Scale dependence of entrainment-mixing mechanisms in cumulus clouds

DOE PAGES

Lu, Chunsong; Liu, Yangang; Niu, Shengjie; ...

2014-12-17

This work empirically examines the dependence of entrainment-mixing mechanisms on the averaging scale in cumulus clouds using in situ aircraft observations during the Routine Atmospheric Radiation Measurement Aerial Facility Clouds with Low Optical Water Depths Optical Radiative Observations (RACORO) field campaign. A new measure of homogeneous mixing degree is defined that can encompass all types of mixing mechanisms. Analysis of the dependence of the homogenous mixing degree on the averaging scale shows that, on average, the homogenous mixing degree decreases with increasing averaging scales, suggesting that apparent mixing mechanisms gradually approach from homogeneous mixing to extreme inhomogeneous mixing with increasingmore » scales. The scale dependence can be well quantified by an exponential function, providing first attempt at developing a scale-dependent parameterization for the entrainment-mixing mechanism. The influences of three factors on the scale dependence are further examined: droplet-free filament properties (size and fraction), microphysical properties (mean volume radius and liquid water content of cloud droplet size distributions adjacent to droplet-free filaments), and relative humidity of entrained dry air. It is found that the decreasing rate of homogeneous mixing degree with increasing averaging scales becomes larger with larger droplet-free filament size and fraction, larger mean volume radius and liquid water content, or higher relative humidity. The results underscore the necessity and possibility of considering averaging scale in representation of entrainment-mixing processes in atmospheric models.« less

Phase transformation of mixed-phase clouds

NASA Astrophysics Data System (ADS)

Korolev, Alexei; Isaac, George

2003-01-01

The glaciation time of a mixed-phase cloud due to the Wegener-Bergeron-Findeisen mechanism is calculated using an adiabatic one-dimensional numerical model for the cases of zero, ascending, descending and oscillating vertical velocities. The characteristic values of the glaciation time are obtained for different concentrations of ice particles and liquid-water content. Steady state is not possible for the ice-water content/total water content ratio in a uniformly vertically moving mixed-phase parcel. The vertical oscillation of a cloud parcel may result in a periodic evaporation and activation of liquid droplets in the presence of ice particles during infinite time. After a certain time, the average ice-water content and liquid-water content reach a steady state. This phenomenon may explain the existence of long-lived mixed-phase stratiform layers. The obtained results are important for understanding the mechanisms of formation and life cycle of mixed-phase clouds.

Heat-transfer tests of aqueous ethylene glycol solutions in an electrically heated tube

NASA Technical Reports Server (NTRS)

Bernardo, Everett; Eian, Carroll S

1945-01-01

As part of an investigation of the cooling characteristics of liquid-cooled engines, tests were conducted with an electrically heated single-tube heat exchanger to determine the heat-transfer characteristics of an-e-2 ethylene glycol and other ethylene glycol-water mixtures. Similar tests were conducted with water and commercial butanol (n-butyl alcohol) for check purposes. The results of tests conducted at an approximately constant liquid-flow rate of 0.67 pound per second (Reynolds number, 14,500 to 112,500) indicate that at an average liquid temperature 200 degrees f, the heat-transfer coefficients obtained using water, nominal (by volume) 30 percent-70 percent and 70 percent-30 percent glycol-water mixtures are approximately 3.8, 2.8, and 1.4 times higher, respectively, than the heat-transfer coefficients obtained using an-e-2 ethylene glycol.

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 accurate amounts of cloud liquid water can be retrieved from SSM/I observations for nonprecipitating cloud systems, particularly in areas of persistent stratocumulus clouds, with less accurate retrievals in tropical regions.

Effect of drinking compared with eating sugars or whey protein on short-term appetite and food intake.

PubMed

Akhavan, T; Luhovyy, B L; Anderson, G H

2011-04-01

It is hypothesized that a solid form of food or food components suppresses subjective appetite and short-term food intake (FI) more than a liquid form. To compare the effect of eating solid vs drinking liquid forms of gelatin, sucrose and its component mixtures, and whey protein, on subjective appetite and FI in young men. A randomized crossover design was used in three experiments in which the subjects were healthy males of normal weight. Solid and liquid forms of gelatin (6 g) (experiment 1, n=14), sucrose (75 g) and a mixture of 50% glucose/50% fructose (G50:F50) (experiment 2, n=15), and acid and sweet whey protein (50 g) (experiment 3, n=14) were compared. The controls were water (experiments 1 and 3) and calorie-free sweetened water with gelatin (sweet gelatin, experiment 1) or calorie-free sweetened water (sweet control, experiment 2). Subjective average appetite was measured by visual analog scales over 1 h and ad libitum FI was measured 1 h after treatment consumption. Average appetite area under the curve was not different between solid and liquid forms of sugars, but was larger, indicating greater satiety for solid compared with liquid forms of gelatin and sweet, but not acid whey protein. The FI was not different from that of control because of solid or liquid sugars or gelatin treatments. However, both solid and liquid forms of whey protein, with no difference among them, suppressed FI compared with control (P<0.05). Macronutrient composition is more important than physical state of foods in determining subjective appetite and FI.

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.

Hollow-fiber liquid-phase microextraction coupled with miniature capillary electrophoresis for the trace analysis of four aliphatic aldehydes in water samples.

PubMed

Li, Ying; Yi, Fan; Zheng, Yiliang; Wang, Yu; Ye, Jiannong; Chu, Qingcui

2015-08-01

An environmentally friendly method for the trace analysis of four aliphatic aldehydes as water disinfection byproducts has been developed based on hollow-fiber liquid-phase microextraction followed by miniature capillary electrophoresis with amperometric detection. After derivatization with 2-thiobarbituric acid, four aliphatic aldehydes (formaldehyde, acetaldehyde, propylaldehyde, and butyraldehyde) became detectable by the amperometric detector. Under the optimum conditions, four aliphatic aldehydes can be well separated from the coexisting interferents as well as their homologs (pentanal, glyoxal, and methyl-glyoxal), and the limits of detection (S/N = 3) could reach sub-nanogram-per-milliliter level based on hollow-fiber liquid-phase microextraction. The proposed method has been applied for the analyses of above four aliphatic aldehydes in different water samples such as drinking water, tap water, and river water, and the average recoveries were in the range of 90-113%, providing an alternative to conventional and microchip capillary electrophoresis approaches. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

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

Method for extracting metals from aqueous waste streams for long term storage

DOEpatents

Chaiko, D.J.

1995-03-07

A liquid-liquid extraction method for removing metals and hydrous metal colloids from waste streams is provided wherein said waste streams are contacted with a solvent system containing a water-in-oil microemulsion wherein the inverted micelles contain the extracted metal. A silicon alkoxide, either alone or in combination with other metal alkoxide compounds is added to the water-in-oil microemulsion, thereby allowing encapsulation of the extracted metal within a silicon oxide network. Lastly, the now-encapsulated metal is precipitated from the water-in-oil microemulsion phase to yield aggregates of metal-silicate particles having average individual particle sizes of approximately 40 nanometers. 2 figs.

Method for extracting metals from aqueous waste streams for long term storage

DOEpatents

Chaiko, D.J.

1993-01-01

A liquid-liquid extraction method for removing metals and hydrous metal colloids from waste streams is provided wherein said waste streams are contacted with a solvent system containing a water-in-oil microemulsion wherein the inverted micelles contain the extracted metal. A silicon alkoxide, either alone or in combination with other metal alkoxide compounds is added to the water-in-oil microemulsion, thereby allowing encapsulation of the extracted metal within a silicon oxide network. Lastly, the now-encapsulated metal is precipitated from the water-in-oil microemulsion phase to yield aggregates of metal-silicate particles having average. individual particle sizes of approximately 40 manometers.

Method for extracting metals from aqueous waste streams for long term storage

DOEpatents

Chaiko, David J.

1995-01-01

A liquid--liquid extraction method for removing metals and hydrous metal colloids from waste streams is provided wherein said waste streams are contacted with a solvent system containing a water-in-oil microemulsion wherein the inverted micelles contain the extracted metal. A silicon alkoxide, either alone or in combination with other metal alkoxide compounds is added to the water-in-oil microemulsion, thereby allowing encapsulation of the extracted metal within a silicon oxide network. Lastly, the now-encapsulated metal is precipitated from the water-in-oil microemulsion phase to yield aggregates of metal-silicate particles having average individual particle sizes of approximately 40 nanometers.

Molecular dynamics averaging of Xe chemical shifts in liquids.

PubMed

Jameson, Cynthia J; Sears, Devin N; Murad, Sohail

2004-11-15

The Xe nuclear magnetic resonance chemical shift differences that afford the discrimination between various biological environments are of current interest for biosensor applications and medical diagnostic purposes. In many such environments the Xe signal appears close to that in water. We calculate average Xe chemical shifts (relative to the free Xe atom) in solution in eleven liquids: water, isobutane, perfluoro-isobutane, n-butane, n-pentane, neopentane, perfluoroneopentane, n-hexane, n-octane, n-perfluorooctane, and perfluorooctyl bromide. The latter is a liquid used for intravenous Xe delivery. We calculate quantum mechanically the Xe shielding response in Xe-molecule van der Waals complexes, from which calculations we develop Xe (atomic site) interpolating functions that reproduce the ab initio Xe shielding response in the complex. By assuming additivity, these Xe-site shielding functions can be used to calculate the shielding for any configuration of such molecules around Xe. The averaging over configurations is done via molecular dynamics (MD). The simulations were carried out using a MD technique that one of us had developed previously for the simulation of Henry's constants of gases dissolved in liquids. It is based on separating a gaseous compartment in the MD system from the solvent using a semipermeable membrane that is permeable only to the gas molecules. We reproduce the experimental trends in the Xe chemical shifts in n-alkanes with increasing number of carbons and the large chemical shift difference between Xe in water and in perfluorooctyl bromide. We also reproduce the trend for a given solvent of decreasing Xe chemical shift with increasing temperature. We predict chemical shift differences between Xe in alkanes vs their perfluoro counterparts.

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.

Individual behavior and pairwise interactions between microswimmers in anisotropic liquid

NASA Astrophysics Data System (ADS)

Sokolov, Andrey; Zhou, Shuang; Lavrentovich, Oleg D.; Aranson, Igor S.

2015-01-01

A motile bacterium swims by generating flow in its surrounding liquid. Anisotropy of the suspending liquid significantly modifies the swimming dynamics and corresponding flow signatures of an individual bacterium and impacts collective behavior. We study the interactions between swimming bacteria in an anisotropic environment exemplified by lyotropic chromonic liquid crystal. Our analysis reveals a significant localization of the bacteria-induced flow along a line coaxial with the bacterial body, which is due to strong viscosity anisotropy of the liquid crystal. Despite the fact that the average viscosity of the liquid crystal is two to three orders of magnitude higher than the viscosity of pure water, the speed of bacteria in the liquid crystal is of the same order of magnitude as in water. We show that bacteria can transport a cargo (a fluorescent particle) along a predetermined trajectory defined by the direction of molecular orientation of the liquid crystal. We demonstrate that while the hydrodynamic interaction between flagella of two close-by bacteria is negligible, the observed convergence of the swimming speeds as well as flagella waves' phase velocities may occur due to viscoelastic interaction between the bacterial bodies.

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.

Hydrogen bonds in concreto and in computro

NASA Astrophysics Data System (ADS)

Stouten, Pieter F. W.; Kroon, Jan

1988-07-01

Molecular dynamics simulations of liquid water and liquid methanol have been carried out. For both liquids an effective pair potential was used. The models were fitted to the heat of vaporization, pressure and various radial distribution functions resulting from diffraction experiments on liquids. In both simulations 216 molecules were put in a cubic periodical ☐. The system was loosely coupled to a temperature bath and to a pressure bath. Following an initial equilibration period relevant data were sampled during 15 ps. The distributions of oxygen—oxygen distances in hydrogen bonds obtained from the two simulations are essentially the same. The distribution obtained from crystal data is somewhat different: the maximum has about the same position, but the curve is much narrower, which can be expected merely from the fact that diffraction experiments only supply average atomic positions and hence average interatomic distances. When thermal motion is taken into account a closer likeness is observed.

A statistical examination of Nimbus 7 SMMR data and remote sensing of sea surface temperature, liquid water content in the atmosphere and surfaces wind speed

NASA Technical Reports Server (NTRS)

Prabhakara, C.; Wang, I.; Chang, A. T. C.; Gloersen, P.

1982-01-01

Nimbus 7 Scanning Multichannel Microwave Radiometer (SMMR) brightness temperature measurements over the global oceans have been examined with the help of statistical and empirical techniques. Such analyses show that zonal averages of brightness temperature measured by SMMR, over the oceans, on a large scale are primarily influenced by the water vapor in the atmosphere. Liquid water in the clouds and rain, which has a much smaller spatial and temporal scale, contributes substantially to the variability of the SMMR measurements within the latitudinal zones. The surface wind not only increases the surface emissivity but through its interactions with the atmosphere produces correlations, in the SMMR brightness temperature data, that have significant meteorological implications. It is found that a simple meteorological model can explain the general characteristics of the SMMR data. With the help of this model methods to infer over the global oceans, the surface temperature, liquid water content in the atmosphere, and surface wind speed are developed. Monthly mean estimates of the sea surface temperature and surface winds are compared with the ship measurements. Estimates of liquid water content in the atmosphere are consistent with earlier satellite measurements.

Influence of addition of degassed water on bulk nanobubbles.

PubMed

Tuziuti, Toru; Yasui, Kyuichi; Kanematsu, Wataru

2018-05-01

The effects of the addition of degassed water on bulk nanobubbles (ultrafine bubbles) of air in liquid water were investigated by measuring the volumetric concentration and size distribution at different dissolved air degree of saturation (DOS) values. The proportion of degassed water mixed with water containing bulk nanobubbles was increased to prepare samples having lower DOS values. It was found that the volumetric concentration of nanobubbles mostly decreased and the average nanobubble size became larger as the DOS was decreased. In our proposed mechanism, smaller nanobubbles are selectively dissolved into the surrounding liquid by Laplace pressure due to surface tension as the DOS is reduced. These results demonstrate that stable bulk nanobubbles are present even in water undersaturated with gas. The role of nanobubble under an ultrasound is also discussed. Copyright © 2018 Elsevier B.V. All rights reserved.

Multi-phase-fluid discrimination with local fibre-optical probes: I. Liquid/liquid flows

NASA Astrophysics Data System (ADS)

Fordham, E. J.; Holmes, A.; Ramos, R. T.; Simonian, S.; Huang, S.-M.; Lenn, C. P.

1999-12-01

We demonstrate the use of a novel design of fibre-optical sensor (or `local probe') for immiscible-fluid discrimination in multi-phase flows. These probes are made from standard silica fibres with plane oblique facets polished at the fibre tip, with various surface treatments, including a crucial one for wettability control. Total internal reflection is used to distinguish drops, bubbles or other regions of fluid in multi-phase flows, on the basis of refractive-index contrast. Such probes have quasi-binary outputs; we demonstrate in this paper their use in distinguishing water from oil (kerosene) in oil/water two-phase flows and compare the results with those obtained from a simple cleaved fibre relying on the (small) difference in Fresnel reflectivity for discrimination. Quantitative accuracy is demonstrated by comparison of profiles, across a pipe diameter, of local, time-averaged volume fractions (`hold-ups'), with pipe-averaged hold-ups determined from a carefully calibrated gradio-manometer in a fully developed region of the flow. Companion papers deal with the sensors used and results achieved in gas/liquid flows and three-phase flows.

Determination of malachite green and its leuco form in water

USGS Publications Warehouse

Allen, J.L.; Meinertz, J.R.; Gofus, J.E.

1992-01-01

Liquid chromatographic (lc) analysis can detect malachite green residues in water at less than 10 mu-g/l. Water samples were concentrated on disposable diol columns, eluted with 0.05m P-toluene-sulfonic acid in methanol, and determined by reversed-phase lc. When combined with a lead oxide postcolumn reactor, the lc method can simultaneously determine both leuco and chromatic forms of malachite green. Recoveries averaged 95.4% For the chromatic form and 57.3% For the leuco form of malachite green oxalate and leuco malachite green in spiked pond water samples. Recoveries of the carbinol form of malachite green (an equilibrium product of the dye in water) from spiked tap water samples averaged 98.6%. Recoveries of leuco malachite green were low and ph-dependent.

Sub-Microsecond Temperature Measurement in Liquid Water Using Laser Induced Thermal Acoustics

NASA Technical Reports Server (NTRS)

Alderfer, David W.; Herring, G. C.; Danehy, Paul M.; Mizukaki, Toshiharu; Takayama, Kazuyoshi

2005-01-01

Using laser-induced thermal acoustics, we demonstrate non-intrusive and remote sound speed and temperature measurements over the range 10 - 45 C in liquid water. Averaged accuracy of sound speed and temperature measurements (10 s) are 0.64 m/s and 0.45 C respectively. Single-shot precisions based on one standard deviation of 100 or greater samples range from 1 m/s to 16.5 m/s and 0.3 C to 9.5 C for sound speed and temperature measurements respectively. The time resolution of each single-shot measurement was 300 nsec.

Two-order-parameter description of liquid Al under five different pressures

NASA Astrophysics Data System (ADS)

Li, Y. D.; Hao, Qing-Hai; Cao, Qi-Long; Liu, C. S.

