  1. Determination of pentachlorophenol in water and aquifer sediments by high-performance liquid chromatography

    USGS Publications Warehouse

    Goerlitz, D.F.

    1981-01-01

    Methods for the determination of pentachlorophenol (PCP) in water and aquifer sediments are presented. Reverse-phase high-performance liquid chromotography employing ion suppression and gradient elution is used. PCP can be determined directly in water at a lower limit of detection Of 0.2 micrograms per liter. For extracts of sediment, PCP can be determined to a lower limit of 1.0 micrograms per kilogram.

  2. Development of Nanostructured Water Treatment Membranes Based on Thermotropic Liquid Crystals: Molecular Design of Sub‐Nanoporous Materials

    PubMed Central

    Ogawa, Takafumi; Nakatsuji, Koji; Mitani, Masato; Soberats, Bartolome; Kawata, Ken; Yoshio, Masafumi; Tomioka, Hiroki; Sasaki, Takao; Kimura, Masahiro

    2017-01-01

    Abstract Supply of safe fresh water is currently one of the most important global issues. Membranes technologies are essential to treat water efficiently with low costs and energy consumption. Here, the development of self‐organized nanostructured water treatment membranes based on ionic liquid crystals composed of ammonium, imidazolium, and pyridinium moieties is reported. Membranes with preserved 1D or 3D self‐organized sub‐nanopores are obtained by photopolymerization of ionic columnar or bicontinuous cubic liquid crystals. These membranes show salt rejection ability, ion selectivity, and excellent water permeability. The relationships between the structures and the transport properties of water molecules and ionic solutes in the sub‐nanopores in the membranes are examined by molecular dynamics simulations. The results suggest that the volume of vacant space in the nanochannel greatly affects the water and ion permeability. PMID:29375969

  3. How water manifests the structural regimes in ionic liquids.

    PubMed

    Singh, Akhil Pratap; Gardas, Ramesh L; Senapati, Sanjib

    2017-03-22

    Ionic liquids (ILs) are being considered as greener alternatives to the conventional organic solvents. However, highly viscous nature of ILs often limits their applications. Hence studies on IL/water binary mixtures have received tremendous attention. These mixtures exhibit much lower viscosity, but almost similar density, compressibility and other properties as that of the neat ILs, up to certain water content. Hence, determining the IL-water ratio till which the solution behaves like IL and subsequently changes to a state of solute IL dissolved in continuous water phase is of paramount importance. Noting the very different and characteristic behaviours of neat ILs and pure water over a temperature range, herein, we measured the various thermophysical properties of the binary mixtures of tetramethylguanidinium benzoate/water and tetramethylguanidinium salicylate/water with water content varying from 20 wt% to 95 wt% for a temperature range of 298 K to 343 K. The results show that similar to neat ILs, the measured densities and compressibility of these mixtures display a linear change, and viscosity decreases rapidly as temperature is increased for water content up to 50 wt%. At higher water concentrations, the measured density and compressibility exhibit nonlinear behaviour and the decrease in viscosity with increased temperature is minute, mimicking the behaviour of bulk water. MD simulations were carried out to explain the experimental observations. Simulation results show a greater temperature-induced disintegration of IL ion-water interactions in dense systems, explaining the rapid decay of the properties with temperature. The results also exhibit the presence of a neat, IL-like, H-bond mediated expanded structure in concentrated solution versus a collapsed IL structure in dilute solution.

  4. 30 CFR 250.248 - What solid and liquid wastes and discharges information and cooling water intake information must...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 2 2011-07-01 2011-07-01 false What solid and liquid wastes and discharges...) § 250.248 What solid and liquid wastes and discharges information and cooling water intake information must accompany the DPP or DOCD? The following solid and liquid wastes and discharges information and...

  5. Optimization of two different dispersive liquid-liquid microextraction methods followed by gas chromatography-mass spectrometry determination for polycyclic aromatic hydrocarbons (PAHs) analysis in water.

    PubMed

    Tseng, Wan-Chi; Chen, Pai-Shan; Huang, Shang-Da

    2014-03-01

    Novel sample preparation methods termed "up-and-down shaker-assisted dispersive liquid-liquid microextraction (UDSA-DLLME)" and "water with low concentration of surfactant in dispersed solvent-assisted emulsion dispersive liquid-liquid microextraction (WLSEME)" coupled with gas chromatography-mass spectrometry (GC-MS) have been developed for the analysis of 11 polycyclic aromatic hydrocarbons (PAHs) in aqueous samples. For UDSA-DLLME, an up-and-down shaker-assisted emulsification was employed. Extraction was complete in 3min. Only 14 μL of 1-heptanol was required, without a dispersive solvent. Under the optimum conditions, the linear range was 0.08-100 µg L(-1), and the LODs were in the range 0.022-0.060 µg L(-1). The enrichment factors (EFs) ranged from 392 to 766. Relative recoveries were between 84% and 113% for river, lake, and field water. In WLSEME, 9 μL of 1-nonanol as extraction solvent and 240 μL of 1 mg L(-1) Triton X-100 as surfactant were mixed in a microsyringe to form a cloudy emulsified solution, which was then injected into the samples. Compared with other surfactant-assisted emulsion methods, WLSEME uses much less surfactant. The linear range was 0.08-100 µg L(-1), and the LODs were 0.022-0.13 µg L(-1). The EFs ranged from 388 to 649. The relative recoveries were 86-114% for all three water specimens. Copyright © 2013 Elsevier B.V. All rights reserved.

  6. Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice.

    PubMed

    Murdachaew, Garold; Mundy, Christopher J; Schenter, Gregory K; Laino, Teodoro; Hutter, Jürg

    2011-06-16

    We have applied an efficient electronic structure approach, the semiempirical self-consistent polarization neglect of diatomic differential overlap (SCP-NDDO) method, previously parametrized to reproduce properties of water clusters by Chang, Schenter, and Garrett [ J. Chem. Phys. 2008 , 128 , 164111 ] and now implemented in the CP2K package, to model ambient liquid water at 300 K (both the bulk and the liquid-vapor interface) and cubic ice at 15 and 250 K. The SCP-NDDO potential retains its transferability and good performance across the full range of conditions encountered in the clusters and the bulk phases of water. In particular, we obtain good results for the density, radial distribution functions, enthalpy of vaporization, self-diffusion coefficient, molecular dipole moment distribution, and hydrogen bond populations, in comparison to experimental measurements. © 2011 American Chemical Society

  7. 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.

  8. 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

  9. X-ray and Electrochemical Impedance Spectroscopy Diagnostic Investigations of Liquid Water in Polymer Electrolyte Membrane Fuel Cell Gas Diffusion Layers

    NASA Astrophysics Data System (ADS)

    Antonacci, Patrick

    In this thesis, electrochemical impedance spectroscopy (EIS) and synchrotron x-ray radiography were utilized to characterize the impact of liquid water distributions in polymer electrolyte membrane fuel cell (PEMFC) gas diffusion layers (GDLs) on fuel cell performance. These diagnostic techniques were used to quantify the effects of liquid water visualized on equivalent resistances measured through EIS. The effects of varying the thickness of the microporous layer (MPL) of GDLs were studied using these diagnostic techniques. In a first study on the feasibility of this methodology, two fuel cell cases with a 100 microm-thick and a 150 microm-thick MPL were compared under constant current density operation. In a second study with 10, 30, 50, and 100 microm-thick MPLs, the liquid water in the cathode substrate was demonstrated to affect mass transport resistance, while the liquid water content in the anode (from back diffusion) affected membrane hydration, evidenced through ohmic resistance measurements.

  10. 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.

  11. Potential Energy Landscape of the Liquid-Liquid Phase Transition in Water and the transformation between Low-Density and High-Density Amorphous Ice

    NASA Astrophysics Data System (ADS)

    Giovambattista, N.; Sciortino, F.; Starr, F. W.; Poole, P. H.

    The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics for describing supercooled liquids and glasses. We use the PEL formalism and computer simulations to study the transformation between low-density (LDL) and high-density liquid (HDL) water, and between low-density (LDA) and high-density amorphous ice (HDA). We employ the ST2 water model that exhibits a LDL-HDL first-order phase transition and a sharp LDA-HDA transformation, as observed in experiments. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that LDL configurations are located in the same megabasin as LDA, and that HDL configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid and the amorphous ice differ. We also study the liquid-to-ice-VII first-order phase transition. The PEL properties across this transition are qualitatively similar to the changes found during the LDA-HDA transformation, supporting the interpretation that the LDA-HDA transformation is a first-order-like phase transition between out-of-equilibrium states.

  12. Biodegradability of immidazolium, pyridinium, piperidinium and pyrrolidinium based ionic liquid in different water source

    NASA Astrophysics Data System (ADS)

    Krishnan, S.; Quraishi, K. S.; Aminuddin, N. F.; Mazlan, F. A.; Leveque, J.-M.

    2016-11-01

    Ionic Liquid (IL), combination of an organic cation with an organic or inorganic cation, possess some remarkable physical chemical properties such as no virtual vapor pressure (allowing recyclability and reusability), wide liquid range, high thermal and chemical stability, ease to choose hydrophobic/hydrophilic character and wide electrochemical window. Owing to that, they have become increasingly popular as green solvents/additives/catalysts for organic synthetic chemistry, extraction, electrochemistry, catalysis, biomass conversion, biotechnologies and pharmaceutical applications. This is acknowledged by the exponential number of yearly published articles related to them. However, even if these are very widely studied in the international scientific community, they are not or very little used on an industrial scale, particularly because of the lack of data on their toxicity and biodegradability. Notably hydrophobic ILs seems to display higher toxicity towards microorganisms and lower biodegradability compared to their hydrophilic analogues since they are not readily disassociated in water. This present work aims to explore the biodegradability of 8 different insoluble ILs in different sources of water bearing varied amount of microorganisms to study the impact of the used water on the biodegradability assessment. The water sources used are Type III Water, Pond water and filtered Sewage Water. Based on the results obtained, it can be concluded that the type of water has a very minor influence on the biodegradability effect of insoluble ILs. However, there is still some degree of influence on the type of water with the biodegradability.

  13. 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...

  14. Experimental, Numerical, and Analytical Slosh Dynamics of Water and Liquid Nitrogen in a Spherical Tank

    NASA Technical Reports Server (NTRS)

    Storey, Jedediah Morse

    2016-01-01

    Understanding, predicting, and controlling fluid slosh dynamics is critical to safety and improving performance of space missions when a significant percentage of the spacecraft's mass is a liquid. Computational fluid dynamics simulations can be used to predict the dynamics of slosh, but these programs require extensive validation. Many experimental and numerical studies of water slosh have been conducted. However, slosh data for cryogenic liquids is lacking. Water and cryogenic liquid nitrogen are used in various ground-based tests with a spherical tank to characterize damping, slosh mode frequencies, and slosh forces. A single ring baffle is installed in the tank for some of the tests. Analytical models for slosh modes, slosh forces, and baffle damping are constructed based on prior work. Select experiments are simulated using a commercial CFD software, and the numerical results are compared to the analytical and experimental results for the purposes of validation and methodology-improvement.

  15. Determination of trace mercury in water based on N-octylpyridinium ionic liquids preconcentration and stripping voltammetry.