2008-11-01

In the present work, using the glue potential, the constant pressure molecular-dynamics simulations of liquid Al under five various pressures and a systematic analysis of the local atomic structures have been performed in order to test the two-order-parameter model proposed by Tanaka [Phys. Rev. Lett. 80, 5750 (1998)] originally for explaining the unusual behaviors of liquid water. The temperature dependence of the bond order parameter Q6 in liquid Al under five different pressures can be well fitted by the functional expression (Q6)/(1-Q6)=Q60exp((ΔE-PΔV)/(kBT)) which produces the energy gain ΔE and the volume change upon the formation of a locally favored structure: ΔE=0.025eV and ΔV=-0.27(Å)3 . ΔE is nearly equal to the difference between the average bond energy of the other type I bonds and the average bond energy of 1551 bonds (characterizing the icosahedronlike local structure); ΔV could be explained as the average volume occupied by one atom in icosahedra minus that occupied by one atom in other structures. With the obtained ΔE and ΔV , it is satisfactorily explained that the density of liquid Al displays a much weaker nonlinear dependence on temperature under lower pressures. So it is demonstrated that the behavior of liquid Al can be well described by the two-order-parameter model.

Development of a comprehensive screening method for more than 300 organic chemicals in water samples using a combination of solid-phase extraction and liquid chromatography-time-of-flight-mass spectrometry.

PubMed

Chau, Hong Thi Cam; Kadokami, Kiwao; Ifuku, Tomomi; Yoshida, Yusuke

2017-12-01

A comprehensive screening method for 311 organic compounds with a wide range of physicochemical properties (log Pow -2.2-8.53) in water samples was developed by combining solid-phase extraction with liquid chromatography-high-resolution time-of-flight mass spectrometry. Method optimization using 128 pesticides revealed that tandem extraction with styrene-divinylbenzene polymer and activated carbon solid-phase extraction cartridges at pH 7.0 was optimal. The developed screening method was able to extract 190 model compounds with average recovery of 80.8% and average relative standard deviations (RSD) of 13.5% from spiked reagent water at 0.20 μg L -1 , and 87.1% recovery and 10.8% RSD at 0.05 μg L -1 . Spike-recovery testing (0.20 μg L -1 ) using real sewage treatment plant effluents resulted in an average recovery and average RSD of 190 model compounds of 77.4 and 13.1%, respectively. The method was applied to the influent and effluent of five sewage treatment plants in Kitakyushu, Japan, with 29 out of 311 analytes being observed at least once. The results showed that this method can screen for a large number of chemicals with a wide range of physicochemical properties quickly and at low operational cost, something that is difficult to achieve using conventional analytical methods. This method will find utility in target screening of hazardous chemicals with a high risk in environmental waters, and for confirming the safety of water after environmental incidents.

40 CFR 63.9920 - What are my continuous monitoring requirements?

Code of Federal Regulations, 2012 CFR

2012-07-01

... scrubber subject to the operating limits for pressure drop and scrubber water flow rates in § 63.9890(b), you must at all times monitor the hourly average pressure drop and liquid flow rate using a CPMS...

40 CFR 63.9920 - What are my continuous monitoring requirements?

Code of Federal Regulations, 2013 CFR

2013-07-01

... scrubber subject to the operating limits for pressure drop and scrubber water flow rates in § 63.9890(b), you must at all times monitor the hourly average pressure drop and liquid flow rate using a CPMS...

40 CFR 63.9920 - What are my continuous monitoring requirements?

Code of Federal Regulations, 2010 CFR

2010-07-01

... scrubber subject to the operating limits for pressure drop and scrubber water flow rates in § 63.9890(b), you must at all times monitor the hourly average pressure drop and liquid flow rate using a CPMS...

Characterizing water-metal interfaces and machine learning potential energy surfaces

NASA Astrophysics Data System (ADS)

Ryczko, Kevin

In this thesis, we first discuss the fundamentals of ab initio electronic structure theory and density functional theory (DFT). We also discuss statistics related to computing thermodynamic averages of molecular dynamics (MD). We then use this theory to analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including platinum, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid watergraphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the platinum surface, but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water. Lastly, we introduce artificial neural networks (ANNs), and demonstrate how they can be used to machine learn electronic structure calculations. As a proof of principle, we show the success of an ANN potential energy surfaces for a dimer molecule with a Lennard-Jones potential.

Direct Contact Heat Exchange Interfacial Phenomena for Liquid Metal Reactors: Part II - Void Fraction

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

Abdulla, S.; Liu, X.; Anderson, M.H.

One concept being considered for steam generation in innovative nuclear reactor applications, involves water coming into direct contact with a circulating molten metal. The vigorous agitation of the two fluids, the direct liquid-liquid contact and the consequent large interfacial area can give rise to large heat transfer coefficients and rapid steam generation. For an optimum design of such direct contact heat exchange and vaporization systems, detailed knowledge is necessary of the various flow regimes, interfacial transport phenomena, heat transfer and operational stability. In order to investigate the interfacial transport phenomena, heat transfer and operational stability of direct liquid-liquid contact, amore » series of experiments are being performed in a 1-d test facility at Argonne National Laboratory and a 2-d experimental facility at UW-Madison. Each of the experimental facilities primarily consist of a liquid-metal melt chamber, heated test section (10 cm diameter tube for 1-d facility and 10 cm 50 cm rectangle for 2-d facility), water injection system and steam suppression tank. This paper is part II which, primarily addresses results and analysis of a set of preliminary experiments and void fraction measurements conducted in the 2-d facility at UW-Madison, part I deals with the heat transfer in the 1-d test facility at Argonne National Laboratory. A real-time high energy X-ray imaging system was developed and utilized to visualize the multiphase flow and measure line-average local void fractions, time-dependent void fraction distribution as well as estimates of the vapor bubble sizes and velocities. These measurements allowed us to determine the volumetric heat transfer coefficient and gain insight into the local heat transfer mechanisms. In this study, the images were captured at frame rates of 100 fps with spatial resolution of about 7 mm with a full-field view of a 15 cm square and five different positions along the test section height. The full-field average void fraction increases rapidly to about 15% in these preliminary tests, with the apparent boiling length of less than 20 cm. The volumetric heat transfer coefficient between the liquid metal and water are compared to the CRIEPI data, the only prior data for direct contact heat exchange for these liquid metal/water systems. (authors)« less

A second generation distributed point polarizable water model.

PubMed

Kumar, Revati; Wang, Fang-Fang; Jenness, Glen R; Jordan, Kenneth D

2010-01-07

A distributed point polarizable model (DPP2) for water, with explicit terms for charge penetration, induction, and charge transfer, is introduced. The DPP2 model accurately describes the interaction energies in small and large water clusters and also gives an average internal energy per molecule and radial distribution functions of liquid water in good agreement with experiment. A key to the success of the model is its accurate description of the individual terms in the n-body expansion of the interaction energies.

Dynamics of supercooled confined water measured by deep inelastic neutron scattering

NASA Astrophysics Data System (ADS)

De Michele, Vincenzo; Romanelli, Giovanni; Cupane, Antonio

2018-02-01

In this paper, we present the results of deep inelastic neutron scattering (DINS) measurements on supercooled water confined within the pores (average pore diameter 20 Å) of a disordered hydrophilic silica matrix obtained through hydrolysis and polycondensation of the alkoxide precursor Tetra-Methyl-Ortho-Silicate via the sol-gel method. Experiments were performed at two temperatures (250 K and 210 K, i.e., before and after the putative liquid-liquid transition of supercooled confined water) on a "wet" sample with hydration h 40% w/w, which is high enough to have water-filled pores but low enough to avoid water crystallization. A virtually "dry" sample at h 7% was also investigated to measure the contribution of the silica matrix to the neutron scattering signal. As is well known, DINS measurements allow the determination of the mean kinetic energy and the momentum distribution of the hydrogen atoms in the system and therefore, allow researchers to probe the local structure of supercooled confined water. The main result obtained is that at 210 K the hydrogen mean kinetic energy is equal or even slightly higher than at 250 K. This is at odds with the predictions of a semiempirical harmonic model recently proposed to describe the temperature dependence of the kinetic energy of hydrogen in water. This is a new and very interesting result, which suggests that at 210 K, the water hydrogens experience a stiffer intermolecular potential than at 250 K. This is in agreement with the liquid-liquid transition hypothesis.

Utilization of an ionic liquid in situ preconcentration method for the determination of the 15 + 1 European Union polycyclic aromatic hydrocarbons in drinking water and fruit-tea infusions.

PubMed

Germán-Hernández, Mónica; Crespo-Llabrés, Pilar; Pino, Verónica; Ayala, Juan H; Afonso, Ana M

2013-08-01

An ionic liquid (IL) in situ preconcentration method was optimized and applied to the monitoring of the 15 + 1 European Union polycyclic aromatic hydrocarbons in water and fruit-tea infusions. The optimized method utilizes 10 mL of water (or infusion) containing 38 μL of the IL 1-butyl-3-methylimidazolium chloride and a content of 36.1 g/L NaCl, which are mixed with Li-NTf2 (340 μL, 0.2 g/mL), followed by vortex (4 min) and centrifugation (5 min). The obtained microdroplet containing hydrocarbons is diluted with acetonitrile and injected into an HPLC with UV/Vis and fluorescence detection. The method presented average enrichment factors of 127 for water (tap water and bottled water) and 27 for two fruit-tea infusions; with average relative recoveries of 86.7 and 106% for water and fruit-tea infusions, respectively. The method was sensitive, with detection limits ranging from 0.001 to 0.050 ng/mL in water, and from 0.010 to 0.600 ng/mL in fruit-tea infusions, for the fluorescent hydrocarbons. Real extraction efficiencies ranged from 12.7 to 58.7% for water, and from 20.2 to 117% for the infusions. The method was also fast (~12 min) and free of organic solvents in the extraction step. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Observations of the Global Characteristics and Regional Radiative Effects of Marine Cloud Liquid Water

NASA Technical Reports Server (NTRS)

Greenwald, Thomas J.; Stephens, Graeme L.; Christopher, Sundar A.; Vonder Harr, Thomas H.

1995-01-01

The large-scale spatial distribution and temporal variability of cloud liquid water path (LWP) over the world's oceans and the relationship of cloud LWP to temperature and the radiation budget are investigated using recent satellite measurements from the Special Sensor Microwave/Imager (SSM/I), the Earth Radiation Budget Experiment (ERBE), and the International Satellite Cloud Climatology Project (ISCCP). Observations of cloud liquid water on a 2.5 deg x 2.5 deg and are used over a 53-month period beginning July 1987 and ending in December 1991. The highest values of cloud liquid water (greater than 0.13 kg/sq m) occur largely along principal routes of northern midlatitude storms and in areas dominated by tropical convection. The zonally averaged structure is distinctly trimodal, where maxima appear in the midlatitudes and near the equator. The average marine cloud LWP over the globe is estimated to be about 0.113 kg/sq m. Its highest seasonal variability is typically between 15% and 25% of the annual mean but in certain locations can exceed 30%. Comparisons of cloud LWP to temperature for low clouds during JJA and DJF of 1990 show significant positive correlations at colder temperatures and negative correlations at warmer temperatures. The correlations also exhibit strong seasonal and regional variation. Coincident and collocated observations of cloud LWP from the SSM/I and albedo measurements from the Earth Radiation Budget Satellite (ERBS) and the NOAA-10 satellite are compared for low clouds in the North Pacific and North Atlantic. The observed albedo-LWP relationships correspond reasonably well with theory, where the average cloud effective radius (r(sub e)) is 11.1 microns and the standard deviation is 5.2 microns. The large variability in the inferred values of r(sub e) suggests that other factors may be important in the albedo-LWP relationships. In terms of the effect of the LWP on the net cloud forcing, the authors find that a 0.05 kg/sq m increase in LWP (for LWP less than 0.2 kg/sq m) results in a -25 W/sq m change in the net cloud forcing at a solar zenith angle of 75 deg.

Vertical distribution of microphysical properties of Arctic springtime low-level mixed-phase clouds over the Greenland and Norwegian seas

NASA Astrophysics Data System (ADS)

Mioche, Guillaume; Jourdan, Olivier; Delanoë, Julien; Gourbeyre, Christophe; Febvre, Guy; Dupuy, Régis; Monier, Marie; Szczap, Frédéric; Schwarzenboeck, Alfons; Gayet, Jean-François

2017-10-01

This study aims to characterize the microphysical and optical properties of ice crystals and supercooled liquid droplets within low-level Arctic mixed-phase clouds (MPCs). We compiled and analyzed cloud in situ measurements from four airborne spring campaigns (representing 18 flights and 71 vertical profiles in MPCs) over the Greenland and Norwegian seas mainly in the vicinity of the Svalbard archipelago. Cloud phase discrimination and representative vertical profiles of the number, size, mass and shape of ice crystals and liquid droplets are established. The results show that the liquid phase dominates the upper part of the MPCs. High concentrations (120 cm-3 on average) of small droplets (mean values of 15 µm), with an averaged liquid water content (LWC) of 0.2 g m-3 are measured at cloud top. The ice phase dominates the microphysical properties in the lower part of the cloud and beneath it in the precipitation region (mean values of 100 µm, 3 L-1 and 0.025 g m-3 for diameter, particle concentration and ice water content (IWC), respectively). The analysis of the ice crystal morphology shows that the majority of ice particles are irregularly shaped or rimed particles; the prevailing regular habits found are stellars and plates. We hypothesize that riming and diffusional growth processes, including the Wegener-Bergeron-Findeisen (WBF) mechanism, are the main growth mechanisms involved in the observed MPCs. The impact of larger-scale meteorological conditions on the vertical profiles of MPC properties was also investigated. Large values of LWC and high concentration of smaller droplets are possibly linked to polluted situations and air mass origins from the south, which can lead to very low values of ice crystal size and IWC. On the contrary, clean situations with low temperatures exhibit larger values of ice crystal size and IWC. Several parameterizations relevant for remote sensing or modeling studies are also determined, such as IWC (and LWC) - extinction relationship, ice and liquid integrated water paths, ice concentration and liquid water fraction according to temperature.

Low-Dimensional Materials for Optoelectronic and Bioelectronic Applications

NASA Astrophysics Data System (ADS)

Hong, Tu

In this thesis, we first discuss the fundamentals of ab initio electronic structure theory and density functional theory (DFT). We also discuss statistics related to computing thermodynamic averages of molecular dynamics (MD). We then use this theory to analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including platinum, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid watergraphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the platinum surface, but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water. Lastly, we introduce artificial neural networks (ANNs), and demonstrate how they can be used to machine learn electronic structure calculations. As a proof of principle, we show the success of an ANN potential energy surfaces for a dimer molecule with a Lennard-Jones potential.

Meteorological Analysis of Icing Conditions Encountered in Low-Altitude Stratiform Clouds

NASA Technical Reports Server (NTRS)

Kline, D. B.; Walker, J. A.

1951-01-01

Liquid-water content, droplet size, and temperature data measured during 22 flights in predominatly stratiform clouds through the 1948-49 and the 1949-50 winters are presented. Several icing encounters were of greater severity than those previously measured over the same geographical area, but were within the limits of similar measurements obtained over different terrain within the United States. An analysis of meteorological conditions existing during the 74 flights conducted for four winters indicated an inverse relation of liquid-water concentration to maximum horizontal extent of icing clouds. Data on the vertical extent of supercooled clouds are also presented. Icing conditions were most likely to occur in the southwest and northwest quadrants of a cyclone area, and least likely to occur in the southeast and northeast quadrants where convergent air flow and lifting over the associated warm frontal surface usually cause precipitation. Additional data indicated that, icing conditions were usually encountered in nonprecipitating clouds existing at subfreezing temperatures and were unlikely over areas where most weather observing stations reported the existence of precipitation. Measurements of liquid-water content obtained during 12 flights near the time and location of radiosonde observations were compared with theoretical values. The average liquid-water content of a cloud layer, as measured by the multicylinder technique, seldom exceeded two-thirds of that which could be released by adiabatic lifting. Local areas near the cloud tops equaled or occasionally exceeded the calculated maximum quantity of liquid water.

Micro-explosion of compound drops

NASA Astrophysics Data System (ADS)

Chen, Chun-Kuei; Lin, Ta-Hui

2014-08-01

Introducing water into spray combustion systems, by either water-in-oil emulsification or supplementary water injection, is one of the major techniques for combustion improvement and NOx reduction. Plentiful researches are available on combustion of water-in-oil emulsion fuel drops. The emulsified liquid is a heterogeneous mixture of immiscible liquids. One component forms the continuous phase and the other component forms the discrete phase. The discrete phase consists of globules of the one fluid that are suspended in the continuous phase fluid. Water-in-oil emulsions are commonly considered for combustion applications because emulsions can result in micro-explosion, thereby reducing the average drop diameter to enhance liquid vaporization, and suppressing the formation of soot and NOx. However, the water addition generally does not exceed about 20% for smooth engine operations[!, 21. The combustion characteristics and micro-explosion of emulsion drop were studied by many researchers. The micro-explosion of water in fuel emulsion drops was caused by very fast growth of superheated water vapor bubbles, its superheat limits must be lower than the boiling point temperature of the fuel. These bubbles were primarily governed by the pressure difference between the superheated vapor and the liquid, and by the inertia imparted to the liquid by the motion of the bubble surface[3 6 In this study, we used a coaxial nozzle to generation the multi-component drop. The different type of water-in-oil fuel drops called the compound drops. Unlike an emulsion drop, a compound drop consists of a water core and a fuel shell, which can originate from the phase separation of emulsion[7, 81 or a water drop colliding with a fuel drop[9, 101 Burning and micro-explosion of compound drops have been found to be distinct from those of emulsion drops[9-111 Wang et al.[9 , 101 studied the combustion characteristics of collision merged alkane-water drops. The merged drops appeared in adhesive and inserted manners. The drop ignition delay time increased with increasing water content. The average burning rate of alkane-water drops decreased with increasing water content. In the burning process, hexadecane-water drops exhibited flash vaporization or flame extinction. Heterogeneous explosion was occasionally observed in drops with trapped air bubbles. The air bubbles were assumed to be the nucleation points of the heterogeneous explosions. Chen and Lin[11 studied the characteristics of water-in-dodecane compound drop with different water content, diameter of drop and environmental oxygen concentration. The vaporization rate increased with increasing environmental oxygen concentration. The compound drops micro-exploded during the burning process in a random way. The number of micro-explosions was majorly influenced by drop diameter, followed by environmental oxygen concentration. Water content had a weaker effect on micro-explosion. As available literature and research results of compound drop burning are scarce, their combustion and micro-explosion behaviors are still poorly understood. In this regard, we changed the drop nature as compound drops to study their combustion characteristics and micro-explosion phenomena.

33 CFR 158.220 - Ports and terminals loading more than 1,000 metric tons of oil other than crude oil or bunker oil.

Code of Federal Regulations, 2011 CFR

2011-07-01

... processing in the amount of 10 metric tons (11 short tons); (b) Bilge water containing oily mixtures in the... average, whichever quantity is greater; (c) Ballast water containing oily mixtures in the amount of 30% of... FACILITIES FOR OIL, NOXIOUS LIQUID SUBSTANCES, AND GARBAGE Criteria for Reception Facilities: Oily Mixtures...

33 CFR 158.220 - Ports and terminals loading more than 1,000 metric tons of oil other than crude oil or bunker oil.

Code of Federal Regulations, 2012 CFR

2012-07-01

... processing in the amount of 10 metric tons (11 short tons); (b) Bilge water containing oily mixtures in the... average, whichever quantity is greater; (c) Ballast water containing oily mixtures in the amount of 30% of... FACILITIES FOR OIL, NOXIOUS LIQUID SUBSTANCES, AND GARBAGE Criteria for Reception Facilities: Oily Mixtures...

33 CFR 158.220 - Ports and terminals loading more than 1,000 metric tons of oil other than crude oil or bunker oil.

Code of Federal Regulations, 2014 CFR

2014-07-01

... processing in the amount of 10 metric tons (11 short tons); (b) Bilge water containing oily mixtures in the... average, whichever quantity is greater; (c) Ballast water containing oily mixtures in the amount of 30% of... FACILITIES FOR OIL, NOXIOUS LIQUID SUBSTANCES, AND GARBAGE Criteria for Reception Facilities: Oily Mixtures...

33 CFR 158.220 - Ports and terminals loading more than 1,000 metric tons of oil other than crude oil or bunker oil.

Code of Federal Regulations, 2010 CFR

2010-07-01

... processing in the amount of 10 metric tons (11 short tons); (b) Bilge water containing oily mixtures in the... average, whichever quantity is greater; (c) Ballast water containing oily mixtures in the amount of 30% of... FACILITIES FOR OIL, NOXIOUS LIQUID SUBSTANCES, AND GARBAGE Criteria for Reception Facilities: Oily Mixtures...

33 CFR 158.220 - Ports and terminals loading more than 1,000 metric tons of oil other than crude oil or bunker oil.

Code of Federal Regulations, 2013 CFR

2013-07-01

... processing in the amount of 10 metric tons (11 short tons); (b) Bilge water containing oily mixtures in the... average, whichever quantity is greater; (c) Ballast water containing oily mixtures in the amount of 30% of... FACILITIES FOR OIL, NOXIOUS LIQUID SUBSTANCES, AND GARBAGE Criteria for Reception Facilities: Oily Mixtures...

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.

Prospect of life on cold planets with low atmospheric pressures

NASA Astrophysics Data System (ADS)

Pavlov, A. A.; Vdovina, M.

2009-12-01

Stable liquid water on the surface of a planet has been viewed as the major requirement for a habitable planet. Such approach would exclude planets with low atmospheric pressures and cold mean surface temperatures (like present Mars) as potential candidates for extraterrestrial life search. Here we explore 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 average surface temperatures (~-30 C). During brief periods of simulated daylight warming the shallow subsurface ice sublimates, the water vapor can diffuse through the porous surface layer of soil temporarily producing supersaturated conditions in the soil, which lead to the formation of liquid films. We show that non-extremophile terrestrial microorganisms (Vibrio sp.) can grow and reproduce under such conditions. The necessary conditions for metabolism and reproduction are the sublimation of ground ice through a thin layer of soil and short episodes of warm temperatures at the planetary surface.

Computational IR spectroscopy of water: OH stretch frequencies, transition dipoles, and intermolecular vibrational coupling constants

NASA Astrophysics Data System (ADS)

Choi, Jun-Ho; Cho, Minhaeng

2013-05-01

The Hessian matrix reconstruction method initially developed to extract the basis mode frequencies, vibrational coupling constants, and transition dipoles of the delocalized amide I, II, and III vibrations of polypeptides and proteins from quantum chemistry calculation results is used to obtain those properties of delocalized O-H stretch modes in liquid water. Considering the water symmetric and asymmetric O-H stretch modes as basis modes, we here develop theoretical models relating vibrational frequencies, transition dipoles, and coupling constants of basis modes to local water configuration and solvent electric potential. Molecular dynamics simulation was performed to generate an ensemble of water configurations that was in turn used to construct vibrational Hamiltonian matrices. Obtaining the eigenvalues and eigenvectors of the matrices and using the time-averaging approximation method, which was developed by the Skinner group, to calculating the vibrational spectra of coupled oscillator systems, we could numerically simulate the O-H stretch IR spectrum of liquid water. The asymmetric line shape and weak shoulder bands were quantitatively reproduced by the present computational procedure based on vibrational exciton model, where the polarization effects on basis mode transition dipoles and inter-mode coupling constants were found to be crucial in quantitatively simulating the vibrational spectra of hydrogen-bond networking liquid water.

Accelerated solvent extraction combined with dispersive liquid-liquid microextraction before gas chromatography with mass spectrometry for the sensitive determination of phenols in soil samples.

PubMed

Xing, Han-Zhu; Wang, Xia; Chen, Xiang-Feng; Wang, Ming-Lin; Zhao, Ru-Song

2015-05-01

A method combining accelerated solvent extraction with dispersive liquid-liquid microextraction was developed for the first time as a sample pretreatment for the rapid analysis of phenols (including phenol, m-cresol, 2,4-dichlorophenol, and 2,4,6-trichlorophenol) in soil samples. In the accelerated solvent extraction procedure, water was used as an extraction solvent, and phenols were extracted from soil samples into water. The dispersive liquid-liquid microextraction technique was then performed on the obtained aqueous solution. Important accelerated solvent extraction and dispersive liquid-liquid microextraction parameters were investigated and optimized. Under optimized conditions, the new method provided wide linearity (6.1-3080 ng/g), low limits of detection (0.06-1.83 ng/g), and excellent reproducibility (<10%) for phenols. Four real soil samples were analyzed by the proposed method to assess its applicability. Experimental results showed that the soil samples were free of our target compounds, and average recoveries were in the range of 87.9-110%. These findings indicate that accelerated solvent extraction with dispersive liquid-liquid microextraction as a sample pretreatment procedure coupled with gas chromatography and mass spectrometry is an excellent method for the rapid analysis of trace levels of phenols in environmental soil samples. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enhanced mobility of non aqueous phase liquid (NAPL) during drying of wet sand

NASA Astrophysics Data System (ADS)

Govindarajan, Dhivakar; Deshpande, Abhijit P.; Raghunathan, Ravikrishna

2018-02-01

Enhanced upward mobility of a non aqueous phase liquid (NAPL) present in wet sand during natural drying, and in the absence of any external pressure gradients, is reported for the first time. This mobility was significantly higher than that expected from capillary rise. Experiments were performed in a glass column with a small layer of NAPL-saturated sand trapped between two layers of water-saturated sand. Drying of the wet sand was induced by flow of air across the top surface of the wet sand. The upward movement of the NAPL, in the direction of water transport, commenced when the drying effect reached the location of the NAPL and continued as long as there was significant water evaporation in the vicinity of NAPL, indicating a clear correlation between the NAPL rise and water evaporation. The magnitude and the rate of NAPL rise was measured at different water evaporation rates, different initial locations of the NAPL, different grain size of the sand and the type of NAPL (on the basis of different NAPL-glass contact angle, viscosity and density). A positive correlation was observed between average rate of NAPL rise and the water evaporation while a negative correlation was obtained between the average NAPL rise rate and the NAPL properties of contact angle, viscosity and density. There was no significant correlation of average NAPL rise rate with variation of sand grain size between 0.1 to 0.5 mm. Based on these observations and on previous studies reported in the literature, two possible mechanisms are hypothesized -a) the effect of the spreading coefficient resulting in the wetting of NAPL on the water films created and b) a moving water film due to evaporation that "drags" the NAPL upwards. The NAPL rise reported in this paper has implications in fate and transport of chemicals in NAPL contaminated porous media such as soils and exposed dredged sediment material, which are subjected to varying water saturation levels due to drying and rewetting.

Controlled boiling on Enceladus. 2. Model of the liquid-filled cracks

NASA Astrophysics Data System (ADS)

Ingersoll, Andrew P.; Nakajima, Miki

2016-07-01

Controlled boiling will occur on Enceladus whenever a long, narrow conduit connects liquid water to the vacuum of space. In a companion paper we focus on the upward flow of the vapor and show how it controls the evaporation rate through backpressure, which arises from friction on the walls. In this paper we focus on the liquid and show how it flows through the conduit up to its level of neutral buoyancy. For an ice shell 20 km thick, the liquid water interface could be 2 km below the surface. We find that the evaporating surface can be narrow. There is no need for a large vapor chamber that acts as a plume source. Freezing on the icy walls and the evaporating surface is avoided if the crack width averaged over the length of the tiger stripes is greater than 1 m and the salinity of the liquid is greater than 20 g kg-1. Controlled boiling plays a crucial role in our model, which makes it different from earlier published models. The liquids on Enceladus are boiling because there is no overburden pressure-the saturation vapor pressure is equal to the total pressure. Salinity plays a crucial role in preventing freezing, and we argue that the subsurface oceans of icy satellites can have water vapor plumes only if their salinities are greater than about 20 g kg-1.

Liquid carry-over in an injection moulded all-polymer chip system for immiscible phase magnetic bead-based solid-phase extraction

NASA Astrophysics Data System (ADS)

Kistrup, Kasper; Skotte Sørensen, Karen; Wolff, Anders; Fougt Hansen, Mikkel

2015-04-01

We present an all-polymer, single-use microfluidic chip system produced by injection moulding and bonded by ultrasonic welding. Both techniques are compatible with low-cost industrial mass-production. The chip is produced for magnetic bead-based solid-phase extraction facilitated by immiscible phase filtration and features passive liquid filling and magnetic bead manipulation using an external magnet. In this work, we determine the system compatibility with various surfactants. Moreover, we quantify the volume of liquid co-transported with magnetic bead clusters from Milli-Q water or a lysis-binding buffer for nucleic acid extraction (0.1 (v/v)% Triton X-100 in 5 M guanidine hydrochloride). A linear relationship was found between the liquid carry-over and mass of magnetic beads used. Interestingly, similar average carry-overs of 1.74(8) nL/μg and 1.72(14) nL/μg were found for Milli-Q water and lysis-binding buffer, respectively.

A two-dimensional model of water: Theory and computer simulations

NASA Astrophysics Data System (ADS)

Urbič, T.; Vlachy, V.; Kalyuzhnyi, Yu. V.; Southall, N. T.; Dill, K. A.

2000-02-01

We develop an analytical theory for a simple model of liquid water. We apply Wertheim's thermodynamic perturbation theory (TPT) and integral equation theory (IET) for associative liquids to the MB model, which is among the simplest models of water. Water molecules are modeled as 2-dimensional Lennard-Jones disks with three hydrogen bonding arms arranged symmetrically, resembling the Mercedes-Benz (MB) logo. The MB model qualitatively predicts both the anomalous properties of pure water and the anomalous solvation thermodynamics of nonpolar molecules. IET is based on the orientationally averaged version of the Ornstein-Zernike equation. This is one of the main approximations in the present work. IET correctly predicts the pair correlation function of the model water at high temperatures. Both TPT and IET are in semi-quantitative agreement with the Monte Carlo values of the molar volume, isothermal compressibility, thermal expansion coefficient, and heat capacity. A major advantage of these theories is that they require orders of magnitude less computer time than the Monte Carlo simulations.

Salting-out assisted liquid-liquid extraction for the determination of biogenic amines in fruit juices and alcoholic beverages after derivatization with 1-naphthylisothiocyanate and high performance liquid chromatography.

PubMed

Jain, Archana; Gupta, Manju; Verma, Krishna K

2015-11-27

A new method for determining biogenic amines in fruit juices and alcoholic beverages is described involving reaction of biogenic amines with 1-naphthylisothiocyanate followed by extraction of 1-naphthylthiourea derivatives with water-miscible organic solvent acetonitrile when solvents phase separation occurred using ammonium sulphate, a process called salting-out assisted liquid-liquid extraction. The extract was analyzed by high-performance liquid chromatography with UV detection at 254nm. The new reagent avoided many of the inconveniences as observed with existing derivatizing agents, such as dansyl chloride and benzoyl chloride, in regard to their inselectivity, instability, adverse effect of excess reagent, and necessity to remove excess reagent. The procedure has been optimized with respect to reaction time and temperature, water-miscible extraction solvent, and salt for solvents phase separation. Use of reagent as dispersed phase in aqueous medium produced derivatives in high yield. A linear calibration was obtained between the amount of biogenic amines in range 1-1000μgL(-1) and peak areas of corresponding thioureas formed; the correlation coefficient was 0.9965, and the limit of detection and limit of quantification found were 1.1μgL(-1) and 3.2μgL(-1), respectively. The pre-concentration method gave an average enrichment factor of 94. The application of the method has been demonstrated in the determination of biogenic amines in commercial samples of fruit juices and alcoholic beverages. In spiking experiments to real samples, the average recovery found by the present method was 94.5% that agreed well with 95.8% obtained by established comparison methods. Copyright © 2015 Elsevier B.V. All rights reserved.

QSPR analysis of the partitioning of vaporous chemicals in a water-gas phase system and the water solubility of liquid and solid chemicals on the basis of fragment and physicochemical similarity and hybot descriptors.

PubMed

Raevsky, O; Andreeva, E; Raevskaja, O; Skvortsov, V; Schaper, K

2005-01-01

QSPR analyses of the solubility in water of 558 vapors, 786 liquids and 2045 solid organic neutral chemicals and drugs are presented. Simultaneous consideration of H-bond acceptor and donor factors leads to a good description of the solubility of vapors and liquids. A volume-related term was found to have an essential negative contribution to the solubility of liquids. Consideration of polarizability, H-bond acceptor and donor factors and indicators for a few functional groups, as well as the experimental solubility values of structurally nearest neighbors yielded good correlations for liquids. The application of Yalkowsky's "General Solubility Equation" to 1063 solid chemicals and drugs resulted in a correlation of experimental vs calculated log S values with only modest statistical criteria. Two approaches to derive predictive models for solubility of solid chemicals and drugs were tested. The first approach was based on the QSPR for liquids together with indicator variables for different functional groups. Furthermore, a calculation of enthalpies for intermolecular complexes in crystal lattices, based on new H-bond potentials, was carried out for the better consideration of essential solubility- decreasing effects in the solid state, as compared with the liquid state. The second approach was based on a combination of similarity considerations and traditional QSPR. Both approaches lead to high quality predictions with average absolute errors on the level of experimental log S determination.

The wire-mesh sensor as a two-phase flow meter

NASA Astrophysics Data System (ADS)

Shaban, H.; Tavoularis, S.

2015-01-01

A novel gas and liquid flow rate measurement method is proposed for use in vertical upward and downward gas-liquid pipe flows. This method is based on the analysis of the time history of area-averaged void fraction that is measured using a conductivity wire-mesh sensor (WMS). WMS measurements were collected in vertical upward and downward air-water flows in a pipe with an internal diameter of 32.5 mm at nearly atmospheric pressure. The relative frequencies and the power spectral density of area-averaged void fraction were calculated and used as representative properties. Independent features, extracted from these properties using Principal Component Analysis and Independent Component Analysis, were used as inputs to artificial neural networks, which were trained to give the gas and liquid flow rates as outputs. The present method was shown to be accurate for all four encountered flow regimes and for a wide range of flow conditions. Besides providing accurate predictions for steady flows, the method was also tested successfully in three flows with transient liquid flow rates. The method was augmented by the use of the cross-correlation function of area-averaged void fraction determined from the output of a dual WMS unit as an additional representative property, which was found to improve the accuracy of flow rate prediction.

Radiological effluents released and public doses from nuclear power plants in Korea.

PubMed

Son, Jung Kwon; Kim, Hee Geun; Kong, Tae Young; Ko, Jong Hyun; Lee, Goung Jin

2013-08-01

As of the end of 2010, there were 20 commercially operating nuclear reactors in Korea. Releases of radioactive effluents from nuclear power plants (NPPs) have increased continuously; the total radioactivity of effluent amount released in 2010 was 547.12 TBq. From 2001 to 2010, the annual average radioactivity of gaseous and liquid effluents per reactor was 11.61 TBq for pressurised water reactors and 118.12 TBq for pressurised heavy water reactors. Most of the radioactivity from gaseous and liquid effluents came from tritium. Based on the results of release trends and analyses, the characteristics of effluents have been investigated to improve the management of radioactive effluents from NPPs.