    PubMed

    Li, Zhenhan; Xia, Shanhong; Wang, Jinfen; Bian, Chao; Tong, Jianhua

    2016-01-15

    A novel method for determination of trace mercury in water is developed. The method is performed by extracting mercury firstly with ionic liquids (ILs) and then detecting the concentration of mercury in organic media with anodic stripping voltammetry. Liquid-liquid extraction of mercury(II) ions by four ionic liquids with N-octylpyridinium cations ([OPy](+)) was studied. N-octylpyridinium tetrafluoroborate and N-octylpyridinium trifluoromethylsulfonate were found to be efficient and selective extractant for mercury. Temperature controlled dispersive liquid phase microextraction (TC-DLPME) technique was utilized to improve the performance of preconcentration. After extraction, precipitated IL was diluted by acetonitrile buffer and mercury was detected by differential pulse stripping voltammetry (DPSV) with gold disc electrode. Mercury was enriched by 17 times while interfering ions were reduced by two orders of magnitude in the organic media under optimum condition. Sensitivity and selectivity for electrochemical determination of mercury were improved by using the proposed method. Tap, pond and waste water samples were analyzed with recoveries ranging from 81% to 107% and detection limit of 0.05 μg/L. Copyright © 2015 Elsevier B.V. All rights reserved.

  16. Comparisons of Calculations with PARTRAC and NOREC: Transport of Electrons in Liquid Water

    PubMed Central

    Dingfelder, M.; Ritchie, R. H.; Turner, J. E.; Friedland, W.; Paretzke, H. G.; Hamm, R. N.

    2013-01-01

    Monte Carlo computer models that simulate the detailed, event-by-event transport of electrons in liquid water are valuable for the interpretation and understanding of findings in radiation chemistry and radiation biology. Because of the paucity of experimental data, such efforts must rely on theoretical principles and considerable judgment in their development. Experimental verification of numerical input is possible to only a limited extent. Indirect support for model validity can be gained from a comparison of details between two independently developed computer codes as well as the observable results calculated with them. In this study, we compare the transport properties of electrons in liquid water using two such models, PARTRAC and NOREC. Both use interaction cross sections based on plane-wave Born approximations and a numerical parameterization of the complex dielectric response function for the liquid. The models are described and compared, and their similarities and differences are highlighted. Recent developments in the field are discussed and taken into account. The calculated stopping powers, W values, and slab penetration characteristics are in good agreement with one another and with other independent sources. PMID:18439039

  17. Water level response measurement in a steel cylindrical liquid storage tank using image filter processing under seismic excitation

    NASA Astrophysics Data System (ADS)

    Kim, Sung-Wan; Choi, Hyoung-Suk; Park, Dong-Uk; Baek, Eun-Rim; Kim, Jae-Min

    2018-02-01

    Sloshing refers to the movement of fluid that occurs when the kinetic energy of various storage tanks containing fluid (e.g., excitation and vibration) is continuously applied to the fluid inside the tanks. As the movement induced by an external force gets closer to the resonance frequency of the fluid, the effect of sloshing increases, and this can lead to a serious problem with the structural stability of the system. Thus, it is important to accurately understand the physics of sloshing, and to effectively suppress and reduce the sloshing. Also, a method for the economical measurement of the water level response of a liquid storage tank is needed for the exact analysis of sloshing. In this study, a method using images was employed among the methods for measuring the water level response of a liquid storage tank, and the water level response was measured using an image filter processing algorithm for the reduction of the noise of the fluid induced by light, and for the sharpening of the structure installed at the liquid storage tank. A shaking table test was performed to verify the validity of the method of measuring the water level response of a liquid storage tank using images, and the result was analyzed and compared with the response measured using a water level gauge.

  18. New Technique for Retrieving Liquid Water Path over Land using Satellite Microwave Observations

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

    Deeter, M.N.; Vivekanandan, J.

    2005-03-18

    We present a new methodology for retrieving liquid water path over land using satellite microwave observations. As input, the technique exploits the Advanced Microwave Scanning Radiometer for earth observing plan (EOS) (AMSR-E) polarization-difference signals at 37 and 89 GHz. Regression analysis performed on model simulations indicates that over variable atmospheric and surface conditions the polarization-difference signals can be simply parameterized in terms of the surface emissivity polarization difference ({Delta}{var_epsilon}), surface temperature, liquid water path (LWP), and precipitable water vapor (PWV). The resulting polarization-difference parameterization (PDP) enables fast and direct (noniterative) retrievals of LWP with minimal requirements for ancillary data. Single-more » and dual-channel retrieval methods are described and demonstrated. Data gridding is used to reduce the effects of instrumental noise. The methodology is demonstrated using AMSR-E observations over the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site during a six day period in November and December, 2003. Single- and dual-channel retrieval results mostly agree with ground-based microwave retrievals of LWP to within approximately 0.04 mm.« less

  19. The structure of graphene oxide membranes in liquid water, ethanol and water-ethanol mixtures

    NASA Astrophysics Data System (ADS)

    Talyzin, Alexandr V.; Hausmaninger, Tomas; You, Shujie; Szabó, Tamás

    2013-12-01

    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.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

  20. 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.

  1. Production of long-term global water vapor and liquid water data set using ultra-fast methods to assimilate multi-satellite and radiosonde observations

    NASA Technical Reports Server (NTRS)

    Vonderhaar, T. H.; Reinke, Donald L.; Randel, David L.; Stephens, Graeme L.; Combs, Cynthia L.; Greenwald, Thomas J.; Ringerud, Mark A.; Wittmeyer, Ian L.

    1993-01-01

    During the next decade, many programs and experiments under the Global Energy and Water Cycle Experiment (GEWEX) will utilize present day and future data sets to improve our understanding of the role of moisture in climate, and its interaction with other variables such as clouds and radiation. An important element of GEWEX will be the GEWEX Water Vapor Project (GVaP), which will eventually initiate a routine, real-time assimilation of the highest quality, global water vapor data sets including information gained from future data collection systems, both ground and space based. The comprehensive global water vapor data set being produced by METSAT Inc. uses a combination of ground-based radiosonde data, and infrared and microwave satellite retrievals. This data is needed to provide the desired foundation from which future GEWEX-related research, such as GVaP, can build. The first year of this project was designed to use a combination of the best available atmospheric moisture data including: radiosonde (balloon/acft/rocket), HIRS/MSU (TOVS) retrievals, and SSM/I retrievals, to produce a one-year, global, high resolution data set of integrated column water vapor (precipitable water) with a horizontal resolution of 1 degree, and a temporal resolution of one day. The time period of this pilot product was to be det3ermined by the availability of all the input data sets. January 1988 through December 1988 were selected. In addition, a sample of vertically integrated liquid water content (LWC) was to be produced with the same temporal and spatial parameters. This sample was to be produced over ocean areas only. Three main steps are followed to produce a merged water vapor and liquid water product. Input data from Radiosondes, TOVS, and SSMI/I is quality checked in steps one and two. Processing is done in step two to generate individual total column water vapor and liquid water data sets. The third step, and final processing task, involves merging the individual output

  2. Test of prototype liquid-water-content meter for aircraft use

    NASA Technical Reports Server (NTRS)

    Gerber, Hermann E.

    1993-01-01

    This report describes the effort undertaken to meet the objectives of National Science Foundation Grant ATM-9207345 titled 'Test of Prototype Liquid-Water-Content Meter for Aircraft Use.' Three activities were proposed for testing the new aircraft instrument, PVM-100A: (1) Calibrate the PVM-100A in a facility where the liquid-water-content (LWC) channel, and the integrated surface area channel (PSA) could be compared to standard means for LWC and PSA measurements. Scaling constant for the channels were to be determined in this facility. The fog/wind tunnel at ECN, Petten, The Netherlands was judged the most suitable facility for this effort. (2) Expose the PVM-100A to high wind speeds similar to those expected on research aircraft, and test the anti-icing heaters on the PVM-100A under typical icing conditions expected in atmospheric clouds. The high-speed icing tunnel at NRC, Ottawa, Canada was to be utilized. (3) Operate the PVM-100A on an aircraft during cloud penetrations to determine its stability and practicality for such measurements. The C-131A aircraft of the University of Washington was the aircraft of opportunity for these-tests, which were to be conducted during the 4-week Atlantic Stratocumulus Transition Experiment (ASTEX) in June of 1992.

  3. Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model

    PubMed Central

    Bauer, Brad A.; Patel, Sandeep

    2009-01-01

    We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly on properties along the liquid-vapor coexistence curve of pure water. Parametrized to reproduce condensed-phase liquid water properties at 298 K, the TIP4P-QDP-LJ model predicts density, enthalpy of vaporization, self-diffusion constant, and the dielectric constant at ambient conditions to about the same accuracy as TIP4P-QDP but shows remarkable improvement in reproducing the liquid-vapor coexistence curve. TIP4P-QDP-LJ predicts critical constants of Tc=623 K, ρc=0.351 g∕cm3, and Pc=250.9 atm, which are in good agreement with experimental values of Tc=647.1 K, ρc=0.322 g∕cm3, and Pc=218 atm, respectively. Applying a scaling factor correction (obtained by fitting the experimental vapor-liquid equilibrium data to the law of rectilinear diameters using a three-term Wegner expansion) the model predicts critical constants (Tc=631 K and ρc=0.308 g∕cm3). Dependence of enthalpy of vaporization, self-diffusion constant, surface tension, and dielectric constant on temperature are shown to reproduce experimental trends. We also explore the interfacial potential drop across the liquid-vapor interface for the temperatures studied. The interfacial potential demonstrates little temperature dependence at lower temperatures (300–450 K) and significantly enhanced (exponential) dependence at elevated temperatures. Terms arising from the decomposition of the interfacial potential into dipole and quadrupole contributions are shown to monotonically approach zero as the temperature approaches the critical temperature. Results of this study suggest that self-consistently treating the coupling of phase

  4. Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model.

    PubMed

    Bauer, Brad A; Patel, Sandeep

    2009-08-28

    We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly on properties along the liquid-vapor coexistence curve of pure water. Parametrized to reproduce condensed-phase liquid water properties at 298 K, the TIP4P-QDP-LJ model predicts density, enthalpy of vaporization, self-diffusion constant, and the dielectric constant at ambient conditions to about the same accuracy as TIP4P-QDP but shows remarkable improvement in reproducing the liquid-vapor coexistence curve. TIP4P-QDP-LJ predicts critical constants of T(c)=623 K, rho(c)=0.351 g/cm(3), and P(c)=250.9 atm, which are in good agreement with experimental values of T(c)=647.1 K, rho(c)=0.322 g/cm(3), and P(c)=218 atm, respectively. Applying a scaling factor correction (obtained by fitting the experimental vapor-liquid equilibrium data to the law of rectilinear diameters using a three-term Wegner expansion) the model predicts critical constants (T(c)=631 K and rho(c)=0.308 g/cm(3)). Dependence of enthalpy of vaporization, self-diffusion constant, surface tension, and dielectric constant on temperature are shown to reproduce experimental trends. We also explore the interfacial potential drop across the liquid-vapor interface for the temperatures studied. The interfacial potential demonstrates little temperature dependence at lower temperatures (300-450 K) and significantly enhanced (exponential) dependence at elevated temperatures. Terms arising from the decomposition of the interfacial potential into dipole and quadrupole contributions are shown to monotonically approach zero as the temperature approaches the critical temperature. Results of this study suggest that self-consistently treating the coupling of phase

  5. Water resources and hydrology of Mars

    NASA Technical Reports Server (NTRS)

    Baker, V. R.; Gulick, V. C.; Kargel, J. S.; Strom, R. G.

    1991-01-01

    The surface of Mars has been extensively modified by a large variety of water erosional and depositional processes. Although liquid water is presently unstable on the planet's surface, in its cold, hyperarid climate, there is abundant geomorphological evidence of past fluvial valley development multiple episodes of catastrophic flooding, periglacial landforms, ice-related permafrost, lake deposits, eroded impact craters and possible glacial landforms throughout much of Mars' geological history. The amount of water required to form such features is estimated to be equivalent to a planet-wide layer approximately 50 meters deep. Some of this water undoubtedly was removed from the planet by atmospheric escape processes, but much probably remains in the subsurface of Mars. Jakosky summarized the present partitioning of water on Mars, expressed as an average global depth, as follows: in the polar caps, 30 meters; in the megaregolith, 500 to 1000 meters; structurally bound in clays, 10 meters; and in high latitude regolith, a few meters. However, most of this water is probably in the form of ice, except in anomalous areas of possible near surface liquid water, and in regions where hydrothermal systems are still active. The best locations for prospecting are those areas where water or ice is sufficiently concentrated at shallow enough depths to make it feasible to pump out or mine.

  6. Extraction of trace tilmicosin in real water samples using ionic liquid-based aqueous two-phase systems.

    PubMed

    Pan, Ru; Shao, Dejia; Qi, Xueyong; Wu, Yun; Fu, Wenyan; Ge, Yanru; Fu, Haizhen

    2013-01-01

    The effective method of ionic liquid-based aqueous two-phase extraction, which involves ionic liquid (IL) (1-butyl-3-methyllimidazolium chloride, [C4mim]Cl) and inorganic salt (K2HPO4) coupled with high-performance liquid chromatography (HPLC), has been used to extract trace tilmicosin in real water samples which were passed through a 0.45 μm filter. The effects of the different types of salts, the concentration of K2HPO4 and of ILs, the pH value and temperature of the systems on the extraction efficiencies have all been investigated. Under the optimum conditions, the average extraction efficiency is up to 95.8%. This method was feasible when applied to the analysis of tilmicosin in real water samples within the range 0.5-40 μg mL(-1). The limit of detection was found to be 0.05 μg mL(-1). The recovery rate of tilmicosin was 92.0-99.0% from the real water samples by the proposed method. This process is suggested to have important applications for the extraction of tilmicosin.

  7. Study of correlations from Ab-Initio Simulations of Liquid Water

    NASA Astrophysics Data System (ADS)

    Soto, Adrian; Fernandez-Serra, Marivi; Lu, Deyu; Yoo, Shinjae

    An accurate understanding of the dynamics and the structure of H2O molecules in the liquid phase is of extreme importance both from a fundamental and from a practical standpoint. Despite the successes of Molecular Dynamics (MD) with Density Functional Theory (DFT), liquid water remains an extremely difficult material to simulate accurately and efficiently because of fine balance between the covalent O-H bond, the hydrogen bond and the attractive the van der Waals forces. Small errors in those produce dramatic changes in the macroscopic properties of the liquid or in its structural properties. Different density functionals produce answers that differ by as much as 35% in ambient conditions, with none producing quantitative results in agreement with experiment at different mass densities. In order to understand these differences we perform an exhaustive scanning of the geometrical coordinates of MD simulations and study their statistical correlations with the simulation output quantities using advanced correlation analyses and machine learning techniques. This work was partially supported by DOE Award No. DE-FG02-09ER16052, by DOE Early Career Award No. DE-SC0003871, by BNL LDRD 16-039 project and BNL Contract No. DE-SC0012704.

  8. Weight loss and isotopic shifts for water drops frozen on a liquid nitrogen surface.

    PubMed

    Eguchi, Keiko; Abe, Osamu; Hiyama, Tetsuya

    2008-10-01

    A liquid nitrogen freezing method was used to collect raindrops for the determination of isotope-size distribution. Water drops that fall onto a surface of liquid nitrogen stay suspended for 10 to 20 s, until their temperature reaches the Leidenfrost point (126 K). As their temperature falls to the freezing point, they release their heat by thermal conduction. At the freezing point, latent heat of fusion is released, along with a significant loss of water. After freezing completely, the ice droplets stay suspended, cooling by thermal conduction until they reach the Leidenfrost point. They then lose buoyancy and start sinking. Consistent isotopic changes of 1.5 +/- 0.4 and 0.33 +/- 0.05 per thousand for hydrogen and oxygen, respectively, were found for droplets with radii between 1.0 and 1.5 mm. Isotope fractionation appeared to occur at the same time as water loss, as the droplets were freezing, in what was probably a kinetic effect.

  9. Water Flow Performance of a Superscale Model of the Fastrac Liquid Oxygen Pump

    NASA Technical Reports Server (NTRS)

    Skelley, Stephen; Zoladz, Thomas

    1999-01-01

    As part of the National Aeronautics and Space Administration's ongoing effort to lower the cost of access to space, the Marshall Space Flight Center has developed a rocket engine with 60,000 pounds of thrust for use on the Reusable Launch Vehicle technology demonstrator slated for launch in 2000. This gas generator cycle engine, known as the Fastrac engine, uses liquid oxygen and RP-1 for propellants and includes single stage liquid oxygen and RP-1 pumps and a single stage supersonic turbine on a common shaft. The turbopump design effort included the first use and application of new suction capability prediction codes and three-dimensional blade generation codes in an attempt to reduce the turbomachinery design and certification costs typically associated with rocket engine development. To verify the pump's predicted cavitation performance, a water flow test of a superscale model of the Fastrac liquid oxygen pump was conducted to experimentally evaluate the liquid oxygen pump's performance at and around the design point. The water flow test article replicated the flow path of the Fastrac liquid oxygen pump in a 1.582x scale model, including scaled seal clearances for correct leakage flow at a model operating speed of 5000 revolutions per minute. Flow entered the 3-blade axial-flow inducer, transitioned to a shrouded, 6-blade radial impeller, and discharged into a vaneless radial diffuser and collection volute. The test article included approximately 50 total and static pressure measurement locations as well as flush-mounted, high frequency pressure transducers for complete mapping of the pressure environment. The primary objectives of the water flow test were to measure the steady-state and dynamic pressure environment of the liquid oxygen pump versus flow coefficient, suction specific speed, and back face leakage flow rate. Results showed excellent correlation between the predicted and experimentally measured pump head rise at low suction specific speeds. Likewise

  10. Magnetic resonance tells microbiology where to go; bacterial teichoic acid protects liquid water at sub-zero temperatures

    NASA Astrophysics Data System (ADS)

    Rice, Charles V.; Wickham, Jason R.; Eastman, Margaret A.; Harrison, William; Pereira, Mark P.; Brown, Eric D.

    2008-08-01

    Numerous chemical additives lower the freezing point of water, but life at sub-zero temperatures is sustained by a limited number of biological cryoprotectants. Antifreeze proteins in fish, plants, and insects provide protection to a few degrees below freezing. Microbes have been found to survive at even lower temperatures, although, with a few exceptions, antifreeze proteins are missing. Survival has been attributed to external factors, such as high salt concentration (brine veins) and adhesion to particulates or ice crystal defects. Teichoic acid is a phosphodiester polymer ubiquitous in Gram positive bacteria, composing 50% of the mass of the bacterial cell wall and excreted into the extracellular space of biofilm communities. We have found that when bound to the peptidoglycan cell wall (wall teichoic acid) or as a free molecule (lipoteichoic acid), teichoic acid is surrounded by liquid water at temperatures significantly below freezing. Using solid-state NMR, we are unable to collect 31P CPMAS spectra for frozen solutions of lipoteichoic acid at temperatures above -60 °C. For wall teichoic acid in D2O, signals are not seen above -30 °C. These results can be explained by the presence of liquid water, which permits rapid molecular motion to remove 1H/31P dipolar coupling. 2H quadrupole echo NMR spectroscopy reveals that both liquid and solid water are present. We suggest that teichoic acids could provide a shell of liquid water around biofilms and planktonic bacteria, removing the need for brine veins to prevent bacterial freezing.

  11. Dataset used to improve liquid water absorption models in the microwave

    DOE Data Explorer

    Turner, David

    2015-12-14

    Two datasets, one a compilation of laboratory data and one a compilation from three field sites, are provided here. These datasets provide measurements of the real and imaginary refractive indices and absorption as a function of cloud temperature. These datasets were used in the development of the new liquid water absorption model that was published in Turner et al. 2015.

  12. Ion-water wires in imidazolium-based ionic liquid/water solutions induce unique trends in density.

    PubMed

    Ghoshdastidar, Debostuti; Senapati, Sanjib

    2016-03-28

    Ionic liquid/water binary mixtures are rapidly gaining popularity as solvents for dissolution of cellulose, nucleobases, and other poorly water-soluble biomolecules. Hence, several studies have focused on measuring the thermophysical properties of these versatile mixtures. Among these, 1-ethyl-3-methylimidazolium ([emim]) cation-based ILs containing different anions exhibit unique density behaviours upon addition of water. While [emim][acetate]/water binary mixtures display an unusual rise in density with the addition of low-to-moderate amounts of water, those containing the [trifluoroacetate] ([Tfa]) anion display a sluggish decrease in density. The density of [emim][tetrafluoroborate] ([emim][BF4])/water mixtures, on the other hand, declines rapidly in close accordance with the experimental reports. Here, we unravel the structural basis underlying this unique density behavior of [emim]-based IL/water mixtures using all-atom molecular dynamics (MD) simulations. The results revealed that the distinct nature of anion-water hydrogen bonded networks in the three systems was a key in modulating the observed unique density behaviour. Vast expanses of uninterrupted anion-water-anion H-bonded stretches, denoted here as anion-water wires, induced significant structuring in [emim][Ac]/water mixtures that resulted in the density rise. Conversely, the presence of intermittent large water clusters disintegrated the anion-water wires in [emim][Tfa]/water and [emim][BF4]/water mixtures to cause a monotonic density decrease. The differential nanostructuring affected the dynamics of the solutions proportionately, with the H-bond making and breaking dynamics found to be greatly retarded in [emim][Ac]/water mixtures, while it exhibited a faster relaxation in the other two binary solutions.

  13. Investigation of a liquid-fed water resistojet plume

    NASA Technical Reports Server (NTRS)

    Manzella, D. H.; Carney, L. M.

    1989-01-01

    Measurements of mass flux and flow angle were taken throughout the forward flow region of the exhaust of a liquid-fed water resistojet using a quartz crystal microbalance (QCM). The resistojet operated at a mass flow rate of 0.1 g/s with a power input of 330 Watts. Measured values were compared to theoretical predictions obtained by employing a source flow approximation. Excellent agreement between predicted and measured mass flux values was attained; however, this agreement was highly dependent on knowledge of nozzle flow conditions. Measurements of the temperature at which the exhaust condensed on the QCM were obtained as a function of incident mass flux.

  14. Different abundance and correlational patterns exist between total and presumed pathogenic Vibrio vulnificus and V. parahaemolyticus in shellfish and waters along the North Carolina coast.

    PubMed

    Williams, Tiffany C; Froelich, Brett A; Phippen, Britney; Fowler, Patricia; Noble, Rachel T; Oliver, James D

    2017-06-01

    Monitoring of Vibrio vulnificus and V. parahaemolyticus abundance is pertinent due to the ability of these species to cause disease in humans through aquatic vectors. Previously, we performed a multiyear investigation tracking Vibrio spp. levels in five sites along the southeastern North Carolina coast. From February 2013 to October 2015, total V. vulnificus and V. parahaemolyticus abundance was measured in water, oysters and clams. In the current study, pathogenic subpopulations were identified in these isolates using molecular markers, revealing that 5.3% of V. vulnificus isolates possessed the virulence-correlated gene (vcgC), and 1.9% of V. parahaemolyticus isolates harbored one or both of the virulence-associated hemolysin genes (tdh and trh). Total V. parahaemolyticus abundance was not sufficient to predict the abundance of pathogenic subpopulations. Specifically, pathogenic V. parahaemolyticus isolates were more often isolated in cooler waters and were sometimes isolated when no other V. parahaemolyticus strains were detectable. Vibrio vulnificus clinical (C-) genotypes correlated with total V. vulnificus; however, salinity, water depth and total suspended solids influenced C- and E-genotypes differently. Lastly, we documented individual oysters harboring significantly higher V. vulnificus levels for which there was no ecological explanation, a phenomenon that deserves closer attention due to the potentially elevated health hazard associated with these 'hot' shellfish. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  15. The liquid-vapor equilibria of TIP4P/2005 and BLYPSP-4F water models determined through direct simulations of the liquid-vapor interface.