Ground-water contamination by crude oil: Section B in U.S. Geological Survey Toxic Substances Hydrology Program: Proceedings of the technical meeting, Charleston, South Carolina, March 8-12, 1999: Volume 3 (Part C)

USGS Publications Warehouse

Delin, G.N.; Herkelrath, W.N.; Morganwalp, David W.; Buxton, Herbert T.

1999-01-01

Ground water contamination by crude oil, and other petroleum-based liquids, is a widespread problem. An average of 83 crude-oil spills occurred per year during 1994-96 in the United States, each spilling an average of about 50,000 barrels of crude oil (U.S. Office of Pipeline Safety, electronic commun., 1997). An understanding of the fate of organic contaminants (such as oil and gasoline) in the subsurface is needed to design innovative and cost-effective remedial solutions at contaminated sites.

The effects of increasing amounts of milk replacer powder added to whole milk on feed intake and performance in dairy heifers.

PubMed

Azevedo, R A; Machado, F S; Campos, M M; Furini, P M; Rufino, S R A; Pereira, L G R; Tomich, T R; Coelho, S G

2016-10-01

The aim of this study was to evaluate the effects on feed intake, heifer performance, and health of increasing the total solids (TS) content of liquid feed (whole milk) by adding increasing amounts of milk replacer powder during the pre- and postweaning periods. Crossbred Holstein-Gyr heifers (n=60) were assigned to 1 of 4 treatments (n=15 per group), which consisted of different TS concentrations: 12.5, 15.0, 17.5, and 20.0% of liquid feed. Heifers received 6 L of liquid feed per day, divided into 2 equal meals (0800 and 1600h) and provided in buckets, from 5 to 55d of age. From 56 to 59d of age, the total amount of liquid feed was reduced by half, maintaining only morning feedings. Heifers were weaned at 60d and monitored until 90d of age. Water and starter were provided ad libitum during the entire experiment. Corn silage was included in the diet during the postweaning period (70d of age). Feed intake and health scores were evaluated daily. Body weight and body frame development were recorded weekly. Starting at 14d, ruminal pH was measured every other week. Laboratory analysis determined that the actual TS contents of the liquid feed were 13.5, 16.1, 18.2, and 20.4%, for the proposed 12.5, 15.0, 17.5, and 20.0% TS treatments, respectively. The osmolality of liquid feed treatments was 265 to 533mOsm/L. Intake of liquid feed was similar among treatments from 4wk of age. During the preweaning period, starter intake, fecal score, and days with diarrhea were similar among treatments. Ruminal pH at weaning averaged 6.2 and was similar among treatments. Increasing concentrations of TS in the liquid feed were associated with linear increases in average daily gain, final body weight, and growth performance, but linear decreases in feed efficiency. During the postweaning period, intake of starter, corn silage, and water were similar among treatments, as well as average daily gain and feed efficiency. Final body weight and growth performance during the postweaning period also increased linearly with concentration of TS in liquid feed. Increasing the concentration of TS in liquid feed up to 20.4% increased performance and body frame development in dairy heifers during the pre- and postweaning periods and had no effects on solid feed intake or health. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

A Quasi-Elastic Neutron Scattering Study of the Dynamics of Electrically Constrained Water.

PubMed

Fuchs, Elmar C; Bitschnau, Brigitte; Wexler, Adam D; Woisetschläger, Jakob; Freund, Friedemann T

2015-12-31

We have measured the quasi-elastic neutron scattering (QENS) of an electrohydrodynamic liquid bridge formed between two beakers of pure water when a high voltage is applied, a setup allowing to investigate water under high-voltage without high currents. From this experiment two proton populations were distinguished: one consisting of protons strongly bound to oxygen atoms (immobile population, elastic component) and a second one of quasi-free protons (mobile population, inelastic component) both detected by QENS. The diffusion coefficient of the quasi-free protons was found to be D = (26 ± 10) × 10(-5) cm(2) s(-1) with a jump length lav ∼ 3 Å and an average residence time of τ0 = 0.55 ± 0.08 ps. The associated proton mobility in the proton channel of the bridge is ∼9.34 × 10(-7) m(2) V(-1) s(-1), twice as fast as diffusion-based proton mobility in bulk water. It also matches the so-called electrohydrodynamic or "apparent" charge mobility, an experimental quantity which so far has lacked molecular interpretation. These results further corroborate the proton channel model for liquid water under high voltage and give new insights into the molecular mechanisms behind electrohydrodynamic charge transport phenomena and delocalization of protons in liquid water.

Fabrication of Supramolecular Chirality from Achiral Molecules at the Liquid/Liquid Interface Studied by Second Harmonic Generation.

PubMed

Lin, Lu; Zhang, Zhen; Guo, Yuan; Liu, Minghua

2018-01-09

We present the investigation into the supramolecular chirality of 5-octadecyloxy-2-(2-pyridylazo)phenol (PARC18) at water/1,2-dichloroethane interface by second harmonic generation (SHG). We observe that PARC18 molecules form supramolecular chirality through self-assembly at the liquid/liquid interface although they are achiral molecules. The bulk concentration of PARC18 in the organic phase has profound effects on the supramolecular chirality. By increasing bulk concentration, the enantiomeric excess at the interface first grows and then decreases until it eventually vanishes. Further analysis reveals that the enantiomeric excess is determined by the twist angle of PARC18 molecules at the interface rather than their orientational angle. At lower and higher bulk concentrations, the average twist angle of PARC18 molecules approaches zero, and the assemblies are achiral; whereas at medium bulk concentrations, the average twist angle is nonzero, so that the assemblies show supramolecular chirality. We also estimate the coverage of PARC18 molecules at the interface versus the bulk concentration and fit it to Langmuir adsorption model. The result indicates that PARC18 assemblies show strongest supramolecular chirality in a half-full monolayer. These findings highlight the opportunities for precise control of supramolecular chirality at liquid/liquid interfaces by manipulating the bulk concentration.

Derivation of Hamaker Dispersion Energy of Amorphous Carbon Surfaces in Contact with Liquids Using Photoelectron Energy-Loss Spectra

NASA Astrophysics Data System (ADS)

Godet, Christian; David, Denis

2017-12-01

Hamaker interaction energies and cutoff distances have been calculated for disordered carbon films, in contact with purely dispersive (diiodomethane) or polar (water) liquids, using their experimental dielectric functions ɛ ( q, ω) obtained over a broad energy range. In contrast with previous works, a q-averaged < ɛ ( q, ω) > q is derived from photoelectron energy-loss spectroscopy (XPS-PEELS) where the energy loss function (ELF) < Im[-1/ ɛ ( q, ω)] > q is a weighted average over allowed transferred wave vector values, q, given by the physics of bulk plasmon excitation. For microcrystalline diamond and amorphous carbon films with a wide range of (sp3/sp2 + sp3) hybridization, non-retarded Hamaker energies, A 132 ( L < 1 nm), were calculated in several configurations, and distance and wavenumber cutoff values were then calculated based on A 132 and the dispersive work of adhesion obtained from contact angles. A geometric average approximation, H 0 CVL = ( H 0 CVC H 0 LVL )1/2, holds for the cutoff separation distances obtained for carbon-vacuum-liquid (CVL), carbon-vacuum-carbon (CVC) and liquid-vacuum-liquid (LVL) equilibrium configurations. The linear dependence found for A CVL, A CLC and A CLV values as a function of A CVC, for each liquid, allows predictive relationships for Hamaker energies (in any configuration) using experimental determination of the dispersive component of the surface tension, {γ}_{CV}^d , and a guess value of the cutoff distance H 0 CVC of the solid. [Figure not available: see fulltext.

Nonintrusive dynamic flowmeter

NASA Technical Reports Server (NTRS)

Pedersen, N. E.; Lynnworth, L. C.

1973-01-01

Description of some of the design and performance characteristics of an ultrasonic dynamic flowmeter which combines nonintrusiveness, fast response, high accuracy, and high resolution and is intended for use with cryogenic liquids and water. The flowmeter measures to 1% accuracy the dynamic as well as the steady flow velocity averaged over the pipe area.

Average rainwater pH, concepts of atmospheric acidity, and buffering in open systems

NASA Astrophysics Data System (ADS)

Liljestrand, Howard M.

The system of water equilibrated with a constant partial pressure of CO 2, as a reference point for pH acidity-alkalinity relationships, has nonvolatile acidity and alkalinity components as conservative quantities, but not [H +]. Simple algorithms are presented for the determination of the average pH for combinations of samples both above and below pH 5.6. Averaging the nonconservative quantity [H +] yields erroneously low mean pH values. To extend the open CO 2 system to include other volatile atmospheric acids and bases distributed among the gas, liquid and particulate matter phases, a theoretical framework for atmospheric acidity is presented. Within certain oxidation-reduction limitations, the total atmospheric acidity (but not free acidity) is a conservative quantity. The concept of atmospheric acidity is applied to air-water systems approximating aerosols, fogwater, cloudwater and rainwater. The buffer intensity in hydrometeors is described as a function of net strong acidity, partial pressures of acid and base gases and the water to air ratio. For high liquid to air volume ratios, the equilibrium partial pressures of trace acid and base gases are set by the pH or net acidity controlled by the nonvolatile acid and base concentrations. For low water to air volume ratios as well as stationary state systems such as precipitation scavenging with continuous emissions, the partial pressures of trace gases (NH 3, HCl, HNO 3, SO 2 and CH 3COOH) appear to be of greater or equal importance as carbonate species as buffers in the aqueous phase.

Orientation-dependent integral equation theory for a two-dimensional model of water

NASA Astrophysics Data System (ADS)

Urbič, T.; Vlachy, V.; Kalyuzhnyi, Yu. V.; Dill, K. A.

2003-03-01

We develop an integral equation theory that applies to strongly associating orientation-dependent liquids, such as water. In an earlier treatment, we developed a Wertheim integral equation theory (IET) that we tested against NPT Monte Carlo simulations of the two-dimensional Mercedes Benz model of water. The main approximation in the earlier calculation was an orientational averaging in the multidensity Ornstein-Zernike equation. Here we improve the theory by explicit introduction of an orientation dependence in the IET, based upon expanding the two-particle angular correlation function in orthogonal basis functions. We find that the new orientation-dependent IET (ODIET) yields a considerable improvement of the predicted structure of water, when compared to the Monte Carlo simulations. In particular, ODIET predicts more long-range order than the original IET, with hexagonal symmetry, as expected for the hydrogen bonded ice in this model. The new theoretical approximation still errs in some subtle properties; for example, it does not predict liquid water's density maximum with temperature or the negative thermal expansion coefficient.

Real Space Imaging of Nanoparticle Assembly at Liquid-Liquid Interfaces with Nanoscale Resolution.

PubMed

Costa, Luca; Li-Destri, Giovanni; Thomson, Neil H; Konovalov, Oleg; Pontoni, Diego

2016-09-14

Bottom up self-assembly of functional materials at liquid-liquid interfaces has recently emerged as method to design and produce novel two-dimensional (2D) nanostructured membranes and devices with tailored properties. Liquid-liquid interfaces can be seen as a "factory floor" for nanoparticle (NP) self-assembly, because NPs are driven there by a reduction of interfacial energy. Such 2D assembly can be characterized by reciprocal space techniques, namely X-ray and neutron scattering or reflectivity. These techniques have drawbacks, however, as the structural information is averaged over the finite size of the radiation beam and nonperiodic isolated assemblies in 3D or defects may not be easily detected. Real-space in situ imaging methods are more appropriate in this context, but they often suffer from limited resolution and underperform or fail when applied to challenging liquid-liquid interfaces. Here, we study the surfactant-induced assembly of SiO2 nanoparticle monolayers at a water-oil interface using in situ atomic force microscopy (AFM) achieving nanoscale resolved imaging capabilities. Hitherto, AFM imaging has been restricted to solid-liquid interfaces because applications to liquid interfaces have been hindered by their softness and intrinsic dynamics, requiring accurate sample preparation methods and nonconventional AFM operational schemes. Comparing both AFM and grazing incidence X-ray small angle scattering data, we unambiguously demonstrate correlation between real and reciprocal space structure determination showing that the average interfacial NP density is found to vary with surfactant concentration. Additionally, the interaction between the tip and the interface can be exploited to locally determine the acting interfacial interactions. This work opens up the way to studying complex nanostructure formation and phase behavior in a range of liquid-liquid and complex liquid interfaces.

Methods of analysis by the U.S. Geological Survey National Water Quality Laboratory; extraction of nitroaromatic compounds from water by polystyrene divinylbenzene cartridge and determination by high-performance liquid chromatography

USGS Publications Warehouse

Lindley, C.E.; Burkhardt, M.R.; DeRusseau, S.N.

1994-01-01

Organic explosives are determined in samples of ground water and surface water with emphasis on identifying and quantifying trinitrotoluene (TNT) metabolites. Water samples are filtered to remove suspended particulate material and passed through a polystyrene divinylbenzene-packed cartridge by a vacuum-extraction system. The target analytes subsequently are eluted with acetonitrile. A high-performance liquid chromatograph (HPLC) equipped with a photodiode-array detector is used for sample analysis. Analytes are separated on an octadecylsilane column using a methanol, water, and acetonitrile gradient elution. The compounds 2,4- and 2,6-dinitrotoluene are separated through an independent, isocratic elution. Method detection limits, on the basis of a 1-liter sample size, range from 0.11 to 0.32 microgram per liter. Recoveries averaged from 71 to 101 percent for 13 analytes in one set of HPLC-grade water fortified at about 1 microgram per liter. The method is limited to use by analysts experienced in handling explosive materials. (USGS)

The effects of increasing amounts of milk replacer powder added to whole milk on passage rate, nutrient digestibility, ruminal development, and body composition in dairy calves.

PubMed

Azevedo, R A; Machado, F S; Campos, M M; Lopes, D R G; Costa, S F; Mantovani, H C; Lopes, F C F; Marcondes, M I; Pereira, L G R; Tomich, T R; Coelho, S G

2016-11-01

The aim of this study was to evaluate the effects on feed intake, calf performance, feed efficiency, fecal score, passage rate, apparent nutrient digestibility, development of rumen and other organs, and body composition of increasing the total solids content of liquid feed (whole milk) by adding increasing amounts of milk replacer powder during the preweaning period. Crossbred Holstein-Gyr calves (n=32) were assigned to 1 of 4 treatments (n=8 per group), which consisted of different total solids concentrations: 12.5, 15.0, 17.5, and 20.0% of liquid feed. Calves received 6 L of liquid per day, divided into 2 equal meals (0800 and 1600 h) and provided in buckets, from 5 to 55d of age. Starter and water were provided ad libitum during the entire experiment. At 56d of age, animals were killed. Laboratory analysis determined that the actual total solids contents of the liquid feed were 13.5, 16.1, 18.2, and 20.4%, for the proposed 12.5, 15.0, 17.5, and 20.0% total solids treatments, respectively. The osmolality of liquid feed treatments was 265 to 533 mOsm/L. Fecal score was similar among treatments, except for wk 2 and 7. Intake of liquid feed was similar among treatments from 6wk of age. During wk 4, 5, and 6, we detected a linear decrease in starter intake. After wk 7, we observed greater starter intake for calves fed approximately 16.1% total solids. Water intake, feed efficiency, and withers height were similar among treatments. Increasing concentrations of total solids in liquid feed quadratically affected average daily gain, final body weight, and empty body weight. We observed a greater average daily gain for calves fed approximately 20.4% total solids. Passage rate, nutrient digestibility, development of pre-stomachs and intestine, and body composition were similar among treatments. Increasing the concentration of total solids in liquid feed up to 20.4% reduced starter intake between 4 and 6wk of life, but increased average daily gain. It did not affect passage rate, nutrient digestibility, ruminal and organ development, or body composition in calves during the preweaning period, indicating that this strategy may be a viable alternative for feeding without increasing the total volume of liquid feed provided to dairy calves. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Detecting vapour bubbles in simulations of metastable water

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

González, Miguel A.; Abascal, Jose L. F.; Valeriani, Chantal, E-mail: christoph.dellago@univie.ac.at, E-mail: cvaleriani@quim.ucm.es

2014-11-14

The investigation of cavitation in metastable liquids with molecular simulations requires an appropriate definition of the volume of the vapour bubble forming within the metastable liquid phase. Commonly used approaches for bubble detection exhibit two significant flaws: first, when applied to water they often identify the voids within the hydrogen bond network as bubbles thus masking the signature of emerging bubbles and, second, they lack thermodynamic consistency. Here, we present two grid-based methods, the M-method and the V-method, to detect bubbles in metastable water specifically designed to address these shortcomings. The M-method incorporates information about neighbouring grid cells to distinguishmore » between liquid- and vapour-like cells, which allows for a very sensitive detection of small bubbles and high spatial resolution of the detected bubbles. The V-method is calibrated such that its estimates for the bubble volume correspond to the average change in system volume and are thus thermodynamically consistent. Both methods are computationally inexpensive such that they can be used in molecular dynamics and Monte Carlo simulations of cavitation. We illustrate them by computing the free energy barrier and the size of the critical bubble for cavitation in water at negative pressure.« less

Early stages in the evolution of the atmosphere and climate on the Earth-group planets

NASA Technical Reports Server (NTRS)

Moroz, V. I.; Mukhin, L. M.