    PubMed

    Hu, Hongyi; Wang, Feng

    2015-06-07

    In this paper, the surface tension and critical properties for the TIP4P/2005 and BLYPSP-4F models are reported. A clear dependence of surface tension on the van der Waals cutoff radius (rvdw) is shown when van der Waals interactions are modeled with a simple cutoff scheme. A linear extrapolation formula is proposed that can be used to determine the infinite rvdw surface tension through a few simulations with finite rvdw. A procedure for determining liquid and vapor densities is proposed that does not require fitting to a profile function. Although the critical temperature of water is also found to depend on the choice of rvdw, the dependence is weaker. We argue that a rvdw of 1.75 nm is a good compromise for water simulations when long-range van der Waals correction is not applied. Since the majority of computational programs do not support rigorous treatment of long-range dispersion, the establishment of a minimal acceptable rvdw is important for the simulation of a variety of inhomogeneous systems, such as water bubbles, and water in confined environments. The BLYPSP-4F model predicts room temperature surface tension marginally better than TIP4P/2005 but overestimates the critical temperature. This is expected since only liquid configurations were fit during the development of the BLYPSP-4F potential. The potential is expected to underestimate the stability of vapor and thus overestimate the region of stability for the liquid.

  16. Emissions Prediction and Measurement for Liquid-Fueled TVC Combustor with and without Water Injection

    NASA Technical Reports Server (NTRS)

    Brankovic, A.; Ryder, R. C., Jr.; Hendricks, R. C.; Liu, N.-S.; Shouse, D. T.; Roquemore, W. M.

    2005-01-01

    An investigation is performed to evaluate the performance of a computational fluid dynamics (CFD) tool for the prediction of the reacting flow in a liquid-fueled combustor that uses water injection for control of pollutant emissions. The experiment consists of a multisector, liquid-fueled combustor rig operated at different inlet pressures and temperatures, and over a range of fuel/air and water/fuel ratios. Fuel can be injected directly into the main combustion airstream and into the cavities. Test rig performance is characterized by combustor exit quantities such as temperature and emissions measurements using rakes and overall pressure drop from upstream plenum to combustor exit. Visualization of the flame is performed using gray scale and color still photographs and high-frame-rate videos. CFD simulations are performed utilizing a methodology that includes computer-aided design (CAD) solid modeling of the geometry, parallel processing over networked computers, and graphical and quantitative post-processing. Physical models include liquid fuel droplet dynamics and evaporation, with combustion modeled using a hybrid finite-rate chemistry model developed for Jet-A fuel. CFD and experimental results are compared for cases with cavity-only fueling, while numerical studies of cavity and main fueling was also performed. Predicted and measured trends in combustor exit temperature, CO and NOx are in general agreement at the different water/fuel loading rates, although quantitative differences exist between the predictions and measurements.

  17. Monitoring trihalomethanes in chlorinated waters using a dispersive liquid-liquid microextraction method with a non-chlorinated organic solvent and gas chromatography-mass spectrometry.

    PubMed

    Pacheco-Fernández, Idaira; Herrera-Fuentes, Ariadna; Delgado, Bárbara; Pino, Verónica; Ayala, Juan H; Afonso, Ana M

    2017-03-01

    The environmental monitoring of trihalomethanes (THMs) has been performed by setting up a dispersive liquid-liquid microextraction method in combination with gas chromatography (GC)-mass spectrometry (MS). The optimized method only requires ∼26 µL of decanol as extractant solvent, dissolved in ∼1 mL of acetone (dispersive solvent) for 5 mL of the environmental water containing THMs. The mixture is then subjected to vortex for 1 min and then centrifuged for 2 min at 3500 rpm. The microdroplet containing the extracted THMs is then sampled with a micro-syringe, and injected (1 µL) in the GC-MS. The method is characterized for being fast (3 min for the entire sample preparation step) and environmentally friendly (low amounts of solvents required, being all non-chlorinated), and also for getting average relative recoveries of 90.2-106% in tap waters; relative standard deviation values always lower than 11%; average enrichment factors of 48-49; and detection limits down to 0.7 µg·L-1. Several waters: tap waters, pool waters, and wastewaters were successfully analyzed with the method proposed. Furthermore, the method was used to monitor the formation of THMs in wastewaters when different chlorination parameters, namely temperature and pH, were varied.

  18. New aerial survey and hierarchical model to estimate manatee abundance

    USGS Publications Warehouse

    Langimm, Cahterine A.; Dorazio, Robert M.; Stith, Bradley M.; Doyle, Terry J.

    2011-01-01

    Monitoring the response of endangered and protected species to hydrological restoration is a major component of the adaptive management framework of the Comprehensive Everglades Restoration Plan. The endangered Florida manatee (Trichechus manatus latirostris) lives at the marine-freshwater interface in southwest Florida and is likely to be affected by hydrologic restoration. To provide managers with prerestoration information on distribution and abundance for postrestoration comparison, we developed and implemented a new aerial survey design and hierarchical statistical model to estimate and map abundance of manatees as a function of patch-specific habitat characteristics, indicative of manatee requirements for offshore forage (seagrass), inland fresh drinking water, and warm-water winter refuge. We estimated the number of groups of manatees from dual-observer counts and estimated the number of individuals within groups by removal sampling. Our model is unique in that we jointly analyzed group and individual counts using assumptions that allow probabilities of group detection to depend on group size. Ours is the first analysis of manatee aerial surveys to model spatial and temporal abundance of manatees in association with habitat type while accounting for imperfect detection. We conducted the study in the Ten Thousand Islands area of southwestern Florida, USA, which was expected to be affected by the Picayune Strand Restoration Project to restore hydrology altered for a failed real-estate development. We conducted 11 surveys in 2006, spanning the cold, dry season and warm, wet season. To examine short-term and seasonal changes in distribution we flew paired surveys 1–2 days apart within a given month during the year. Manatees were sparsely distributed across the landscape in small groups. Probability of detection of a group increased with group size; the magnitude of the relationship between group size and detection probability varied among surveys. Probability

  19. Cloud Optical Depths and Liquid Water Paths at the NSA CART

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

    Doran, J C.; Barnard, James C.; Zhong, Shiyuan

    2000-03-14

    Cloud optical depths have been measured using multifilter rotating shadowband radiometers (MFRSRs) at Barrow and Atqasuk, and liquid water paths have been measured at Barrow using a microwave radiometer (MWR) during the warm season (June-September) in 1999. Comparisons have been made between these quantities and the corresponding ones determined from the ECMWF GCM. Hour-by-hour comparisons of cloud optical depths show considerable scatter. The scatter is reduced, but is still substantial, when the averaging period is increased to ''daily'' averages, i.e., the time period each day over which the MFRSR can make measurements. This period varied between 18 hours in Junemore » and 6 hours in September. Preliminary results indicate that, for measured cloud optical depths less than approximately 25, the ECMWF has a low bias in its predictions, consistent with a low bias in predicted liquid water path. Based on a more limited set of data, the optical depths at Atqasuk were found to be generally lower than those at Barrow, a trend at least qualitatively captured by the ECMWF model. Analyses to identify the cause of the biases and the considerable scatter in the predictions are continuing.« less

  20. Study of liquid?liquid demixing from drug solution

    NASA Astrophysics Data System (ADS)

    Lafferrère, Laurent; Hoff, Christian; Veesler, Stéphane

    2004-09-01

    In pharmaceutical industry, a deep understanding of the phase diagram is required in design of crystallization processes. We have investigated the phase diagram of a pharmaceutical compound (C 35H 41Cl 2N 3O 2) in a mixture of ethanol/water. This phase diagram exhibits a solid-solid (polymorphism) and a liquid-liquid-phase separation (LLPS) as a function of temperature and drug substance concentration. This study focuses on the LLPS which is metastable with respect to the crystallization of the two polymorphs FI and FII of C 35H 41Cl 2N 3O 2 in an ethanol/water mixture. The LLPS is metastable towards the solubility curve on the whole solvent-solute concentrations and temperature range studied. The LLPS occurred within the metastable zone for crystallization. In our experiments the liquid-liquid-phase transition prevented the drug from crystallizing, while it changed the medium and the conditions of crystallization, which consequently affected the process. The coexistence curves for the liquid phases, also named TL-L boundary, and the spinodal line were measured for a ternary mixture of water-drug-ethanol at atmospheric pressure over a temperature range of 10-50°C. This temperature range corresponds to that used in the crystallization process. Static Light Scattering, HPLC measurements and Karl-Fischer titration were applied to investigate the drug-phase diagram. The isoplethe section of the phase diagram exhibits four regions: one homogeneous (one liquid) and three two-phases (two regions with one liquid+one solid and one region with two liquids), the two solids phases being two polymorphs.

  1. Determination of some organophosphorus pesticides in water and watermelon samples by microextraction prior to high-performance liquid chromatography.

    PubMed

    Wang, Chun; Wu, Qiuhua; Wu, Chunxia; Wang, Zhi

    2011-11-01

    A novel method based on simultaneous liquid-liquid microextraction and carbon nanotube reinforced hollow fiber microporous membrane solid-liquid phase microextraction has been developed for the determination of six organophosphorus pesticides, i.e. isocarbophos, phosmet, parathion-methyl, triazophos, fonofos and phoxim, in water and watermelon samples prior to high-performance liquid chromatography (HPLC). Under the optimum conditions, the method shows a good linearity within a range of 1-200 ng/mL for water samples and 5-200 ng/g for watermelon samples, with the correlation coefficients (r) varying from 0.9990 to 0.9997 and 0.9986 to 0.9995, respectively. The limits of detection (LODs) were in the range between 0.1 and 0.3 ng/mL for water samples and between 1.0 and 1.5 ng/g for watermelon samples. The recoveries of the method at spiking levels of 5.0 and 50.0 ng/mL for water samples were between 85.4 and 100.8%, and at spiking levels of 5.0 and 50.0 ng/g for watermelon samples, they were between 82.6 and 92.4%, with the relative standard deviations (RSDs) varying from 4.5-6.9% and 5.2-7.4%, respectively. The results suggested that the developed method represents a simple, low-cost, high analytes preconcentration and excellent sample cleanup procedure for the determination of organophosphorus pesticides in water and watermelon samples. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Development of an on-line mixed-mode gel liquid chromatography×reversed phase liquid chromatography method for separation of water extract from Flos Carthami.

    PubMed

    Wang, Yu-Qing; Tang, Xu; Li, Jia-Fu; Wu, Yun-Long; Sun, Yu-Ying; Fang, Mei-Juan; Wu, Zhen; Wang, Xiu-Min; Qiu, Ying-Kun

    2017-10-13

    A novel on-line comprehensive two-dimensional liquid chromatography (2D-LC) method by coupling mixed-mode gel liquid chromatography (MMG-LC) with reversed phase liquid chromatography (RPLC) was developed. A mixture of 17 reference compounds was used to study the separation mechanism. A crude water extract of Flos Carthami was applied to evaluate the performance of the novel 2D-LC system. In the first dimension, the extract was eluted with a gradient of water/methanol over a cross-linked dextran gel Sephadex LH-20 column. Meanwhile, the advantages of size exclusion, reversed phase partition and adsorption separation mechanism were exploited before further on-line reversed phase purification on the second dimension. This novel on-line mixed-mode Sephadex LH-20×RPLC method provided higher peak resolution, sample processing ability (2.5mg) and better orthogonality (72.9%) versus RPLC×RPLC and hydrophilic interaction liquid chromatography (HILIC)×RPLC. To the best of our knowledge, this is the first report of a mixed-mode Sephadex LH-20×RPLC separation method with successful applications in on-line mode, which might be beneficial for harvesting targets from complicated medicinal plants. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Seasonally-Active Water on Mars: Vapour, Ice, Adsorbate, and the Possibility of Liquid

    NASA Astrophysics Data System (ADS)

    Richardson, M. I.