1977-01-01

The early evolution of the atmospheres and climate of the Earth, Mars and Venus is discussed, based on a concept of common initial conditions and main processes (besides known differences in chemical composition and outgassing rate). It is concluded that: (1) liquid water appeared on the surface of the earth in the first few hundred million years; the average surface temperature was near the melting point for about the first two eons; CO2 was the main component of the atmosphere in the first 100-500 million years; (2) much more temperate outgassing and low solar heating led to the much later appearance of liquid water on the Martian surface, only one to two billion years ago; the Martian era of rivers, relatively dense atmosphere and warm climate ended as a result of irreversible chemical bonding of CO2 by Urey equilibrium processes; (3) a great lack of water in the primordial material of Venus is proposed; liquid water never was present on the surface of the planet, and there was practically no chemical bonding of CO2; the surface temperature was over 600 K four billion years ago.

Study of thioflavin-T immobilized in porous silicon and the effect of different organic vapors on the fluorescence lifetime.

PubMed

Hutter, Tanya; Amdursky, Nadav; Gepshtein, Rinat; Elliott, Stephen R; Huppert, Dan

2011-06-21

Steady-state and time-resolved emission techniques have been employed to study the fluorescence properties of thioflavin-T (ThT) adsorbed on oxidized porous silicon (PSi) surfaces, with an average pore size of ∼10 nm. We found that the average fluorescence decay time of ThT, when it is adsorbed on the PSi surface, is rather long, τ(av) = 1.3 ns. We attribute this relatively long emission lifetime to the effect of the immobilization of ThT on the PSi surface, which inhibit the rotation of the aniline with respect to the benzothiazole moieties of ThT. We also measured the fluorescence properties of ThT in PSi samples in equilibrium with vapors of several liquids, such as methanol, acetonitrile, and water. We found that the fluorescence intensity drops by a factor of 10, and the average decay time, measured by a time-correlated single-photon counting technique, decreases by a factor of 3. We explain these results in terms of liquid condensation of the vapors in the PSi pores, which leads to partial dissolution of the ThT molecules in the liquid pools. © 2011 American Chemical Society

Foam fractionation as a tool to study the air-water interface structure-function relationship of wheat gluten hydrolysates.

PubMed

Wouters, Arno G B; Rombouts, Ine; Schoebrechts, Nele; Fierens, Ellen; Brijs, Kristof; Blecker, Christophe; Delcour, Jan A

2017-03-01

Enzymatic hydrolysis of wheat gluten protein improves its solubility and produces hydrolysates with foaming properties which may find applications in food products. First, we here investigated whether foam-liquid fractionation can concentrate wheat gluten peptides with foaming properties. Foam and liquid fractions had high and very low foam stability (FS), respectively. In addition, foam fractions were able to decrease surface tension more pronouncedly than un-fractionated samples and liquid fractions, suggesting they are able to arrange themselves more efficiently at an interface. As a second objective, foam fractionation served as a tool to study the structural properties of the peptides, causing these differences in air-water interfacial behavior. Zeta potential and surface hydrophobicity measurements did not fully explain these differences but suggested that hydrophobic interactions at the air-water interface are more important than electrostatic interactions. RP-HPLC showed a large overlap between foam and liquid fractions. However, a small fraction of very hydrophobic peptides with relatively high average molecular mass was clearly enriched in the foam fraction. These peptides were also more concentrated in un-fractionated DH 2 hydrolysates, which had high FS, than in DH 6 hydrolysates, which had low FS. These peptides most likely play a key role in stabilizing the air-water interface. Copyright © 2016 Elsevier B.V. All rights reserved.

Cooling of Gas Turbines. 3; Analysis of Rotor and Blade Temperatures in Liquid-Cooled Gas Turbines

NASA Technical Reports Server (NTRS)

Brown, W. Byron; Livingood, John N. B.

1947-01-01

A theoretical analysis of the radial temperature distribution through the rotor and constant cross sectional area blades near the coolant passages of liquid cooled gas turbines was made. The analysis was applied to obtain the rotor and blade temperatures of a specific turbine using a gas flow of 55 pounds per second, a coolant flow of 6.42 pounds per second, and an average coolant temperature of 200 degrees F. The effect of using kerosene, water, and ethylene glycol was determined. The effect of varying blade length and coolant passage lengths with water as the coolant was also determined. The effective gas temperature was varied from 2000 degrees to 5000 degrees F in each investigation.

Determination of bulk properties of tropical cloud clusters from large scale heat and moisture budgets, appendix B

NASA Technical Reports Server (NTRS)

Yanai, M.; Esbensen, S.; Chu, J.

1972-01-01

The bulk properties of tropical cloud clusters, as the vertical mass flux, the excess temperature, and moisture and the liquid water content of the clouds, are determined from a combination of the observed large-scale heat and moisture budgets over an area covering the cloud cluster, and a model of a cumulus ensemble which exchanges mass, heat, vapor and liquid water with the environment through entrainment and detrainment. The method also provides an understanding of how the environmental air is heated and moistened by the cumulus convection. An estimate of the average cloud cluster properties and the heat and moisture balance of the environment, obtained from 1956 Marshall Islands data, is presented.

Observations of cloud liquid water path over oceans: Optical and microwave remote sensing methods

NASA Technical Reports Server (NTRS)

Lin, Bing; Rossow, William B.

1994-01-01

Published estimates of cloud liquid water path (LWP) from satellite-measured microwave radiation show little agreement, even about the relative magnitudes of LWP in the tropics and midlatitudes. To understand these differences and to obtain more reliable estimate, optical and microwave LWP retrieval methods are compared using the International Satellite Cloud Climatology Project (ISCCP) and special sensor microwave/imager (SSM/I) data. Errors in microwave LWP retrieval associated with uncertainties in surface, atmosphere, and cloud properties are assessed. Sea surface temperature may not produce great LWP errors, if accurate contemporaneous measurements are used in the retrieval. An uncertainty of estimated near-surface wind speed as high as 2 m/s produces uncertainty in LWP of about 5 mg/sq cm. Cloud liquid water temperature has only a small effect on LWP retrievals (rms errors less than 2 mg/sq cm), if errors in the temperature are less than 5 C; however, such errors can produce spurious variations of LWP with latitude and season. Errors in atmospheric column water vapor (CWV) are strongly coupled with errors in LWP (for some retrieval methods) causing errors as large as 30 mg/sq cm. Because microwave radiation is much less sensitive to clouds with small LWP (less than 7 mg/sq cm) than visible wavelength radiation, the microwave results are very sensitive to the process used to separate clear and cloudy conditions. Different cloud detection sensitivities in different microwave retrieval methods bias estimated LWP values. Comparing ISCCP and SSM/I LWPs, we find that the two estimated values are consistent in global, zonal, and regional means for warm, nonprecipitating clouds, which have average LWP values of about 5 mg/sq cm and occur much more frequently than precipitating clouds. Ice water path (IWP) can be roughly estimated from the differences between ISCCP total water path and SSM/I LWP for cold, nonprecipitating clouds. IWP in the winter hemisphere is about 3 times the LWP but only half the LWP in the summer hemisphere. Precipitating clouds contribute significantly to monthly, zonal mean LWP values determined from microwave, especially in the intertropical convergence zone (ITCZ), because they have almost 10 times the liquid water (cloud plus precipitation) of nonprecipitating clouds on average. There are significant differences among microwave LWP estimates associated with the treatment of precipitating clouds.

Perfluoroalkyl acids in surface waters and tapwater in the Qiantang River watershed-Influences from paper, textile, and leather industries.

PubMed

Lu, Guo-Hui; Gai, Nan; Zhang, Peng; Piao, Hai-Tao; Chen, Shu; Wang, Xiao-Chun; Jiao, Xing-Chun; Yin, Xiao-Cai; Tan, Ke-Yan; Yang, Yong-Liang

2017-10-01

Perfluoroalkyl acids (PFAAs) are widely used as multi-purpose surfactants or water/oil repellents. In order to understand the contamination level and compositional profiles of PFAAs in aqueous environment in textile, leather, and paper making industrial areas, surface waters and tap waters were collected along the watershed of the Qiantang River where China's largest textile, leather, and paper making industrial bases are located. For comparison, surface water and tapwater samples were also collected in Hangzhou and its adjacent areas. 17 PFAAs were analyzed by solid phase extraction-high performance liquid chromatography-tandem mass spectrometry. The results show that the total concentrations of PFAAs (ΣPFAAs) in the Qiantang River waters ranged from 106.1 to 322.9 ng/L, averaging 164.2 ng/L. The contamination levels have been found to be extremely high, comparable to the levels of the most serious PFAA contamination in surface waters of China. The PFAA composition profiles were characterized by the dominant PFOA (average 58.1% of the total PFAAs), and PFHxA (average 18.8%). The ΣPFAAs in tap water ranged from 9.5 to 174.8 ng/L, showing PFAA compositional pattern similar to the surface waters. Good correlations between PFAA composition profiles in tap waters and the surface waters were observed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Diffusion and mobility of atomic particles in a liquid

NASA Astrophysics Data System (ADS)

Smirnov, B. M.; Son, E. E.; Tereshonok, D. V.

2017-11-01

The diffusion coefficient of a test atom or molecule in a liquid is determined for the mechanism where the displacement of the test molecule results from the vibrations and motion of liquid molecules surrounding the test molecule and of the test particle itself. This leads to a random change in the coordinate of the test molecule, which eventually results in the diffusion motion of the test particle in space. Two models parameters of interaction of a particle and a liquid are used to find the activation energy of the diffusion process under consideration: the gas-kinetic cross section for scattering of test molecules in the parent gas and the Wigner-Seitz radius for test molecules. In the context of this approach, we have calculated the diffusion coefficient of atoms and molecules in water, where based on experimental data, we have constructed the dependence of the activation energy for the diffusion of test molecules in water on the interaction parameter and the temperature dependence for diffusion coefficient of atoms or molecules in water within the models considered. The statistically averaged difference of the activation energies for the diffusion coefficients of different test molecules in water that we have calculated based on each of the presented models does not exceed 10% of the diffusion coefficient itself. We have considered the diffusion of clusters in water and present the dependence of the diffusion coefficient on the cluster size. The accuracy of the presented formulas for the diffusion coefficient of atomic particles in water is estimated to be 50%.

[Determination of aniline in water and fish by liquid chromatography-tandem mass spectrometry].

PubMed

He, Dechun; Zhao, Bo; Tang, Caiming; Xu, Zhencheng; Zhang, Sukun; Han, Jinglei

2014-09-01

A fast analytical method for the determination of aniline in water and fish meat by liquid chromatography-tandem mass spectrometry (LC-MS/MS) has been developed. The water sample was mixed with acetonitrile by 4:1 (v/v) and the fish sample was extracted by 2.00 mL acetonitrile for each gram of sample, and then the extracts of water and fish samples were centrifuged at 5,000 r/min for 5 min. The separation was performed on a reversed-phase C18 column using mobile phases of acetonitrile-0.5% (v/v) formic acid aqueous solution (85:15, v/v). Aniline was separated within 3 min. The calibration curve was linear in the range of 0.5-500 pg/L with R2 > 0.999. The limits of detection (LODs) were 0.50 μg/L and 1.00 μg/kg and the limits of quantification (LOQs) were 1.00 μg/L and 2.00 μg/kg for aniline in water and fish meat, respectively. The average recoveries of aniline in water were 93.7% at the spiked level of 40 ng and 86.7% at the spiked level of 400 ng (n = 5). The average recoveries of aniline in fish were 96.8%, 92.6% and 81.8% at the spiked levels of 5, 50 and 500 ng respectively (n = 5). The relative standard deviations were 1.5%-9.2%. Thirteen water samples and twelve fish samples were collected from a reservoir polluted by aniline and the maximum contents found were 1,943. 6 μg/L in water and 60.8 μg/kg in fish. The method is suitable for the determination of aniline residues in water and fish with the characteristics of easy operation, high accuracy and precision.

Hydrodynamic water impact. [Apollo spacecraft waterlanding

NASA Technical Reports Server (NTRS)

Kettleborough, C. F.

1972-01-01

The hydrodynamic impact of a falling body upon a viscous incompressible fluid was investigated by numerically solving the equations of motion. Initially the mathematical model simulated the axisymmetric impact of a rigid right circular cylinder upon the initially quiescent free surface of a fluid. A compressible air layer exists between the falling cylinder and the liquid free surface. The mathematical model was developed by applying the Navier-Stokes equations to the incompressible air layer and the incompressible fluid. Assuming the flow to be one dimensional within the air layer, the average velocity, pressure and density distributions were calculated. The liquid free surface was allowed to deform as the air pressure acting on it increases. For the liquid the normalized equations were expressed in two-dimensional cylindrical coordinates. The governing equations for the air layer and the liquid were expressed in finite difference form and solved numerically. For the liquid a modified version of the Marker-and-Cell method was used. The mathematical model has been reexamined and a new approach has recently been initiated. Essentially this consists of examining the impact of an inclined plate onto a quiesent water surface with the equations now formulated in cartesian coordinates.

Dipolar correlations and the dielectric permittivity of water.

PubMed

Sharma, Manu; Resta, Raffaele; Car, Roberto

2007-06-15

The static dielectric properties of liquid and solid water are investigated within linear response theory in the context of ab initio molecular dynamics. Using maximally localized Wannier functions to treat the macroscopic polarization we formulate a first-principles, parameter-free, generalization of Kirkwood's phenomenological theory. Our calculated static permittivity is in good agreement with experiment. Two effects of the hydrogen bonds, i.e., a significant increase of the average local moment and a local alignment of the molecular dipoles, contribute in almost equal measure to the unusually large dielectric constant of water.

Retrieval of Ocean Surface Windspeed and Rainrate from the Hurricane Imaging Radiometer (HIRAD) Brightness Temperature Observations

NASA Technical Reports Server (NTRS)

Biswas, Sayak K.; Jones, Linwood; Roberts, Jason; Ruf, Christopher; Ulhorn, Eric; Miller, Timothy

2012-01-01

The Hurricane Imaging Radiometer (HIRAD) is a new airborne synthetic aperture passive microwave radiometer capable of wide swath imaging of the ocean surface wind speed under heavy precipitation e.g. in tropical cyclones. It uses interferometric signal processing to produce upwelling brightness temperature (Tb) images at its four operating frequencies 4, 5, 6 and 6.6 GHz [1,2]. HIRAD participated in NASA s Genesis and Rapid Intensification Processes (GRIP) mission during 2010 as its first science field campaign. It produced Tb images with 70 km swath width and 3 km resolution from a 20 km altitude. From this, ocean surface wind speed and column averaged atmospheric liquid water content can be retrieved across the swath. The column averaged liquid water then could be related to an average rain rate. The retrieval algorithm (and the HIRAD instrument itself) is a direct descendant of the nadir-only Stepped Frequency Microwave Radiometer that is used operationally by the NOAA Hurricane Research Division to monitor tropical cyclones [3,4]. However, due to HIRAD s slant viewing geometry (compared to nadir viewing SFMR) a major modification is required in the algorithm. Results based on the modified algorithm from the GRIP campaign will be presented in the paper.

Absorption Properties of Supercooled Liquid Water between 31 and 225 GHz: Evaluation of Absorption Models Using Ground-Based Observations

DOE PAGES

Kneifel, Stefan; Redl, Stephanie; Orlandi, Emiliano; ...

2014-04-10

Microwave radiometers (MWR) are commonly used to quantify the amount of supercooled liquid water (SLW) in clouds; however, the accuracy of the SLW retrievals is limited by the poor knowledge of the SLW dielectric properties at microwave frequencies. Six liquid water permittivity models were compared with ground-based MWR observations between 31 and 225 GHz from sites in Greenland, the German Alps, and a low-mountain site; average cloud temperatures of observed thin cloud layers range from 0° to –33°C. A recently published method to derive ratios of liquid water opacity from different frequencies was employed in this analysis. These ratios aremore » independent of liquid water path and equal to the ratio of αL at those frequencies that can be directly compared with the permittivity model predictions. The observed opacity ratios from all sites show highly consistent results that are generally within the range of model predictions; however, none of the models are able to approximate the observations over the entire frequency and temperature range. Findings in earlier published studies were used to select one specific model as a reference model for αL at 90 GHz; together with the observed opacity ratios, the temperature dependence of αL at 31.4, 52.28, 150, and 225 GHz was derived. The results reveal that two models fit the opacity ratio data better than the other four models, with one of the two models fitting the data better for frequencies below 90 GHz and the other for higher frequencies. Furthermore, these findings are relevant for SLW retrievals and radiative transfer in the 31–225-GHz frequency region.« less

A coupled melt-freeze temperature index approach in a one-layer model to predict bulk volumetric liquid water content dynamics in snow

NASA Astrophysics Data System (ADS)

Avanzi, Francesco; Yamaguchi, Satoru; Hirashima, Hiroyuki; De Michele, Carlo

2016-04-01

Liquid water in snow rules runoff dynamics and wet snow avalanches release. Moreover, it affects snow viscosity and snow albedo. As a result, measuring and modeling liquid water dynamics in snow have important implications for many scientific applications. However, measurements are usually challenging, while modeling is difficult due to an overlap of mechanical, thermal and hydraulic processes. Here, we evaluate the use of a simple one-layer one-dimensional model to predict hourly time-series of bulk volumetric liquid water content in seasonal snow. The model considers both a simple temperature-index approach (melt only) and a coupled melt-freeze temperature-index approach that is able to reconstruct melt-freeze dynamics. Performance of this approach is evaluated at three sites in Japan. These sites (Nagaoka, Shinjo and Sapporo) present multi-year time-series of snow and meteorological data, vertical profiles of snow physical properties and snow melt lysimeters data. These data-sets are an interesting opportunity to test this application in different climatic conditions, as sites span a wide latitudinal range and are subjected to different snow conditions during the season. When melt-freeze dynamics are included in the model, results show that median absolute differences between observations and predictions of bulk volumetric liquid water content are consistently lower than 1 vol%. Moreover, the model is able to predict an observed dry condition of the snowpack in 80% of observed cases at a non-calibration site, where parameters from calibration sites are transferred. Overall, the analysis show that a coupled melt-freeze temperature-index approach may be a valid solution to predict average wetness conditions of a snow cover at local scale.