    2002-12-01

    southern caps. Similar climate-models of the water cycle also do not need much exchangeable adsorbed water in order to explain the observed vapour distributions. The possibility of liquid water is tantalizing, but difficult to definitively judge. On scales greater than a meter or so, Mars is most definitely well away from the water triple point--although the surface pressure can exceed 6.1 mbars, the partial pressure of water vapor (to which the triple point refers) is at best orders of magnitude lower. Several careful studies have shown, however, that locally transient (meta-stable) liquid is possible, if the net heating of ice deposits is high enough. This process is aided if the total surface pressure exceeds 6.1mbar (this prevents boiling, or the explosive loss of vapour into the atmosphere) or if the liquid is covered by a thin ice shell, and is only possible if surface temperatures exceed 273K (for pure water, or the appropriate eutectic for brines) and if ice is present. The former challenge is much easier to meet than the latter. The melt scenario requires that ice deposited in winter must be protected from sublimation as surface temperatures increase in spring, but then exposed to the peak of solar heating in summer. Available spacecraft observations of seasonal water will be discussed with the aid of GCM model simulations, and examined in the context of water distributions and phases.

  4. Delocalization and stretch-bend mixing of the HOH bend in liquid water

    NASA Astrophysics Data System (ADS)

    Carpenter, William B.; Fournier, Joseph A.; Biswas, Rajib; Voth, Gregory A.; Tokmakoff, Andrei

    2017-08-01

    Liquid water's rich sub-picosecond vibrational dynamics arise from the interplay of different high- and low-frequency modes evolving in a strong yet fluctuating hydrogen bond network. Recent studies of the OH stretching excitations of H2O indicate that they are delocalized over several molecules, raising questions about whether the bending vibrations are similarly delocalized. In this paper, we take advantage of an improved 50 fs time-resolution and broadband infrared (IR) spectroscopy to interrogate the 2D IR lineshape and spectral dynamics of the HOH bending vibration of liquid H2O. Indications of strong bend-stretch coupling are observed in early time 2D IR spectra through a broad excited state absorption that extends from 1500 cm-1 to beyond 1900 cm-1, which corresponds to transitions from the bend to the bend overtone and OH stretching band between 3150 and 3550 cm-1. Pump-probe measurements reveal a fast 180 fs vibrational relaxation time, which results in a hot-ground state spectrum that is the same as observed for water IR excitation at any other frequency. The fastest dynamical time scale is 80 fs for the polarization anisotropy decay, providing evidence for the delocalized or excitonic character of the bend. Normal mode analysis conducted on water clusters extracted from molecular dynamics simulations corroborate significant stretch-bend mixing and indicate delocalization of δHOH on 2-7 water molecules.

  5. Low-energy electron inelastic mean free paths for liquid water

    NASA Astrophysics Data System (ADS)

    Nguyen-Truong, Hieu T.

    2018-04-01

    We improve the Mermin–Penn algorithm (MPA) for determining the energy loss function (ELF) within the dielectric formalism. The present algorithm is applicable not only to real metals, but also to materials that have an energy gap in the excitation spectrum. Applying the improved MPA to liquid water, we show that the present algorithm is able to address the ELF overestimation at the energy gap, and the calculated results are in good agreement with experimental data.

  6. Method and apparatus for electrokinetic co-generation of hydrogen and electric power from liquid water microjets

    DOEpatents

    Saykally, Richard J; Duffin, Andrew M; Wilson, Kevin R; Rude, Bruce S

    2013-02-12

    A method and apparatus for producing both a gas and electrical power from a flowing liquid, the method comprising: a) providing a source liquid containing ions that when neutralized form a gas; b) providing a velocity to the source liquid relative to a solid material to form a charged liquid microjet, which subsequently breaks up into a droplet spay, the solid material forming a liquid-solid interface; and c) supplying electrons to the charged liquid by contacting a spray stream of the charged liquid with an electron source. In one embodiment, where the liquid is water, hydrogen gas is formed and a streaming current is generated. The apparatus comprises a source of pressurized liquid, a microjet nozzle, a conduit for delivering said liquid to said microjet nozzle, and a conductive metal target sufficiently spaced from said nozzle such that the jet stream produced by said microjet is discontinuous at said target. In one arrangement, with the metal nozzle and target electrically connected to ground, both hydrogen gas and a streaming current are generated at the target as it is impinged by the streaming, liquid spray microjet.

  7. ETHANOL, ACETIC ACID, AND WATER ADSORPTION FROM BINARY AND TERNARY LIQUID MIXTURES ON HIGH-SILICA ZEOLITES

    EPA Science Inventory

    Adsorption isotherms were measured for ethanol, acetic acid, and water adsorbed on high-silica ZSM-5 zeolite powder from binary and ternary liquid mixtures at room temperature. Ethanol and water adsorption on two high-silica ZSM-5 zeolites with different aluminum contents and a h...

  8. Reduction of water consumption in bioethanol production from triticale by recycling the stillage liquid phase.

    PubMed

    Gumienna, Małgorzata; Lasik, Małgorzata; Szambelan, Katarzyna; Czarnecki, Zbigniew

    2011-01-01

    The distillery stillage is a major and arduous byproduct generated during ethanol production in distilleries. The aim of this study was to evaluate the possibility of the stillage recirculation in the mashing process of triticale for non-byproducts production and reducing the fresh water consumption. The number of recirculation cycles which can be applied without disturbances in the ethanol fermentation process was investigated. Winter triticale BOGO and "Ethanol Red" Saccharomyces cerevisiae yeast were used in the experiments. The method of non-pressure cooking was used for gelatinizingthe triticale, commercial α-amylase SPEZYME ETHYL and glucoamylase FERMENZYME L-400 were applied for starch liquefaction and saccharification. The process was conducted at 30°C for 72 h, next after distillation the stillage was centrifuged and the liquid fraction was used instead of 75% of process water. Ethanol yield from triticale fermentations during 40 cycles ranged between 82% and 95% of theoretical yield preserving yeast vitality and quantity on the same level. The obtained distillates were characterized with enhanced volatile compounds (fusel oil, esters, aldehydes, methanol) as well as protein and potassium concentrations. The liquid part of stillage was proved that can be reused instead of water in bioethanol production from triticale, without disturbing the fermentation process. This investigated solution of distillery byproducts utilization (liquid phase of stillage) constitutes the way which could significantly decrease the bioethanol production costs by reducing the water consumption, as well as wastewater production.

  9. Isotope effects in liquid water probed by transmission mode x-ray absorption spectroscopy at the oxygen K-edge.

    PubMed

    Schreck, Simon; Wernet, Philippe

    2016-09-14

    The effects of isotope substitution in liquid water are probed by x-ray absorption spectroscopy at the O K-edge as measured in transmission mode. Confirming earlier x-ray Raman scattering experiments, the D2O spectrum is found to be blue shifted with respect to H2O, and the D2O spectrum to be less broadened. Following the earlier interpretations of UV and x-ray Raman spectra, the shift is related to the difference in ground-state zero-point energies between D2O and H2O, while the difference in broadening is related to the difference in ground-state vibrational zero-point distributions. We demonstrate that the transmission-mode measurements allow for determining the spectral shapes with unprecedented accuracy. Owing in addition to the increased spectral resolution and signal to noise ratio compared to the earlier measurements, the new data enable the stringent determination of blue shift and broadening in the O K-edge x-ray absorption spectrum of liquid water upon isotope substitution. The results are compared to UV absorption data, and it is discussed to which extent they reflect the differences in zero-point energies and vibrational zero-point distributions in the ground-states of the liquids. The influence of the shape of the final-state potential, inclusion of the Franck-Condon structure, and differences between liquid H2O and D2O resulting from different hydrogen-bond environments in the liquids are addressed. The differences between the O K-edge absorption spectra of water from our transmission-mode measurements and from the state-of-the-art x-ray Raman scattering experiments are discussed in addition. The experimentally extracted values of blue shift and broadening are proposed to serve as a test for calculations of ground-state zero-point energies and vibrational zero-point distributions in liquid H2O and D2O. This clearly motivates the need for new calculations of the O K-edge x-ray absorption spectrum of liquid water.

  10. 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.

  11. On the application of accelerated molecular dynamics to liquid water simulations.

    PubMed

    de Oliveira, César Augusto F; Hamelberg, Donald; McCammon, J Andrew

    2006-11-16

    Our group recently proposed a robust bias potential function that can be used in an efficient all-atom accelerated molecular dynamics (MD) approach to simulate the transition of high energy barriers without any advance knowledge of the potential-energy landscape. The main idea is to modify the potential-energy surface by adding a bias, or boost, potential in regions close to the local minima, such that all transitions rates are increased. By applying the accelerated MD simulation method to liquid water, we observed that this new simulation technique accelerates the molecular motion without losing its microscopic structure and equilibrium properties. Our results showed that the application of a small boost energy on the potential-energy surface significantly reduces the statistical inefficiency of the simulation while keeping all the other calculated properties unchanged. On the other hand, although aggressive acceleration of the dynamics simulation increases the self-diffusion coefficient of water molecules greatly and dramatically reduces the correlation time of the simulation, configurations representative of the true structure of liquid water are poorly sampled. Our results also showed the strength and robustness of this simulation technique, which confirm this approach as a very useful and promising tool to extend the time scale of the all-atom simulations of biological system with explicit solvent models. However, we should keep in mind that there is a compromise between the strength of the boost applied in the simulation and the reproduction of the ensemble average properties.

  12. Isomerization reaction dynamics and equilibrium at the liquid-vapor interface of water. A molecular-dynamics study

    NASA Technical Reports Server (NTRS)

    Benjamin, Ilan; Pohorille, Andrew

    1993-01-01

    The gauche-trans isomerization reaction of 1,2-dichloroethane at the liquid-vapor interface of water is studied using molecular-dynamics computer simulations. The solvent bulk and surface effects on the torsional potential of mean force and on barrier recrossing dynamics are computed. The isomerization reaction involves a large change in the electric dipole moment, and as a result the trans/gauche ratio is considerably affected by the transition from the bulk solvent to the surface. Reactive flux correlation function calculations of the reaction rate reveal that deviation from the transition-state theory due to barrier recrossing is greater at the surface than in the bulk water. This suggests that the system exhibits non-Rice-Ramsperger-Kassel-Marcus behavior due to the weak solvent-solute coupling at the water liquid-vapor interface.

  13. Magnetical hollow fiber bar collection of extract in homogenous ionic liquid microextraction of triazine herbicides in water samples.

    PubMed

    Wang, Kun; Jiang, Jia; Kang, Mingqin; Li, Dan; Zang, Shuang; Tian, Sizhu; Zhang, Hanqi; Yu, Aimin; Zhang, Ziwei

    2017-04-01

    The homogeneous ionic liquid microextraction combined with magnetical hollow fiber bar collection was developed for extracting triazine herbicides from water samples. These analytes were separated and determined by high performance liquid chromatography. The triazines were quickly extracted into ionic liquid microdroplets dispersed in solution, and then these microdroplets were completely collected with magnetical hollow fiber bars; the pores of which were impregnated with hydrophobic ionic liquid, which makes the phase separation simplified with no need of centrifugation. Some experimental parameters, such as the type of ionic liquid, ultrasonic immersion time of hollow fiber, pH of sample solution, volume of hydrophilic ionic liquid, amount of ion-pairing agent NH 4 PF 6 , NaCl concentration, number of magnetical hollow fiber bar, stirring rate, and collection time were investigated and optimized. When the present method was applied to the analysis of real water samples, the precision and recoveries of six triazine herbicides vary from 0.1 to 9.2% and 73.4 to 118.5%, respectively. The detection limits for terbumeton, ametryn, prometryn, terbutryn, trietazine, and dimethametryn were 0.48, 0.15, 0.15, 0.14, 0.35, and 0.16 μg L -1 , respectively.

  14. Liquid-liquid phase transition in an ionic model of silica

    NASA Astrophysics Data System (ADS)

    Chen, Renjie; Lascaris, Erik; Palmer, Jeremy C.

    2017-06-01

    Recent equation of state calculations [E. Lascaris, Phys. Rev. Lett. 116, 125701 (2016)] for an ionic model of silica suggest that it undergoes a density-driven, liquid-liquid phase transition (LLPT) similar to the controversial transition hypothesized to exist in deeply supercooled water. Here, we perform extensive free energy calculations to scrutinize the model's low-temperature phase behavior and confirm the existence of a first-order phase transition between two liquids with identical compositions but different densities. The low-density liquid (LDL) exhibits tetrahedral order, which is partially disrupted in the high-density liquid (HDL) by the intrusion of additional particles into the primary neighbor shell. Histogram reweighting methods are applied to locate conditions of HDL-LDL coexistence and the liquid spinodals that bound the two-phase region. Spontaneous liquid-liquid phase separation is also observed directly in large-scale molecular dynamics simulations performed inside the predicted two-phase region. Given its clear LLPT, we anticipate that this model may serve as a paradigm for understanding whether similar transitions occur in water and other tetrahedral liquids.

  15. Red and blue shift of liquid water's excited states: A many body perturbation study

    NASA Astrophysics Data System (ADS)

    Ziaei, Vafa; Bredow, Thomas

    2016-08-01

    In the present paper, accurate optical absorption spectrum of liquid H2O is calculated in the energy range of 5-20 eV to probe the nature of water's excited states by means of many body perturbation approach. Main features of recent inelastic X-ray measurements are well reproduced, such as a bound excitonic peak at 7.9 eV with a shoulder at 9.4 eV as well as the absorption maximum at 13.9 eV, followed by a broad shoulder at 18.4 eV. The spectrum is dominated by excitonic effects impacting the structures of the spectrum at low and higher energy regimes mixed by single particle effects at high energies. The exciton distribution of the low-energy states, in particular of S1, is highly anisotropic and localized mostly on one water molecule. The S1 state is essentially a HOCO-LUCO (highest occupied crystal orbital - lowest unoccupied crystal orbital) transition and of intra-molecular type, showing a localized valence character. Once the excitation energy is increased, a significant change in the character of the electronically excited states occurs, characterized through emergence of multiple quasi-particle peaks at 7.9 eV in the quasi-particle (QP) transition profile and in the occurring delocalized exciton density distribution, spread over many more water molecules. The exciton delocalization following a change of the character of excited states at around 7.9 eV causes the blue shift of the first absorption band with respect to water monomer S1. However, due to reduction of the electronic band gap from gas to liquid phase, following enhanced screening upon condensation, the localized S1 state of liquid water is red-shifted with respect to S1 state of water monomer. For higher excitations, near vertical ionization energy (11 eV), quasi-free electrons emerge, in agreement with the conduction band electron picture. Furthermore, the occurring red and blue shift of the excited states are independent of the coupling of resonant and anti-resonant contributions to the

  16. Deep eutectic solvent-based ultrasound-assisted dispersive liquid-liquid microextraction coupled with high-performance liquid chromatography for the determination of ultraviolet filters in water samples.

    PubMed

    Wang, Huazi; Hu, Lu; Liu, Xinya; Yin, Shujun; Lu, Runhua; Zhang, Sanbing; Zhou, Wenfeng; Gao, Haixiang

    2017-09-22

    In the present study, a simple and rapid sample preparation method designated ultrasound-assisted dispersive liquid-liquid microextraction based on a deep eutectic solvent (DES) followed by high-performance liquid chromatography with ultraviolet (UV) detection (HPLC-UVD) was developed for the extraction and determination of UV filters from water samples. The model analytes were 2,4-dihydroxybenzophenone (BP-1), benzophenone (BP) and 2-hydroxy-4-methoxybenzophenone (BP-3). The hydrophobic DES was prepared by mixing trioctylmethylammonium chloride (TAC) and decanoic acid (DecA). Various influencing factors (selection of the extractant, amount of DES, ultrasound duration, salt addition, sample volume, sample pH, centrifuge rate and duration) on UV filter recovery were systematically investigated. Under optimal conditions, the proposed method provided good recoveries in the range of 90.2-103.5% and relative standard deviations (inter-day and intra-day precision, n=5) below 5.9%. The enrichment factors for the analytes ranged from 67 to 76. The limits of detection varied from 0.15 to 0.30ngmL -1 , depending on the analytes. The linearities were between 0.5 and 500ngmL -1 for BP-1 and BP and between 1 and 500ngmL -1 for BP-3, with coefficients of determination greater than 0.99. Finally, the proposed method was applied to the determination of UV filters in swimming pool and river water samples, and acceptable relative recoveries ranging from 82.1 to 106.5% were obtained. Copyright © 2017. Published by Elsevier B.V.

  17. Water injection into vapor- and liquid-dominated reservoirs: Modeling of heat transfer and mass transport

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

    Pruess, K.; Oldenburg, C.; Moridis, G.

    1997-12-31

    This paper summarizes recent advances in methods for simulating water and tracer injection, and presents illustrative applications to liquid- and vapor-dominated geothermal reservoirs. High-resolution simulations of water injection into heterogeneous, vertical fractures in superheated vapor zones were performed. Injected water was found to move in dendritic patterns, and to experience stronger lateral flow effects than predicted from homogeneous medium models. Higher-order differencing methods were applied to modeling water and tracer injection into liquid-dominated systems. Conventional upstream weighting techniques were shown to be adequate for predicting the migration of thermal fronts, while higher-order methods give far better accuracy for tracer transport.more » A new fluid property module for the TOUGH2 simulator is described which allows a more accurate description of geofluids, and includes mineral dissolution and precipitation effects with associated porosity and permeability change. Comparisons between numerical simulation predictions and data for laboratory and field injection experiments are summarized. Enhanced simulation capabilities include a new linear solver package for TOUGH2, and inverse modeling techniques for automatic history matching and optimization.« less

  18. Liquid structure of the urea-water system studied by dielectric spectroscopy.

    PubMed

    Hayashi, Yoshihito; Katsumoto, Yoichi; Omori, Shinji; Kishii, Noriyuki; Yasuda, Akio

    2007-02-08

    Dielectric spectroscopy measurements for aqueous urea solutions were performed at 298 K through a concentration range from 0.5 to 9.0 M with frequencies between 200 MHz and 40 GHz. Observed dielectric spectra were well represented by the superposition of two Debye type relaxation processes attributable to the bulk-water clusters and the urea-water coclusters. Our quantitative analysis of the spectra shows that the number of hydration water molecules is approximately two per urea molecule for the lower concentration region below 5.0 M, while the previous molecular dynamics studies predicted approximately six water molecules. It was also indicated by those studies, however, that there are two types of hydration water molecule in urea solution, which are strongly and weakly associated to the urea molecule, respectively. Only the strongly associated water was distinguishable in our analysis, while the weakly associated water exhibited the same dynamic feature as bulk water. This implies that urea retains the weakly associated water in the tetrahedral structure and, thus, is not a strong structure breaker of water. We also verified the model of liquid water where water consists of two states: the icelike-ordered and dense-disordered phases. Our dielectric data did not agree with the theoretical prediction based on the two-phase model. The present work supports the argument that urea molecules can easily replace near-neighbor water in the hydrogen-bonding network and do not require the presence of the disordered phase of water to dissolve into water.

  19. Dispersive liquid-liquid microextraction combined with online preconcentration MEKC for the determination of some phenoxyacetic acids in drinking water.

    PubMed

    Zhang, Yaohai; Jiao, Bining

    2013-09-01

    A fast and simple technique composed of dispersive liquid-liquid microextraction (DLLME) and online preconcentration MEKC with diode array detection was developed for the determination of four phenoxyacetic acids, 2,4,5-trichlorophenoxyacetic acid, 2,4-dichlorophenoxyacetic acid, 2,6-dichlorophenoxyacetic acid, and 4-chlorophenoxyacetic acid, in drinking water. The four phenoxyacetic acids were separated in reversed-migration MEKC to the baseline. About 145-fold increases in detection sensitivity were observed with online concentration strategy, compared with standard hydrodynamic injection (5 s at 25 mbar pressure). LODs ranged from 0.002 to 0.005 mg/L using only the online preconcentration procedures without any offline concentration of the extract. A DLLME procedure was used in combination with the proposed online preconcentration strategies, which achieved the determination of analytes at limits of quantification ranging from 0.2 to 0.5 μg/kg, which is far lower than the maximum residue limits established by China. The satisfactory recoveries obtained by DLMME spiked at two levels ranged from 67.2 to 99.4% with RSD <15%, making this proposed method suitable for the determination of phenoxyacetic acids in water samples. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Study of correlations from Ab-Initio Simulations of Liquid Water

    NASA Astrophysics Data System (ADS)

    Soto, Adrian; Fernandez-Serra, Marivi; Lu, Deyu; Yoo, Shinjae

    An accurate understanding of the dynamics and the structure of H2O molecules in the liquid phase is of extreme importance both from a fundamental and from a practical standpoint. Despite the successes of Molecular Dynamics (MD) with Density Functional Theory (DFT), liquid water remains an extremely difficult material to simulate accurately and efficiently because of fine balance between the covalent O-H bond, the hydrogen bond and the attractive the van der Waals forces. Small errors in those produce dramatic changes in the macroscopic properties of the liquid or in its structural properties. Different density functionals produce answers that differ by as much as 35% in ambient conditions, with none producing quantitative results in agreement with experiment at different mass densities [J. Chem Phys. 139, 194502(2013)]. In order to understand these differences we perform an exhaustive scanning of the geometrical coordinates of MD simulations and study their statistical correlations with the simulation output quantities using advanced correlation analyses and machine learning techniques. This work was partially supported by DOE Award No. DE-FG02-09ER16052, by DOE Early Career Award No. DE-SC0003871, by BNL LDRD 16-039 project and BNL Contract No. DE-SC0012704.

  1. EPR Evidence of Liquid Water in Ice: An Intrinsic Property of Water or a Self-Confinement Effect?

    PubMed

    Thangswamy, Muthulakshmi; Maheshwari, Priya; Dutta, Dhanadeep; Rane, Vinayak; Pujari, Pradeep K

    2018-06-01

    Liquid water (LW) existence in pure ice below 273 K has been a controversial aspect primarily because of the lack of experimental evidence. Recently, electron paramagnetic resonance (EPR) has been used to study deeply supercooled water in a rapidly frozen polycrystalline ice. The same technique can also be used to probe the presence of LW in polycrystalline ice that has formed through a more conventional, slow cooling one. In this context, the present study aims to emphasize that in case of an external probe involving techniques such as EPR, the results are influenced by the binary phase (BP) diagram of the probe-water system, which also predicts the existence of LW domains in ice, up to the eutectic point. Here we report the results of our such EPR spin-probe studies on water, which demonstrate that smaller the concentration of the probe stronger is the EPR evidence of liquid domains in polycrystalline ice. We used computer simulations based on stochastic Liouville theory to analyze the lineshapes of the EPR spectra. We show that the presence of the spin probe modifies the BP diagram of water, at very low concentrations of the spin probe. The spin probe thus acts, not like a passive reporter of the behavior of the solvent and its environment, but as an active impurity to influence the solvent. We show that there exists a lower critical concentration, below which BP diagram needs to be modified, by incorporating the effect of confinement of the spin probe. With this approach, we demonstrate that the observed EPR evidence of LW domains in ice can be accounted for by the modified BP diagram of the probe-water system. The present work highlights the importance of taking cognizance of the possibility of spin probes affecting the host systems, when interpreting the EPR (or any other probe based spectroscopic) results of phase transitions of host, as its ignorance may lead to serious misinterpretations.