Temporal properties of secondary drop breakup in the bag-stamen breakup regime

NASA Astrophysics Data System (ADS)

Zhao, Hui; Liu, Hai-Feng; Xu, Jian-Liang; Li, Wei-Feng; Lin, Kuang-Fei

2013-05-01

The situation of liquid drop bag-stamen breakup in a continuous air jet flow is investigated by a high speed camera. Test liquids include water, ethanol, and various glycerol mixtures. First, the morphology of bag-stamen breakup is observed and analyzed. The bag-stamen breakup range is found to be in good agreement with the model obtained by Rayleigh-Taylor instability. Then the disk and stamen deformation properties, the fragment average size, and size distribution of ring and stamen are researched in detail, respectively.

Oil/water displacement in microfluidic packed beds under weakly water-wetting conditions: competition between precursor film flow and piston-like displacement

NASA Astrophysics Data System (ADS)

Tanino, Yukie; Zacarias-Hernandez, Xanat; Christensen, Magali

2018-02-01

Optical microscopy was used to measure depth-averaged oil distribution in a quasi-monolayer of crushed marble packed in a microfluidic channel as it was displaced by water. By calibrating the transmitted light intensity to oil thickness, we account for depth variation in the fluid distribution. Experiments reveal that oil saturation at water breakthrough decreases with increasing Darcy velocity, U_{ {w}}, between capillary numbers {Ca} = μ _{ {w}} U_{ {w}}/σ = 9× 10^{-7} and 9× 10^{-6}, where μ _{ {w}} is the dynamic viscosity of water and σ is the oil/water interfacial tension, under the conditions considered presently. In contrast, end-point (long-time) remaining oil saturation depends only weakly on U_{ {w}}. This transient dependence on velocity is attributed to the competition between precursor film flow, which controls early time invasion dynamics but is inefficient at displacing oil, and piston-like displacement, which controls ultimate oil recovery. These results demonstrate that microfluidic experiments using translucent grains and fluids are a convenient tool for quantitative investigation of sub-resolution liquid/liquid displacement in porous media.

The dynamic behavior of a liquid ethanol-water mixture: a perspective from quantum chemical topology.

PubMed

Mejía, Sol M; Mills, Matthew J L; Shaik, Majeed S; Mondragon, Fanor; Popelier, Paul L A

2011-05-07

Quantum Chemical Topology (QCT) is used to reveal the dynamics of atom-atom interactions in a liquid. A molecular dynamics simulation was carried out on an ethanol-water liquid mixture at its azeotropic concentration (X(ethanol)=0.899), using high-rank multipolar electrostatics. A thousand (ethanol)(9)-water heterodecamers, respecting the water-ethanol ratio of the azeotropic mixture, were extracted from the simulation. Ab initio electron densities were computed at the B3LYP/6-31+G(d) level for these molecular clusters. A video shows the dynamical behavior of a pattern of bond critical points and atomic interaction lines, fluctuating over 1 ns. A bond critical point distribution revealed the fluctuating behavior of water and ethanol molecules in terms of O-H···O, C-H···O and H···H interactions. Interestingly, the water molecule formed one to six C-H···O and one to four O-H···O interactions as a proton acceptor. We found that the more localized a dynamical bond critical point distribution, the higher the average electron density at its bond critical points. The formation of multiple C-H···O interactions affected the shape of the oxygen basin of the water molecule, which is shown in three dimensions. The hydrogen atoms of water strongly preferred to form H···H interactions with ethanol's alkyl hydrogen atoms over its hydroxyl hydrogen. This journal is © the Owner Societies 2011

Pilot-scale study on the treatment of basal aquifer water using ultrafiltration, reverse osmosis and evaporation/crystallization to achieve zero-liquid discharge.

PubMed

Loganathan, Kavithaa; Chelme-Ayala, Pamela; Gamal El-Din, Mohamed

2016-01-01

Basal aquifer water is deep groundwater found at the bottom of geological formations, underlying bitumen-saturated sands. Some of the concerns associated with basal aquifer water at the Athabasca oil sands are the high concentrations of hardness-causing compounds, alkalinity, and total dissolved solids. The objective of this pilot-scale study was to treat basal aquifer water to a quality suitable for its reuse in the production of synthetic oil. To achieve zero-liquid discharge (ZLD) conditions, the treatment train included chemical oxidation, polymeric ultrafiltration (UF), reverse osmosis (RO), and evaporation-crystallization technologies. The results indicated that the UF unit was effective in removing solids, with UF filtrate turbidity averaging 2.0 NTU and silt density index averaging 0.9. Membrane autopsies indicated that iron was the primary foulant on the UF and RO membranes. Laboratory and pilot-scale tests on RO reject were conducted to determine the feasibility of ZLD crystallization. Due to the high amounts of calcium, magnesium, and bicarbonate in the RO reject, softening of the feed was required to avoid scaling in the evaporator. Crystals produced throughout the testing were mainly sodium chloride. The results of this study indicated that the ZLD approach was effective in both producing freshwater and minimizing brine discharges. Copyright © 2015 Elsevier Ltd. All rights reserved.

Effect of surface roughness on liquid property measurements using mechanically oscillating sensors

NASA Technical Reports Server (NTRS)

Jain, Mahaveer K.; Grimes, Craig A.

2002-01-01

The resonant frequency and quality factor Q of a liquid immersed magnetoelastic sensor are shown to shift linearly with the liquid viscosity and density product. Measurements using different grade oils, organic chemicals, and glycerol-water mixtures show that the surface roughness of the sensor in combination with the molecular size of the liquid play important roles in determining measurement sensitivity, which can be controlled through adjusting the surface roughness of the sensor surface. A theoretical model describing the sensor resonant frequency and quality factor Q as a function of liquid properties is developed using a novel equivalent circuit approach. Experimental results are in agreement with theory when the liquid molecule size is larger than the average surface roughness. However, when the molecular size of the liquid is small relative to the surface roughness features molecules are trapped, and the trapped molecules act both as a mass load and viscous load; the result is higher viscous damping of the sensor than expected. c2002 Elsevier Science B.V. All rights reserved.

Prediction of moisture variation during composting process: A comparison of mathematical models.

PubMed

Wang, Yongjiang; Ai, Ping; Cao, Hongliang; Liu, Zhigang

2015-10-01

This study was carried out to develop and compare three models for simulating the moisture content during composting. Model 1 described changes in water content using mass balance, while Model 2 introduced a liquid-gas transferred water term. Model 3 predicted changes in moisture content without complex degradation kinetics. Average deviations for Model 1-3 were 8.909, 7.422 and 5.374 kg m(-3) while standard deviations were 10.299, 8.374 and 6.095, respectively. The results showed that Model 1 is complex and involves more state variables, but can be used to reveal the effect of humidity on moisture content. Model 2 tested the hypothesis of liquid-gas transfer and was shown to be capable of predicting moisture content during composting. Model 3 could predict water content well without considering degradation kinetics. Copyright © 2015 Elsevier Ltd. All rights reserved.

Process Intensification of Enzymatic Fatty Acid Butyl Ester Synthesis Using a Continuous Centrifugal Contactor Separator.

PubMed

Ilmi, Miftahul; Abduh, Muhammad Y; Hommes, Arne; Winkelman, Jozef G M; Hidayat, Chusnul; Heeres, Hero J

2018-01-17

Fatty acid butyl esters were synthesized from sunflower oil with 1-butanol using a homogeneous Rhizomucor miehei lipase in a biphasic organic (triglyceride, 1-butanol, hexane)- water (with enzyme) system in a continuous setup consisting of a cascade of a stirred tank reactor and a continuous centrifugal contactor separator (CCCS), the latter being used for integrated reaction and liquid-liquid separation. A fatty acid butyl ester yield up to 93% was obtained in the cascade when operated in a once-through mode. The cascade was run for 8 h without operational issues. Enzyme recycling was studied by reintroduction of the water phase from the CCCS outlet to the stirred tank reactor. Product yield decreased over time to an average of 50% of the initial value, likely due to accumulation of 1-butanol in water phase, loss of enzyme due to agglomeration, and the formation of a separate enzyme layer.

Forecast model applications of retrieved three dimensional liquid water fields

NASA Technical Reports Server (NTRS)

Raymond, William H.; Olson, William S.

1990-01-01

Forecasts are made for tropical storm Emily using heating rates derived from the SSM/I physical retrievals described in chapters 2 and 3. Average values of the latent heating rates from the convective and stratiform cloud simulations, used in the physical retrieval, are obtained for individual 1.1 km thick vertical layers. Then, the layer-mean latent heating rates are regressed against the slant path-integrated liquid and ice precipitation water contents to determine the best fit two parameter regression coefficients for each layer. The regression formulae and retrieved precipitation water contents are utilized to infer the vertical distribution of heating rates for forecast model applications. In the forecast model, diabatic temperature contributions are calculated and used in a diabatic initialization, or in a diabatic initialization combined with a diabatic forcing procedure. Our forecasts show that the time needed to spin-up precipitation processes in tropical storm Emily is greatly accelerated through the application of the data.

An automated and semi-continuous method for the analysis of water-soluble constituents in PM(2.5).

PubMed

Lee, B K; Kim, Y H; Lee, D S

2008-04-01

An automated and semi-continuous method for measuring water-soluble constituents in PM(2.5) was developed. The system consists of a multi-tube diffusion scrubber (MTDS), a low temperature particle impactor (LTPI), an inertial air/liquid separator, and two ion chromatography systems. The MTDS acts as an interfering gas removal system and also as a humidifier for growing particles. Since the MTDS operates at 40 degrees C, the loss of volatile compounds and hydrological conversion of nitrogen oxides to nitrite were not of significant concern. The condensation of water vapor, dissolution of soluble constituents, and capture of insoluble particles occurred in the LTPI. The condensed liquid containing the dissolved species and the insoluble particles was separated from the airflow using an inertial air/liquid separator. The analysis of cations and anions in the effluent liquid was performed using two ion chromatography systems. The collection efficiency, including the inlet loss, of the system was 96.6+/-7.1% at an air flow rate of 1.0 SLPM. The limits of detection ranged from 12 to 57 ng/m(3) for major ionic constituents without any pre-concentration procedure. This method was tested in the field and the average data capture was over 90%, demonstrating the reliability of the system.

Simultaneous quantification of 21 water soluble vitamin circulating forms in human plasma by liquid chromatography-mass spectrometry.

PubMed

Meisser Redeuil, Karine; Longet, Karin; Bénet, Sylvie; Munari, Caroline; Campos-Giménez, Esther

2015-11-27

This manuscript reports a validated analytical approach for the quantification of 21 water soluble vitamins and their main circulating forms in human plasma. Isotope dilution-based sample preparation consisted of protein precipitation using acidic methanol enriched with stable isotope labelled internal standards. Separation was achieved by reversed-phase liquid chromatography and detection performed by tandem mass spectrometry in positive electrospray ionization mode. Instrumental lower limits of detection and quantification reached <0.1-10nM and 0.2-25nM, respectively. Commercially available pooled human plasma was used to build matrix-matched calibration curves ranging 2-500, 5-1250, 20-5000 or 150-37500nM depending on the analyte. The overall performance of the method was considered adequate, with 2.8-20.9% and 5.2-20.0% intra and inter-day precision, respectively and averaged accuracy reaching 91-108%. Recovery experiments were also performed and reached in average 82%. This analytical approach was then applied for the quantification of circulating water soluble vitamins in human plasma single donor samples. The present report provides a sensitive and reliable approach for the quantification of water soluble vitamins and main circulating forms in human plasma. In the future, the application of this analytical approach will give more confidence to provide a comprehensive assessment of water soluble vitamins nutritional status and bioavailability studies in humans. Copyright © 2015 Elsevier B.V. All rights reserved.

[Athletic drinks: body rehydration as a vital aspect].

PubMed

Novokshanova, A L; Ozhiganova, E V

2013-01-01

106 students of the Faculty of Physical Education and athletes who train at the center of power arts (aged 18 to 30 years) have been investigated. The relation between the amount of lost and consumed liquid during physical activity has been studied. The amount of fluid lost was determined by the method of measuring the body mass of an athlete before and after the workout. The kinds of liquids used for eliminating dehydration have been analyzed. It has been revealed that while doing some physical activity and sports most of those being tested don't restore the lost liquid volume (with an average weight loss of 1,15 kg the amount of fluids they drunk was 0.91 l). In the given research the interrelation between the body weight and the lost liquid amount, and between the lost liquid amount and the kind of sports has not been exposed. Liquid loss of athletes in the medium intensive training process during the period of 1.5 h at the ambient temperature 21-22 degrees C constituted on average 1.53% of the body weight and didn't depend on the kind of sports. Despite the advantages of the athletic drinks are evident, the share of their consumption among the athletes in Russia is negligibly small. The great majority of respondents, namely 72%, use common or mineral water to restore the liquid. Only 6% of those being tested consume specialized athletic drinks.

Wintertime water-soluble aerosol composition and particle water content in Fresno, California

NASA Astrophysics Data System (ADS)

Parworth, Caroline L.; Young, Dominique E.; Kim, Hwajin; Zhang, Xiaolu; Cappa, Christopher D.; Collier, Sonya; Zhang, Qi

2017-03-01

The composition and concentrations of water-soluble gases and ionic aerosol components were measured from January to February 2013 in Fresno, CA, with a particle-into-liquid sampler with ion chromatography and annular denuders. The average (±1σ) ionic aerosol mass concentration was 15.0 (±9.4) µg m-3, and dominated by nitrate (61%), followed by ammonium, sulfate, chloride, potassium, nitrite, and sodium. Aerosol-phase organic acids, including formate and glycolate, and amines including methylaminium, triethanolaminium, ethanolaminium, dimethylaminium, and ethylaminium were also detected. Although the dominant species all came from secondary aerosol formation, there were primary sources of ionic aerosols as well, including biomass burning for potassium and glycolate, sea spray for sodium, chloride, and dimethylamine, and vehicles for formate. Particulate methanesulfonic acid was also detected and mainly associated with terrestrial sources. On average, the molar concentration of ammonia was 49 times greater than nitric acid, indicating that ammonium nitrate formation was limited by nitric acid availability. Particle water was calculated based on the Extended Aerosol Inorganics Model (E-AIM) thermodynamic prediction of inorganic particle water and κ-Köhler theory approximation of organic particle water. The average (±1σ) particle water concentration was 19.2 (±18.6) µg m-3, of which 90% was attributed to inorganic species. The fractional contribution of particle water to total fine particle mass averaged at 36% during this study and was greatest during early morning and night and least during the day. Based on aqueous-phase concentrations of ions calculated by using E-AIM, the average (±1σ) pH of particles in Fresno during the winter was estimated to be 4.2 (±0.2).

On the equilibrium contact angle of sessile liquid drops from molecular dynamics simulations.

PubMed

Ravipati, Srikanth; Aymard, Benjamin; Kalliadasis, Serafim; Galindo, Amparo

2018-04-28

We present a new methodology to estimate the contact angles of sessile drops from molecular simulations by using the Gaussian convolution method of Willard and Chandler [J. Phys. Chem. B 114, 1954-1958 (2010)] to calculate the coarse-grained density from atomic coordinates. The iso-density contour with average coarse-grained density value equal to half of the bulk liquid density is identified as the average liquid-vapor (LV) interface. Angles between the unit normal vectors to the average LV interface and unit normal vector to the solid surface, as a function of the distance normal to the solid surface, are calculated. The cosines of these angles are extrapolated to the three-phase contact line to estimate the sessile drop contact angle. The proposed methodology, which is relatively easy to implement, is systematically applied to three systems: (i) a Lennard-Jones (LJ) drop on a featureless LJ 9-3 surface; (ii) an SPC/E water drop on a featureless LJ 9-3 surface; and (iii) an SPC/E water drop on a graphite surface. The sessile drop contact angles estimated with our methodology for the first two systems are shown to be in good agreement with the angles predicted from Young's equation. The interfacial tensions required for this equation are computed by employing the test-area perturbation method for the corresponding planar interfaces. Our findings suggest that the widely adopted spherical-cap approximation should be used with caution, as it could take a long time for a sessile drop to relax to a spherical shape, of the order of 100 ns, especially for water molecules initiated in a lattice configuration on a solid surface. But even though a water drop can take a long time to reach the spherical shape, we find that the contact angle is well established much faster and the drop evolves toward the spherical shape following a constant-contact-angle relaxation dynamics. Making use of this observation, our methodology allows a good estimation of the sessile drop contact angle values even for moderate system sizes (with, e.g., 4000 molecules), without the need for long simulation times to reach the spherical shape.