  2. A cobalt(II) bis(salicylate)-based ionic liquid that shows thermoresponsive and selective water coordination

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

    Kohno, Y; Cowan, MG; Masuda, M

    2014-01-01

    A metal-containing ionic liquid (MCIL) has been prepared in which the [CoII(salicylate)(2)](2-) anion is able to selectively coordinate two water molecules with a visible colour change, even in the presence of alcohols. Upon moderate heating or placement in vacuo, the hydrated MCIL undergoes reversible thermochromism by releasing the bound water molecules.

  3. Water Flow Performance of a Superscale Model of the Fastrac Liquid Oxygen Pump

    NASA Technical Reports Server (NTRS)

    Skelley, Stephen; Zoladz, Thomas

    2001-01-01

    As part of the National Aeronautics and Space Administration's ongoing effort to lower the cost of access to space, the Marshall Space Flight Center has developed a rocket engine with 60,000 pounds of thrust for use on the Reusable Launch Vehicle technology demonstrator slated for launch in 2000. This gas generator cycle engine, known as the Fastrac engine, uses liquid oxygen and RP-1 for propellants and includes single stage liquid oxygen and RP-1 pumps and a single stage supersonic turbine on a common shaft. The turbopump design effort included the first use and application of new suction capability prediction codes and three-dimensional blade generation codes in an attempt to reduce the turbomachinery design and certification costs typically associated with rocket engine development. To verify the pump's predicted cavitation performance, a water flow test of a superscale model of the Fastrac liquid oxygen pump was conducted to experimentally evaluate the liquid oxygen pump's performance at and around the design point. The water flow test article replicated the flow path of the Fastrac liquid oxygen pump in a 1.582x scale model, including scaled seal clearances for correct leakage flow at a model operating speed of 5000 revolutions per minute. Flow entered the 3-blade axial-flow inducer, transitioned to a shrouded, 6- blade radial impeller, and discharged into a vaneless radial diffuser and collection volute. The test article included approximately 50 total and static pressure measurement locations as well as flush-mounted, high frequency pressure transducers for complete mapping of the pressure environment. The primary objectives of the water flow test were to measure the steady-state and dynamic pressure environment of the liquid oxygen pump versus flow coefficient, suction specific speed, and back face leakage flow rate. Initial results showed acceptable correlation between the predicted and experimentally measured pump head rise at low suction specific speeds

  4. Combustion Characteristics of Nanoaluminum, Liquid Water, and Hydrogen Peroxide Mixtures

    DTIC Science & Technology

    2008-01-01

    Sabourin a, Richard A. Yetter a, Grant A. Risha b, Steven F. Son c and B. C. Tappan d a The Pennsylvania State University, University Park, PA, USA b...www.elsevier.com/locate/combustflame Combustion characteristics of nanoaluminum, liquid water, and hydrogen peroxide mixtures J.L. Sabourin a,∗, G.A. Risha b...Efficiency* Corresponding author. Fax: +1 (814) 865 3389. E-mail address: jls861@psu.edu (J.L. Sabourin ).0010-2180/$ – see front matter © 2008 The Combustion

  5. Novel determination of polychlorinated naphthalenes in water by liquid chromatography-mass spectrometry with atmospheric pressure photoionization.

    PubMed

    Moukas, Athanasios I; Thomaidis, Nikolaos S; Calokerinos, Antony C

    2016-01-01

    This study presents the development, optimization, and validation of a novel method for the determination of polychlorinated naphthalenes (PCNs) by liquid chromatography-atmospheric pressure photoionization (APPI), using toluene as dopant. The mass spectra of PCN 52, 54, 66, 67, 73, and 75 were recorded in negative ionization. The base ions corresponded to [M-Cl+O](-), where M is the analyte molecule. A strategy, which includes designs of experiments, for the development, the evaluation, and the optimization of the LC-APPI-MS/MS methods is also described. Finally, a highly sensitive method with low instrumental limits of detection (LoDs), ranging from 0.8 pg for PCN 75 to 16 pg for PCN 54 on column, was validated. A Thermo Hypersil Green PAH (100 mm × 2.1 mm, 3 μm) column was used with acetonitrile/water/methanol as mobile phase. The method was applied for the determination of the selected PCNs in surface and tap water samples. A simple liquid-liquid extraction method for the extraction of PCNs from water samples was used. Method LoQs ranged from 29 ng L(-1), for PCN 73, to 63 ng L(-1), for PCN 54, and the recoveries ranged from 97 to 99%, for all congeners. This is the first LC-APPI-MS/MS method for the determination of PCNs in water samples.

  6. Ionic liquid marbles.

    PubMed

    Gao, Lichao; McCarthy, Thomas J

    2007-10-09

    Liquid marbles have been reported during this decade and have been argued to be potentially useful for microfluidic and lab-on-a-chip applications. The liquid marbles described to date have been composed of either water or glycerol as the liquid and hydrophobized lycopodium or silica as the stabilizing particles. Both of these components are potentially reactive and do not permit the use of organic chemistry; the liquids are volatile. We report the use of perfluoroalkyl particles (oligomeric (OTFE) and polymeric (PTFE) tetrafluoroethylene, which are unreactive) to support/stabilize a range of ionic liquid marbles. Ionic liquids are not volatile and have been demonstrated to be versatile solvents for chemical transformations. Water marbles prepared with OTFE are much more robust than those prepared with hydrophobized lycopodium or silica.

  7. Dispersive liquid-liquid microextraction based on solidification of floating organic droplet for the determination of triazine and triazoles in mineral water samples.

    PubMed

    Bolzan, Cátia M; Caldas, Sergiane S; Guimarães, Bruno S; Primel, Ednei G

    2016-09-01

    A simple, rapid, and sensitive method for the determination of atrazine, simazine, cyproconazole, tebuconazole, and epoxiconazole in mineral water employing the dispersive liquid-liquid microextraction with solidification of a floating organic drop with determination by liquid chromatography tandem mass spectrometry has been developed. A mixed solution of 250 μL 1-dodecanol and 1250 μL methanol was injected rapidly into 10 mL aqueous solution (pH 7.0) with 2% w/v NaCl. After centrifugation for 5 min at 2000 rpm, the organic solvent droplets floated on the surface of the aqueous solution and the floating solvent solidified. The method limits of detection were between 3.75 and 37.5 ng/L and limits of quantification were between 12.5 and 125 ng/L. The recoveries ranged from 70 to 118% for repeatability and between 76 and 95% for intermediate precision with a relative standard deviation from 2 to 18% for all compounds. Low matrix effect was observed. The proposed method can be successfully applied in routine analysis for determination of pesticide residues in mineral water samples, allowing for monitoring of triazine and triazoles at levels below the regulatory limits set by international and national legislations. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. WATER-TRAPPED WORLDS

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

    Menou, Kristen

    2013-09-01

    Although tidally locked habitable planets orbiting nearby M-dwarf stars are among the best astronomical targets to search for extrasolar life, they may also be deficient in volatiles and water. Climate models for this class of planets show atmospheric transport of water from the dayside to the nightside, where it is precipitated as snow and trapped as ice. Since ice only slowly flows back to the dayside upon accumulation, the resulting hydrological cycle can trap a large amount of water in the form of nightside ice. Using ice sheet dynamical and thermodynamical constraints, I illustrate how planets with less than aboutmore » a quarter the Earth's oceans could trap most of their surface water on the nightside. This would leave their dayside, where habitable conditions are met, potentially dry. The amount and distribution of residual liquid water on the dayside depend on a variety of geophysical factors, including the efficiency of rock weathering at regulating atmospheric CO{sub 2} as dayside ocean basins dry up. Water-trapped worlds with dry daysides may offer similar advantages as land planets for habitability, by contrast with worlds where more abundant water freely flows around the globe.« less

  9. Water Pipeline Monitoring and Leak Detection using Flow Liquid Meter Sensor

    NASA Astrophysics Data System (ADS)

    Rahmat, R. F.; Satria, I. S.; Siregar, B.; Budiarto, R.

    2017-04-01

    Water distribution is generally installed through underground pipes. Monitoring the underground water pipelines is more difficult than monitoring the water pipelines located on the ground in open space. This situation will cause a permanent loss if there is a disturbance in the pipeline such as leakage. Leaks in pipes can be caused by several factors, such as the pipe’s age, improper installation, and natural disasters. Therefore, a solution is required to detect and to determine the location of the damage when there is a leak. The detection of the leak location will use fluid mechanics and kinematics physics based on harness water flow rate data obtained using flow liquid meter sensor and Arduino UNO as a microcontroller. The results show that the proposed method is able to work stably to determine the location of the leak which has a maximum distance of 2 metres, and it’s able to determine the leak location as close as possible with flow rate about 10 litters per minute.

  10. Abundant plankton-sized microplastic particles in shelf waters of the northern Gulf of Mexico.

    PubMed

    Di Mauro, Rosana; Kupchik, Matthew J; Benfield, Mark C

    2017-11-01

    Accumulation of marine debris is a global problem that affects the oceans on multiple scales. The majority of floating marine debris is composed of microplastics: plastic particles up to 5 mm in diameter. With similar sizes and appearances to natural food items, these small fragments pose potential risks to many marine organisms including zooplankton and zooplanktivores. Semi-enclosed seas are reported to have high concentrations of microplastics, however, the distribution and concentration of microplastics in one such system, the Gulf of Mexico, remains unknown. Our study documented and characterized microplastics in continental shelf waters off the Louisiana coast in the northern Gulf of Mexico, using bongo nets, neuston nets, and Niskin bottles. Additionally, we compared the size distributions of microplastics and zooplankton collected using the nets. Plastics were manually sorted from the samples, documented, and measured using digital microscopy. Confirmation of putative plastics was carried out by hydrofluoric acid digestion and a subsample was analyzed using FTIR microscopy. Estimated concentrations of microplastics collected on the inner continental shelf during this study are among the highest reported globally. Total microplastic concentrations ranged from 4.8 to 8.2 particles m -3 and 5.0-18.4 particles m -3 for the bongo and neuston samples, respectively. Niskin bottles collected smaller plastic particles than the nets and indicated total microplastic concentrations (primarily fibers) from 6.0E4 - 15.7E4 particles m -3 . Microplastic concentrations were greater than the abundances of all but four of the five most abundant taxa from bongo nets and were not statistically different from the abundances of any of the most numerous taxa from neuston nets. Sizes of microplastics and zooplankton partially or completely overlapped, suggesting the potential for confusion with natural prey. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Extraction of triazole fungicides in environmental waters utilizing poly (ionic liquid)-functionalized magnetic adsorbent.

    PubMed

    Liu, Cheng; Liao, Yingmin; Huang, Xiaojia

    2017-11-17

    This work prepared a new poly (ionic liquid)-functionalized magnetic adsorbent (PFMA) for the extraction of triazole fungicides (TFs) in environmental waters prior to determination by high performance liquid chromatography/diode array detection (HPLC-DAD). A polymerizable ionic liquid, 1-methyl-3-allylimidazolium bis(trifluoromethylsulfonyl)imide was employed to copolymerize with divinylbenzene on the surface of modified magnetite to fabricate the PFMA. The morphology, spectroscopic and magnetic properties of the new adsorbent were investigated by different techniques. A series of key parameters that influence the extraction performance including the amount of PFMA, desorption solvent, adsorption and desorption time, sample pH value and ionic strength were optimized in detail. Under the optimum conditions, the prepared PFMA could extract targeted TFs effectively and quickly under the format of magnetic solid-phase extraction (MSPE). Satisfactory linearities were achieved in the range of 0.1-200.0μg/L for triadimenol and 0.05-200.0μg/L for other TFs with good coefficients of determination above 0.99 for all analytes. The limits of detection (S/N=3) and limits of quantification (S/N=10) for TFs were in the range of 0.0050-0.0078μg/L and 0.017-0.026μg/L, respectively. Environmental waters including lake, river and well waters were used to demonstrate the applicability of developed MSPE-HPLC-DAD method, and satisfactory recoveries and repeatability were obtained. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Expanding the calculation of activation volumes: Self-diffusion in liquid water

    NASA Astrophysics Data System (ADS)

    Piskulich, Zeke A.; Mesele, Oluwaseun O.; Thompson, Ward H.

    2018-04-01

    A general method for calculating the dependence of dynamical time scales on macroscopic thermodynamic variables from a single set of simulations is presented. The approach is applied to the pressure dependence of the self-diffusion coefficient of liquid water as a particularly useful illustration. It is shown how the activation volume associated with diffusion can be obtained directly from simulations at a single pressure, avoiding approximations that are typically invoked.

  13. Diversity, abundance, and possible sources of fecal bacteria in the Yangtze River.

    PubMed

    Sun, Haohao; He, Xiwei; Ye, Lin; Zhang, Xu-Xiang; Wu, Bing; Ren, Hongqiang

    2017-03-01

    The fecal bacteria in natural waters may pose serious risks on human health. Although many source tracking methods have been developed and used to determine the possible sources of the fecal pollution, little is known about the overall diversity and abundance of fecal bacterial community in natural waters. In this study, a method based on fecal bacterial sequence library was introduced to evaluate the fecal bacterial profile in the Yangtze River (Nanjing section). Our results suggested that the Yangtze River water harbors diverse fecal bacteria. Fifty-eight fecal operational taxonomic units (97% identity level) were detected in the Yangtze River water samples and the relative abundance of fecal bacteria in these samples ranged from 0.1 to 8%. It was also found that the relative abundances of the fecal bacteria in locations near to the downstream of wastewater treatment plants were obviously higher than those in other locations. However, the high abundance of fecal bacteria could decrease to the normal level in 2~4 km in the river due to degradation or dilution, and the overall fecal bacteria level changed little when the Yangtze River flew through the Nanjing City. Moreover, the fecal bacteria in the Yangtze River water were found to be highly associated (Spearman rho = 0.804, P < 0.001) with the potential pathogenic bacteria. Collectively, the findings in this study reveal the diversity, abundance, and possible sources of fecal bacteria in the Yangtze River and advance our understandings of the fecal bacteria community in the natural waters.

  14. Chiral lyotropic chromonic liquid crystals composed of disodium cromoglycate doped with water-soluble chiral additives.

    PubMed

    Shirai, Tatsuya; Shuai, Min; Nakamura, Keita; Yamaguchi, Akihiro; Naka, Yumiko; Sasaki, Takeo; Clark, Noel A; Le, Khoa V

    2018-02-28

    We investigated the pitches of cholesteric liquid crystals prepared by mixing disodium cromoglycate (DSCG) in water with 5 different water-soluble chiral additives. The measurements are based on the Grandjean-Cano wedge cell method. Overall, the twisting effect is weak, and the shortest pitch of 2.9 ± 0.2 μm is obtained using trans-4-hydroxy-l-proline, by which the cholesteric sample is iridescent at certain viewing angles. Freeze-fracture transmission electron microscopy (FFTEM) was also performed for the first time on both the nematic and cholesteric phases, revealing that stacked chromonic aggregates are very long, up to a few hundred nm, which explains why cholesteric chromonic liquid crystals hardly have pitches in the visible wavelength region.

  15. Determination of Wastewater Compounds in Whole Water by Continuous Liquid-Liquid Extraction and Capillary-Column Gas Chromatography/Mass Spectrometry

    USGS Publications Warehouse

    Zaugg, Steven D.; Smith, Steven G.; Schroeder, Michael P.

    2006-01-01

    A method for the determination of 69 compounds typically found in domestic and industrial wastewater is described. The method was developed in response to increasing concern over the impact of endocrine-disrupting chemicals on aquatic organisms in wastewater. This method also is useful for evaluating the effects of combined sanitary and storm-sewer overflow on the water quality of urban streams. The method focuses on the determination of compounds that are indicators of wastewater or have endocrine-disrupting potential. These compounds include the alkylphenol ethoxylate nonionic surfactants, food additives, fragrances, antioxidants, flame retardants, plasticizers, industrial solvents, disinfectants, fecal sterols, polycyclic aromatic hydrocarbons, and high-use domestic pesticides. Wastewater compounds in whole-water samples were extracted using continuous liquid-liquid extractors and methylene chloride solvent, and then determined by capillary-column gas chromatography/mass spectrometry. Recoveries in reagent-water samples fortified at 0.5 microgram per liter averaged 72 percent ? 8 percent relative standard deviation. The concentration of 21 compounds is always reported as estimated because method recovery was less than 60 percent, variability was greater than 25 percent relative standard deviation, or standard reference compounds were prepared from technical mixtures. Initial method detection limits averaged 0.18 microgram per liter. Samples were preserved by adding 60 grams of sodium chloride and stored at 4 degrees Celsius. The laboratory established a sample holding-time limit prior to sample extraction of 14 days from the date of collection.

  16. Zero Liquid Discharge (ZLD) System for Flue-Gas Derived Water From Oxy-Combustion Process

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

    Sivaram Harendra; Danylo Oryshchyn; Thomas Ochs

    2011-10-16

    Researchers at the National Energy Technology Laboratory (NETL) located in Albany, Oregon, have patented a process - Integrated Pollutant Removal (IPR) that uses off-the-shelf technology to produce a sequestration ready CO{sub 2} stream from an oxy-combustion power plant. Capturing CO{sub 2} from fossil-fuel combustion generates a significant water product which can be tapped for use in the power plant and its peripherals. Water condensed in the IPR{reg_sign} process may contain fly ash particles, sodium (from pH control), and sulfur species, as well as heavy metals, cations and anions. NETL is developing a treatment approach for zero liquid discharge while maximizingmore » available heat from IPR. Current treatment-process steps being studied are flocculation/coagulation, for removal of cations and fine particles, and reverse osmosis, for anion removal as well as for scavenging the remaining cations. After reverse osmosis process steps, thermal evaporation and crystallization steps will be carried out in order to build the whole zero liquid discharge (ZLD) system for flue-gas condensed wastewater. Gypsum is the major product from crystallization process. Fast, in-line treatment of water for re-use in IPR seems to be one practical step for minimizing water treatment requirements for CO{sub 2} capture. The results obtained from above experiments are being used to build water treatment models.« less

  17. Novel electrospun gas diffusion layers for polymer electrolyte membrane fuel cells: Part II. In operando synchrotron imaging for microscale liquid water transport characterization

    NASA Astrophysics Data System (ADS)

    Chevalier, S.; Ge, N.; Lee, J.; George, M. G.; Liu, H.; Shrestha, P.; Muirhead, D.; Lavielle, N.; Hatton, B. D.; Bazylak, A.

    2017-06-01

    This is the second paper in a two-part series in which we investigate the impact of the gas diffusion layer structure on the liquid water distribution in an operating polymer electrolyte membrane (PEM) fuel cell through the procedures of design, fabrication, and testing of novel hydrophobic electrospun gas diffusion layers (eGDLs). In this work, fibre diameters and alignment in eGDLs are precisely controlled, and concurrent synchrotron X-ray radiography and electrochemical impedance spectroscopy (EIS) are used to evaluate the influence of the controlled eGDL parameters on the liquid water distribution and on membrane liquid water content. For eGDLs with small fibre diameters (150-200 nm) and correspondingly smaller pore sizes, reduced liquid water accumulation under the flow field ribs is observed. However, more liquid water is pinned onto the eGDL - at the interface with flow field channels. Orienting fibre alignment perpendicular to the flow field channel direction leads to improved eGDL-catalyst layer contact and prevents rib-channel membrane deformation. On the other hand, eGDLs facilitate significant membrane dry-out, even under highly humidified operating conditions at high current densities.

  18. Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble

    NASA Astrophysics Data System (ADS)

    Zheng, Lixin; Chen, Mohan; Sun, Zhaoru; Ko, Hsin-Yu; Santra, Biswajit; Dhuvad, Pratikkumar; Wu, Xifan

    2018-04-01

    We perform ab initio molecular dynamics (AIMD) simulation of liquid water in the canonical ensemble at ambient conditions using the strongly constrained and appropriately normed (SCAN) meta-generalized-gradient approximation (GGA) functional approximation and carry out systematic comparisons with the results obtained from the GGA-level Perdew-Burke-Ernzerhof (PBE) functional and Tkatchenko-Scheffler van der Waals (vdW) dispersion correction inclusive PBE functional. We analyze various properties of liquid water including radial distribution functions, oxygen-oxygen-oxygen triplet angular distribution, tetrahedrality, hydrogen bonds, diffusion coefficients, ring statistics, density of states, band gaps, and dipole moments. We find that the SCAN functional is generally more accurate than the other two functionals for liquid water by not only capturing the intermediate-range vdW interactions but also mitigating the overly strong hydrogen bonds prescribed in PBE simulations. We also compare the results of SCAN-based AIMD simulations in the canonical and isothermal-isobaric ensembles. Our results suggest that SCAN provides a reliable description for most structural, electronic, and dynamical properties in liquid water.

  19. Determination of selected azaarenes in water by bonded-phase extraction and liquid chromatography

    USGS Publications Warehouse

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

    1986-01-01

    A method for the rapid and simple quantitative determination of quinoline, isoquinoline, and five selected three-ring azaarenes in water has been developed. The azaarene fraction is separated from its carbon analogues on n-octadecyl packing material by edition with acidified water/acetonitrile. Concentration as great as 1000-fold is achieved readily. Instrumental analysis involves high-speed liquid chromatography on flexible-walled, wide-bore columns with fluorescence and ultraviolet detection at several wavelengths employing filter photometers in series. Method-validation data is provided as azaarene recovery efficiency from fortified samples. Distilled water, river water, contaminated ground water, and secondary-treatment effluent have been tested. Recoveries at part-per-billion levels are nearly quantitative for the three-ring compounds, but they decrease for quinoline and isoquinoline. ?? 1986 American Chemical Society.

  20. Estimating Water Ice Abundance from Short-Wave Infrared Spectra of Drill Cuttings at Cryogenic Temperatures

    NASA Technical Reports Server (NTRS)

    Roush, Ted L.; Colaprete, Anthony; Kleinhenz, Julie; Cook, Amanda

    2017-01-01

    NASA's Resource Prospector (RP) mission intends to visit a lunar polar region to characterize the volatile distribution. Part of the RP payload, the Near-infrared Volatile Spectrometer System (NIRVSS) is a spectrometer operating from 1600-3400 nm that provides sensitivity to water ice, and other volatiles. For multiple years, the NIRVSS system has been incorporated into on-going RP payload testing in a cryogenic vacuum facility at Glenn Research Center. Soil tubes of lunar simulants, prepared with known amounts of water, are placed in the vacuum chamber and cooled to cryogenic temperatures (soil temperatures of 110-170 K) and placed under low vacuum (a few x 10(exp -6) Torr). During these tests NIRVSS continuously measures spectra of soil cuttings emplaced onto the surface by a drill. Real time processing of NIRVSS spectra produces two spectral parameters associated with water ice absorption features near 2000 and 3000 nm that can be used to inform decision making activities such as delivery of the soil to a sealable container. Post-test collection and analyses of the soils permit characterization the water content as a function of depth. These water content profiles exhibit the characteristics of a vacuum desiccation zone to depths of about 40 cm. Subsequent to completion of the tests, NIRVSS spectra are processed to produce two spectral parameters associated with water ice absorption features near 2000 and 3000 nm. These features can be evaluated as a function of time, and correlated with drill depth, and other measurements, throughout the drilling activities. Until now no effort was attempted to quantitatively relate these parameters to water abundance. This is the focus of our efforts to be presented.