On the equilibrium contact angle of sessile liquid drops from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Ravipati, Srikanth; Aymard, Benjamin; Kalliadasis, Serafim; Galindo, Amparo

2018-04-01

We present a new methodology to estimate the contact angles of sessile drops from molecular simulations by using the Gaussian convolution method of Willard and Chandler [J. Phys. Chem. B 114, 1954-1958 (2010)] to calculate the coarse-grained density from atomic coordinates. The iso-density contour with average coarse-grained density value equal to half of the bulk liquid density is identified as the average liquid-vapor (LV) interface. Angles between the unit normal vectors to the average LV interface and unit normal vector to the solid surface, as a function of the distance normal to the solid surface, are calculated. The cosines of these angles are extrapolated to the three-phase contact line to estimate the sessile drop contact angle. The proposed methodology, which is relatively easy to implement, is systematically applied to three systems: (i) a Lennard-Jones (LJ) drop on a featureless LJ 9-3 surface; (ii) an SPC/E water drop on a featureless LJ 9-3 surface; and (iii) an SPC/E water drop on a graphite surface. The sessile drop contact angles estimated with our methodology for the first two systems are shown to be in good agreement with the angles predicted from Young's equation. The interfacial tensions required for this equation are computed by employing the test-area perturbation method for the corresponding planar interfaces. Our findings suggest that the widely adopted spherical-cap approximation should be used with caution, as it could take a long time for a sessile drop to relax to a spherical shape, of the order of 100 ns, especially for water molecules initiated in a lattice configuration on a solid surface. But even though a water drop can take a long time to reach the spherical shape, we find that the contact angle is well established much faster and the drop evolves toward the spherical shape following a constant-contact-angle relaxation dynamics. Making use of this observation, our methodology allows a good estimation of the sessile drop contact angle values even for moderate system sizes (with, e.g., 4000 molecules), without the need for long simulation times to reach the spherical shape.

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.

Fluid intake patterns: an epidemiological study among children and adolescents in Brazil

PubMed Central

2012-01-01

Background Energy from liquids is one of the most important factors that could impact on the high prevalence of children and adolescents obesity around the world. There are few data on the liquid consumption in Brazil. The aim of this study is to evaluate the volume and quality of liquids consumed by Brazilian children and adolescents and to determine the proportion of their daily energy intake composed of liquids. Methods A multicenter study was conducted in five Brazilian cities; the study included 831 participants between 3 and 17 years of age. A four-day dietary record specific to fluids was completed for each individual, and the volume of and Kcal from liquid intake were evaluated. The average number of Kcal in each beverage was determined based on label information, and the daily energy intake data from liquids were compared with the recommendations of the National Health Surveillance Agency (Agência Nacional de Vigilância Sanitária– ANVISA), the Brazilian food regulation authority, according to each subject’s age. Results As the children aged, the volume of carbonated beverages that they consumed increased significantly, and their milk intake decreased significantly. For children between the ages of 3 and 10, milk and dairy products contributed the greatest daily number of Kcal from liquids. Sugar sweetened beverages which included carbonated beverages, nectars and artificial beverages, accounted for 37% and 45% of the total Kcal from liquid intake in the 3- to 6-year-old and 7- to 10- year-old groups, respectively. Among adolescents (participants 11- to 17- years old), most of the energy intake from liquids came from carbonated beverages, which accounted for an average of 207 kcal/day in this group (42% of their total energy intake from liquids). Health professionals should be attentive to the excessive consumption of sugar sweetened beverages in children and adolescents. The movement toward healthier dietary patterns at the individual and population levels may help to improve programs for preventing overweight and obesity in children and adolescents. Conclusion From childhood to adolescence the daily volume of liquid ingested increased reaching a total of 2.0 liters on average. Of this volume, the daily volume of milk ingested decreased while the carbonated drinks, sweetened, nectars and artificial beverages increased significantly. The proportion of water remained constant in about 1/3 of the total volume. From 3 to 17 years of age the energy intake from carbonated beverages increased by about 20%. The carbonated drinks on average corresponded to a tenth of the daily requirements of energy of adolescents. PMID:23167254

Ground water contamination by crude oil near Bemidji, Minnesota

USGS Publications Warehouse

Delin, G.N.; Essaid, H.I.; Cozzarelli, I.M.; Lahvis, M.H.; Bekins, B.A.

1998-01-01

Ground-water contamination by crude oil, and other petroleum-based liquids, is a widespread problem. An average of 83 crude-oil spills occurred per year during 1994-96 in the United States, each spilling about 50,000 barrels of crude oil (U.S. Office of Pipeline Safety, electronic commun., 1997). An understanding of the fate of organic contaminants (such as oil and gasoline) in the subsurface is needed to design innovative and cost-effective remedial solutions at contaminated sites.

Permeability of volcanic rocks to gas and water

NASA Astrophysics Data System (ADS)

Heap, M. J.; Reuschlé, T.; Farquharson, J. I.; Baud, P.

2018-04-01

The phase (gas or liquid) of the fluids within a porous volcanic system varies in both time and space. Laboratory experiments have shown that gas and water permeabilities can differ for the same rock sample, but experiments are biased towards rocks that contain minerals that are expected react with the pore fluid (such as the reaction between liquid water and clay). We present here the first study that systematically compares the gas and water permeability of volcanic rocks. Our data show that permeabilities to argon gas and deionised water can differ by a factor between two and five in two volcanic rocks (basalt and andesite) over a confining pressure range from 2 to 50 MPa. We suggest here that the microstructural elements that offer the shortest route through the sample-estimated to have an average radius 0.1-0.5 μm using the Klinkenberg slip factor-are accessible to gas, but restricted or inaccessible to water. We speculate that water adsorption on the surface of these thin microstructural elements, assumed here to be tortuous/rough microcracks, reduces their effective radius and/or prevents access. These data have important implications for fluid flow and therefore the distribution and build-up of pore pressure within volcanic systems.

Partitioning of Aromatic Constituents into Water from Jet Fuels.

PubMed

Tien, Chien-Jung; Shu, Youn-Yuen; Ciou, Shih-Rong; Chen, Colin S

2015-08-01

A comprehensive study of the most commonly used jet fuels (i.e., Jet A-1 and JP-8) was performed to properly assess potential contamination of the subsurface environment from a leaking underground storage tank occurred in an airport. The objectives of this study were to evaluate the concentration ranges of the major components in the water-soluble fraction of jet fuels and to estimate the jet fuel-water partition coefficients (K fw) for target compounds using partitioning experiments and a polyparameter linear free-energy relationship (PP-LFER) approach. The average molecular weight of Jet A-1 and JP-8 was estimated to be 161 and 147 g/mole, respectively. The density of Jet A-1 and JP-8 was measured to be 786 and 780 g/L, respectively. The distribution of nonpolar target compounds between the fuel and water phases was described using a two-phase liquid-liquid equilibrium model. Models were derived using Raoult's law convention for the activity coefficients and the liquid solubility. The observed inverse, log-log linear dependence of the K fw values on the aqueous solubility were well predicted by assuming jet fuel to be an ideal solvent mixture. The experimental partition coefficients were generally well reproduced by PP-LFER.

Temperature dependence of the evaporation lengthscale for water confined between two hydrophobic plates.

PubMed

Djikaev, Yuri S; Ruckenstein, Eli

2015-07-01

Liquid water in a hydrophobic confinement is the object of high interest in physicochemical sciences. Confined between two macroscopic hydrophobic surfaces, liquid water transforms into vapor if the distance between surfaces is smaller than a critical separation, referred to as the evaporation lengthscale. To investigate the temperature dependence of the evaporation lengthscale of water confined between two hydrophobic parallel plates, we use the combination of the density functional theory (DFT) with the probabilistic hydrogen bond (PHB) model for water-water hydrogen bonding. The PHB model provides an analytic expression for the average number of hydrogen bonds per water molecule as a function of its distance to a hydrophobic surface and its curvature. Knowing this expression, one can implement the effect of hydrogen bonding between water molecules on their interaction with the hydrophobe into DFT, which is then employed to determine the distribution of water molecules between two macroscopic hydrophobic plates at various interplate distances and various temperatures. For water confined between hydrophobic plates, our results suggest the evaporation lengthscale to be of the order of several nanometers and a linearly increasing function of temperature from T=293 K to T=333 K, qualitatively consistent with previous results. Copyright © 2015 Elsevier Inc. All rights reserved.

Titan's Primordial Soup: Formation of Amino Acids via Low Temperature Hydrolysis of Tholins

NASA Astrophysics Data System (ADS)

Neish, Catherine; Somogyi, Á.; Smith, M. A.

2009-09-01

Titan, Saturn's largest moon, is a world rich in the "stuff of life". Reactions occurring in its dense nitrogen-methane atmosphere produce a wide variety of organic molecules, which subsequently rain down onto its surface. Water - thought to be another important ingredient for life - is likewise abundant on Titan. Theoretical models of Titan's formation predict that its interior consists of an ice I layer several tens of kilometers thick overlying a liquid ammonia-rich water layer several hundred kilometers thick (Tobie et al., 2005). Though its surface temperature of 94K dictates that Titan is on average too cold for liquid water to persist at its surface, melting caused by impacts and/or cryovolcanism may lead to its episodic availability. Impact melt pools on Titan would likely remain liquid for 102 - 104 years before freezing (O'Brien et al., 2005). The combination of complex organic molecules and transient locales of liquid water make Titan an interesting natural laboratory for studying prebiotic chemistry. In this work, we sought to determine what biomolecules might be formed under conditions analogous to those found in transient liquid water environments on Titan. We hydrolyzed Titan organic haze analogues, or "tholins", in 13 wt. % ammonia-water at 253K and 293K for a year. Using a combination of high resolution mass spectroscopy and tandem mass spectroscopy fragmentation techniques, four amino acids were identified in the hydrolyzed tholin sample. These four species have been assigned as the amino acids asparagine, aspartic acid, glutamine, and glutamic acid. This represents the first detection of biologically relevant molecules created under conditions similar to those found in impact melt pools and cryolavas on Titan. Future missions to Titan should therefore carry instrumentation capable of detecting amino acids and other prebiotically relevant molecules on its surface This work was supported by the NASA Exobiology Program.

Effects of adding liquid DL-methionine hydroxy analogue-free acid to drinking water on growth performance and small intestinal morphology of nursery pigs.

PubMed

Kaewtapee, C; Krutthai, N; Poosuwan, K; Poeikhampha, T; Koonawootrittriron, S; Bunchasak, C

2010-06-01

This study was conducted to evaluate the effect of adding liquid DL-methionine hydroxy analogue free acid (LMA) to drinking water on growth performance, small intestinal morphology and volatile fatty acids in the caecum of nursery pigs. Twenty-four crossbred pigs (Large White x Landrace, BW approximately 18 kg) were divided into three groups with four replications of two piglets each. The piglets received drinking water without (control), with 0.05 or 0.10% LMA. The results indicated that adding LMA at 0.10% to drinking water significantly increased their weight gain, average daily feed intake (p < 0.05) and tended to improve the feed conversion ratio. Adding LMA to drinking water significantly increased their water intake and significantly reduced the pH of drinking water (p < 0.01), thus total plate count (p < 0.01) and Escherichia coli in drinking water was reduced (p < 0.05), while the total number of bacteria in the caecum was not significantly affected. Liquid DL-methionine hydroxy analogue free acid supplementation in drinking water tended to decrease pH in the stomach, duodenum, jejunum, colon and rectum. Furthermore, adding LMA at 0.10% significantly increased villous height in the duodenum, jejunum and ileum (p < 0.05), and the villous height:crypt depth ratio in the jejunum and ileum (p < 0.01) was higher, whereas acetic acid concentration in the caecum was significantly lower than in the control group. It could be concluded that adding LMA to drinking water improved growth performance of the nursery pigs because of high water quality and high nutrient utilization caused by an improvement of small intestinal morphology (not from nutritional effect of methionine source).

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.

Statistical characteristics of cloud variability. Part 1: Retrieved cloud liquid water path at three ARM sites

NASA Astrophysics Data System (ADS)

Huang, Dong; Campos, Edwin; Liu, Yangang

2014-09-01

Statistical characteristics of cloud variability are examined for their dependence on averaging scales and best representation of probability density function with the decade-long retrieval products of cloud liquid water path (LWP) from the tropical western Pacific (TWP), Southern Great Plains (SGP), and North Slope of Alaska (NSA) sites of the Department of Energy's Atmospheric Radiation Measurement Program. The statistical moments of LWP show some seasonal variation at the SGP and NSA sites but not much at the TWP site. It is found that the standard deviation, relative dispersion (the ratio of the standard deviation to the mean), and skewness all quickly increase with the averaging window size when the window size is small and become more or less flat when the window size exceeds 12 h. On average, the cloud LWP at the TWP site has the largest values of standard deviation, relative dispersion, and skewness, whereas the NSA site exhibits the least. Correlation analysis shows that there is a positive correlation between the mean LWP and the standard deviation. The skewness is found to be closely related to the relative dispersion with a correlation coefficient of 0.6. The comparison further shows that the lognormal, Weibull, and gamma distributions reasonably explain the observed relationship between skewness and relative dispersion over a wide range of scales.

Statistical characteristics of cloud variability. Part 1: Retrieved cloud liquid water path at three ARM sites: Observed cloud variability at ARM sites

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

Huang, Dong; Campos, Edwin; Liu, Yangang

2014-09-17

Statistical characteristics of cloud variability are examined for their dependence on averaging scales and best representation of probability density function with the decade-long retrieval products of cloud liquid water path (LWP) from the tropical western Pacific (TWP), Southern Great Plains (SGP), and North Slope of Alaska (NSA) sites of the Department of Energy’s Atmospheric Radiation Measurement Program. The statistical moments of LWP show some seasonal variation at the SGP and NSA sites but not much at the TWP site. It is found that the standard deviation, relative dispersion (the ratio of the standard deviation to the mean), and skewness allmore » quickly increase with the averaging window size when the window size is small and become more or less flat when the window size exceeds 12 h. On average, the cloud LWP at the TWP site has the largest values of standard deviation, relative dispersion, and skewness, whereas the NSA site exhibits the least. Correlation analysis shows that there is a positive correlation between the mean LWP and the standard deviation. The skewness is found to be closely related to the relative dispersion with a correlation coefficient of 0.6. The comparison further shows that the log normal, Weibull, and gamma distributions reasonably explain the observed relationship between skewness and relative dispersion over a wide range of scales.« less

Particle size and interfacial effects on heat transfer characteristics of water and {alpha}-SiC nanofluids.

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

Timofeeva, E.; Smith, D. S.; Yu, W.

2010-01-01

The effect of average particle sizes on basic macroscopic properties and heat transfer performance of {alpha}-SiC/water nanofluids was investigated. The average particle sizes, calculated from the specific surface area of nanoparticles, were varied from 16 to 90 nm. Nanofluids with larger particles of the same material and volume concentration provide higher thermal conductivity and lower viscosity increases than those with smaller particles because of the smaller solid/liquid interfacial area of larger particles. It was also demonstrated that the viscosity of water-based nanofluids can be significantly decreased by pH of the suspension independently from the thermal conductivity. Heat transfer coefficients weremore » measured and compared to the performance of base fluids as well as to nanofluids reported in the literature. Criteria for evaluation of the heat transfer performance of nanofluids are discussed and optimum directions in nanofluid development are suggested.« less

Brochosomal coats turn leafhopper (Insecta, Hemiptera, Cicadellidae) integument to superhydrophobic state

PubMed Central

Rakitov, Roman; Gorb, Stanislav N.

2013-01-01

Leafhoppers (Insecta, Hemiptera, Cicadellidae) actively coat their integuments with brochosomes, hollow proteinaceous spheres of usually 200–700 nm in diameter, with honeycombed walls. The coats have been previously suggested to act as a water-repellent and anti-adhesive protective barrier against the insect's own exudates. We estimated their wettability through contact angle (CA) measurements of water, diiodomethane, ethylene glycol and ethanol on detached wings of the leafhoppers Alnetoidia alneti, Athysanus argentarius and Cicadella viridis. Intact brochosome-coated integuments were repellent to all test liquids, except ethanol, and exhibited superhydrophobicity, with the average water CAs of 165–172°, and the apparent surface free energy (SFE) estimates not exceeding 0.74 mN m−1. By contrast, the integuments from which brochosomes were removed with a peeling technique using fluid polyvinylsiloxane displayed water CAs of only 103–129° and SFEs above 20 mN m−1. Observations of water-sprayed wings in a cryo-scanning electron microscope confirmed that brochosomal coats prevented water from contacting the integument. Their superhydrophobic properties appear to result from fractal roughness, which dramatically reduces the area of contact with high-surface-tension liquids, including, presumably, leafhopper exudates. PMID:23235705

Modulation of the aggregation properties of sodium deoxycholate in presence of hydrophilic imidazolium based ionic liquid: water dynamics study to probe the structural alteration of the aggregates.

PubMed

Kundu, Niloy; Banik, Debasis; Roy, Arpita; Kuchlyan, Jagannath; Sarkar, Nilmoni

2015-10-14

In this article, we have investigated the effect of a hydrophilic ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim]-BF4), on the aggregation properties of a biological surfactant, sodium deoxycholate (NaDC), in water. In solution, unlike conventional surfactants it shows stepwise aggregation and the effect of the conventional ionic liquid on the aggregation properties is rather interesting. We have observed concentration dependent dual role of the ionic liquid; at their low concentration, the aggregated structure of NaDC reorganizes itself into an elongated rod like structure. However, the aggregated network is disintegrated into small aggregates upon further addition of ionic liquid. TEM (Transmission Electron Microscopy), SEM (Scanning Electron Microscopy) and FLIM (Fluorescence Lifetime Imaging Microscopy) images also confirmed the structural alteration of NaDC upon varying the concentration of the ionic liquid. The proton NMR data indicate that hydrophobic as well as electrostatic interaction is solely responsible for such structural adaptation of NaDC in the presence of an ionic liquid. The host-guest interaction inside the aggregates is monitored using Coumarin-153 (C-153) and the location of C-153 is probed by varying the excitation wavelength from 375 nm to 440 nm and the two binding sites of the aggregates are affected in a different fashion in the presence of ionic liquid. Excitation in the blue region selects the fluorophores which preferably bind to the buried region of the aggregates, whereas 440 nm excitation corresponds to the guest molecules which are exposed to the solvent molecules. The average solvation time of C-153 is increased in the presence of 1.68 wt% [bmim]-BF4 at λexc = 440 nm i.e. the probe molecules relocate themselves to a more restricted region. However, the average solvation time became 2.6 times faster in the presence of 11.2 wt% [bmim]-BF4, which corresponds to a more polar and exposed region. The time resolved anisotropy measurements and polarity determined by pyrene also supported our results in addition to solvation dynamics measurements. In summary, ionic liquids can modulate the host-guest interaction of bile salt aggregates, which can be used as nanocarriers for drug delivery.

Average properties of bidisperse bubbly flows

NASA Astrophysics Data System (ADS)

Serrano-García, J. C.; Mendez-Díaz, S.; Zenit, R.

2018-03-01

Experiments were performed in a vertical channel to study the properties of a bubbly flow composed of two distinct bubble size species. Bubbles were produced using a capillary bank with tubes with two distinct inner diameters; the flow through each capillary size was controlled such that the amount of large or small bubbles could be controlled. Using water and water-glycerin mixtures, a wide range of Reynolds and Weber number ranges were investigated. The gas volume fraction ranged between 0.5% and 6%. The measurements of the mean bubble velocity of each species and the liquid velocity variance were obtained and contrasted with the monodisperse flows with equivalent gas volume fractions. We found that the bidispersity can induce a reduction of the mean bubble velocity of the large species; for the small size species, the bubble velocity can be increased, decreased, or remain unaffected depending of the flow conditions. The liquid velocity variance of the bidisperse flows is, in general, bound by the values of the small and large monodisperse values; interestingly, in some cases, the liquid velocity fluctuations can be larger than either monodisperse case. A simple model for the liquid agitation for bidisperse flows is proposed, with good agreement with the experimental measurements.

Effects of dry brining, liquid smoking and high-pressure treatment on the physical properties of aquacultured King salmon (Oncorhynchus tshawytscha) during refrigerated storage.

PubMed

Kong, Kelvin Jia Wey; Alçiçek, Zayde; Balaban, Murat O

2015-03-15

Aquacultured King salmon (Oncorhynchus tshawytscha) pieces were dry brined with a salt/brown sugar mix, dipped in liquid smoke for 3 min, vacuum packed, high hydrostatic pressure (HHP) treated at 600 or 200 MPa for 5 min and stored at 4 °C for up to 40 days. The surface redness (average a*) of the samples increased after dry brining, then decreased after liquid smoke treatment. HHP did not change the outside color of liquid-smoked samples. However, the inside color changed depending on pressure. HHP-treated control samples without dry brining and liquid smoking changed to a pale pink color. HHP at 600 MPa resulted in a significant increase in hardness. Compared with fresh samples, dry-brined samples had reduced water activity, while samples dipped in liquid smoke had lower pH values. Dry brining and liquid smoking protect the outside color of salmon against changes caused by HHP. The increase in hardness may counteract the softening of the smoked salmon tissue over time. © 2014 Society of Chemical Industry.

Wind tunnel investigations on the retention of carboxylic acids during riming

NASA Astrophysics Data System (ADS)

Jost, Alexander; Szakáll, Miklós; Diehl, Karoline; Mitra, Subir K.; Borrmann, Stephan

2015-04-01

In mid-latitudes, precipitation is mainly initiated via the ice phase in mixed phase clouds. In such clouds the ice particles grow to precipitation sizes at the expense of liquid drops through riming which means that supercooled droplets collide with ice particles and subsequently freeze. Water-soluble trace substances present in the liquid phase might remain only fractionally in the ice phase after freezing. This fractionation is called retention and is an important ratio which quantifies the partitioning of atmospheric trace substances between the phases. Laboratory experiments were carried out at the Mainz vertical wind tunnel to determine the retention of lower mono- and di-carboxylic acids during riming. Due to their low molecular weight and their polarity these acids are water-soluble. In the atmosphere formic acid and acetic acid are the most abundant mono-carboxylic acids in the gas and aqueous phase, thus, they represent the major fraction of carboxylic acids in cloud water. Oxalic and malonic acid are common coatings on aerosol particles because of their relatively low saturation vapor pressure. These di-carboxylic acids might therefore promote the aerosol particles to act as cloud condensation nuclei and additionally contribute to the aqueous phase chemistry in cloud droplets. The conditions during the riming experiments in the wind tunnel were similar to those in atmospheric mixed phase clouds, i.e. temperatures from -18°C to -6 °C, liquid water contents between 0.5 and 1.5 g/m3, and liquid drop radii between 10 and 20 μm. The liquid phase concentrations ranged from 3 to 5 mg/l (4.1 < pH < 4.5). As rime collectors captively floating ice particles and quasi-floating snowflakes with diameters between 0.6 and 1.5 cm were used. The wind speed in the vertical wind tunnel was very close to the terminal velocities of the rime collectors, thus, the ventilation during riming was in the same order of magnitude as under atmospheric riming conditions. After riming the collectors were removed from the wind tunnel, their melt water was analyzed by ion chromatography and the retention coefficients, i.e. the fractions of the species which remained in the ice phase were determined. Average retention coefficients of formic acid and acetic acid were 0.73 ± 0.07 and 0.62 ± 0.12, respectively; both oxalic and malonic acids had average retention coefficients of 0.98 ± 0.04. These variations can be explained by the fact that retention depends on the one hand on the dissociation state of the substance together with its solubility (described by the effective Henry's law constant) and on the other hand on the latent heat removal from the collector to the environment. This is affected by ventilation, shape of the rime collector, liquid water content, and droplet size.

A LES-based Eulerian-Lagrangian approach to predict the dynamics of bubble plumes

NASA Astrophysics Data System (ADS)

Fraga, Bruño; Stoesser, Thorsten; Lai, Chris C. K.; Socolofsky, Scott A.

2016-01-01

An approach for Eulerian-Lagrangian large-eddy simulation of bubble plume dynamics is presented and its performance evaluated. The main numerical novelties consist in defining the gas-liquid coupling based on the bubble size to mesh resolution ratio (Dp/Δx) and the interpolation between Eulerian and Lagrangian frameworks through the use of delta functions. The model's performance is thoroughly validated for a bubble plume in a cubic tank in initially quiescent water using experimental data obtained from high-resolution ADV and PIV measurements. The predicted time-averaged velocities and second-order statistics show good agreement with the measurements, including the reproduction of the anisotropic nature of the plume's turbulence. Further, the predicted Eulerian and Lagrangian velocity fields, second-order turbulence statistics and interfacial gas-liquid forces are quantified and discussed as well as the visualization of the time-averaged primary and secondary flow structure in the tank.

Turbulence measurements using the laser Doppler velocimeter

NASA Technical Reports Server (NTRS)

Dunning, J. W., Jr.; Berman, N. S.

1971-01-01

The photomultiplier signal representing the axial velocity of water within a glass pipe is examined. It is shown that with proper analysis of the photomultiplier signal, the turbulent information that can be obtained in liquid flows is equivalent to recent hot film studies. In shear flows the signal from the laser Doppler velocimeter contains additional information which may be related to the average shear.

Paired-ion chromatography and high performance liquid chromatography of labetalol in feeds.

PubMed

Townley, E R; Ross, B

1980-11-01

A high performance liquid chromatographic (HPLC) method using reverse phase paired-ion chromatography and ultraviolet detection at 280 nm has been developed to determine labetalol, an alpha and beta adrenoceptor blocking agent, in Purina No. 5001 rodent chow. The method is simple and rapid, and demonstrates a separation technique applicable to other acidic and basic drugs. It requires only extraction of the drug with methanol--water--acetic acid (66 + 33 + 1) and separation of insoluble material by filtration before HPLC. Labetalol, is chromatographically separated from soluble feed components by means of a microBondapak C18 column and methanol--water--acetic acid (66 + 33 + 1) mobile phase, 0.005M with respect to sodium dioctylsulfosuccinate paired-ion reagent. Average recovery is 98.7% with a relative standard deviation of +/- 2.3% for the equipment described.

Magnetic Resonance Imaging Quantification of Fasted State Colonic Liquid Pockets in Healthy Humans.

PubMed

Murray, Kathryn; Hoad, Caroline L; Mudie, Deanna M; Wright, Jeff; Heissam, Khaled; Abrehart, Nichola; Pritchard, Susan E; Al Atwah, Salem; Gowland, Penny A; Garnett, Martin C; Amidon, Gregory E; Spiller, Robin C; Amidon, Gordon L; Marciani, Luca

2017-08-07

The rate and extent of drug dissolution and absorption from solid oral dosage forms is highly dependent on the volume of liquid in the gastrointestinal tract (GIT). However, little is known about the time course of GIT liquid volumes after drinking a glass of water (8 oz), particularly in the colon, which is a targeted site for both locally and systemically acting drug products. Previous magnetic resonance imaging (MRI) studies offered novel insights on GIT liquid distribution in fasted humans in the stomach and small intestine, and showed that freely mobile liquid in the intestine collects in fairly distinct regions or "pockets". Based on this previous pilot data, we hypothesized that (1) it is possible to quantify the time course of the volume and number of liquid pockets in the undisturbed colon of fasted healthy humans following ingestion of 240 mL, using noninvasive MRI methods; (2) the amount of freely mobile water in the fasted human colon is of the order of only a few milliliters. Twelve healthy volunteers fasted overnight and underwent fasted abdominal MRI scans before drinking 240 mL (∼8 fluid ounces) of water. After ingesting the water they were scanned at frequent intervals for 2 h. The images were processed to quantify freely mobile water in the total and regional colon: ascending, transverse, and descending. The fasted colon contained (mean ± SEM) 11 ± 5 pockets of resting liquid with a total volume of 2 ± 1 mL (average). The colonic fluid peaked at 7 ± 4 mL 30 min after the water drink. This peak fluid was distributed in 17 ± 7 separate liquid pockets in the colon. The regional analysis showed that pockets of free fluid were found primarily in the ascending colon. The interindividual variability was very high; the subjects showed a range of number of colonic fluid pockets from 0 to 89 and total colonic freely mobile fluid volume from 0 to 49 mL. This is the first study measuring the time course of the number, regional location, and volume of pockets of freely mobile liquid in the undisturbed colon of fasted humans after ingestion of a glass of water. Novel insights into the colonic fluid environment will be particularly relevant to improve our understanding and design of the in vivo performance of controlled release formulations targeted to the colon. The in vivo quantitative information presented here can be input into physiologically based mechanistic models of dissolution and absorption, and can be used in the design and set up of novel in vitro performance tools predictive of the in vivo environment.

Quantitative analysis of aldehydes in canned vegetables using static headspace-gas chromatography-mass spectrometry.

PubMed

Serrano, María; Gallego, Mercedes; Silva, Manuel

2017-11-17

Volatile aldehydes appear in canned vegetables as constituents and some of them can also be present as disinfection by-products (DBPs) because of the contact between vegetables and treated water. This paper describes two static headspace-gas chromatography-mass spectrometry (SHS-GC-MS) methods to determine 15 aldehydes in both the solid and the liquid phases of canned vegetables. The treatment for both phases of samples was carried out simultaneously into an SHS unit, including the leaching of the aldehydes (from the vegetable), their derivatization and volatilization of the oximes formed. Detection limits were obtained within the range of 15-400μg/kg and 3-40μg/L for aldehydes in the solid and the liquid phases of the food, respectively. The relative standard deviation was lower than 7% -for the whole array of the target analytes-, the trueness evaluated by recovery experiments provided %recoveries between 89 and 99% and short- and long-term stability studies indicated there was no significant variation in relative peak areas of all aldehydes in both phases of canned vegetables after their storing at 4°C for two weeks. The study of the origin of the 15 aldehydes detected between both phases of canned vegetables showed that: i) the presence of 13 aldehydes -at average concentrations of 2.2-39μg/kg and 0.25-71μg/L for the solid and the liquid phases, respectively- is because they are natural constituents of vegetables; and ii) the presence of glyoxal and methylglyoxal -which are mainly found in the liquid phase (average values, 1.4-4.1μg/L)- is ascribed to the use of treated water, thereby being DBPs. Copyright © 2017 Elsevier B.V. All rights reserved.

40 CFR Table 2 to Subpart Jjjjj of... - Operating Limits

Code of Federal Regulations, 2010 CFR

2010-07-01

.... Kiln equipped with a WS a. Maintain the average scrubber pressure drop for each 3-hour block period at... average scrubber liquid pH for each 3-hour block period at or above the average scrubber liquid pH established during the performance test; and c. Maintain the average scrubber liquid flow rate for each 3-hour...

40 CFR Table 2 to Subpart Jjjjj of... - Operating Limits

Code of Federal Regulations, 2011 CFR

2011-07-01

.... Kiln equipped with a WS a. Maintain the average scrubber pressure drop for each 3-hour block period at... average scrubber liquid pH for each 3-hour block period at or above the average scrubber liquid pH established during the performance test; and c. Maintain the average scrubber liquid flow rate for each 3-hour...

Cloud Droplet Size and Liquid Water Path Retrievals From Zenith Radiance Measurements: Examples From the Atmospheric Radiation Measurement Program and the Aerosol Robotic Network

NASA Technical Reports Server (NTRS)

Chiu, J. C.; Marshak, A.; Huang, C.-H.; Varnai, T.; Hogan, R. J.; Giles, D. M.; Holben, B. N.; Knyazikhin, Y.; O'Connor, E. J.; Wiscombe, W. J.

2012-01-01

The ground-based Atmospheric Radiation Measurement Program (ARM) and NASA Aerosol Robotic Network (AERONET) routinely monitor clouds using zenith radiances at visible and near-infrared wavelengths. Using the transmittance calculated from such measurements, we have developed a new retrieval method for cloud effective droplet size and conducted extensive tests for non-precipitating liquid water clouds. The underlying principle is to combine a water-absorbing wavelength (i.e. 1640 nm) with a nonwater-absorbing wavelength for acquiring information on cloud droplet size and optical depth. For simulated stratocumulus clouds with liquid water path less than 300 g/sq m and horizontal resolution of 201m, the retrieval method underestimates the mean effective radius by 0.8 m, with a root-mean-squared error of 1.7 m and a relative deviation of 13 %. For actual observations with a liquid water path less than 450 gm.2 at the ARM Oklahoma site during 2007-2008, our 1.5 min-averaged retrievals are generally larger by around 1 m than those from combined ground-based cloud radar and microwave radiometer at a 5min temporal resolution. We also compared our retrievals to those from combined shortwave flux and microwave observations for relatively homogeneous clouds, showing that the bias between these two retrieval sets is negligible, but the error of 2.6 m and the relative deviation of 22% are larger than those found in our simulation case. Finally, the transmittance-based cloud effective droplet radii agree to better than 11% with satellite observations and have a negative bias of 1 m. Overall, the retrieval method provides reasonable cloud effective radius estimates, which can enhance the cloud products of both ARM and AERONET.

Determination of patulin in apple juice by liquid chromatography: collaborative study.

PubMed

Brause, A R; Trucksess, M W; Thomas, F S; Page, S W

1996-01-01

An AOAC International-International Union of Pure and Applied Chemistry-International Fruit Juice Union (AOAC-IUPAC-IFJU) collaborative study was conducted to evaluate a liquid chromatographic (LC) procedure for determination of patulin in apple juice. Patulin is a mold metabolite found naturally in rotting apples. Patulin is extracted with ethyl acetate, treated with sodium carbonate solution, and determined by reversed-phase LC with UV detection at 254 or 276 nm. Water, water-tetrahydrofuran, or water-acetonitrile was used as mobile phase. Levels determined in spiked test samples were 20, 50, 100, and 200 micrograms/L. A test sample naturally contaminated at 31 micrograms/L was also included. Twenty-two collaborators in 10 countries analyzed 12 test samples of apple juice. Recoveries averaged 96%, with a range of 91-108%. Repeatability relative standard deviations (RSDr) ranged from 10.9 to 53.8%. The reproducibility relative standard deviation (RSDR) ranged from 15.1 to 68.8%. The LC method for determination of patulin in apple juice has been adopted first action by AOAC INTERNATIONAL.

Estimation of interfacial area in a packed cross-flow cascade with distillation of ethanol-water, methanol-water, and hexane-heptane

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

Velaga, A.

1986-01-01

Packed cross-flow internals consisting of four and ten stages including the samplers for liquid and vapor were fabricated to fit into the existing distillation column. Experiments were conducted using methanol-water, ethanol-water and hexane-heptane binary mixtures. The experimental data were collected for compositions of inlet and exist streams of cross-flow stages. The overall gas phase height transfer units (H/sub og/) were estimated using the experimental data. H/sub og/ values were compared to those of counter current conditions. The individual mass transfer coefficients in the liquid and vapor phases were estimated using the collected experimental data for degree of separation, flow ratesmore » and physical properties of the binary system used. The physical properties were estimated at an average temperature of the specific cross-flow stage. The mass transfer coefficients were evaluated using three different correlations proposed by Shulman. Onda and Hayashi respectively. The interfacial areas were estimated using the evaluated mass transfer coefficients and the experimental data at each stage of the column for different runs and compared.« less

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. Combining this cloud transmittance with a clear sky model would provide ocean surface insulation estimates from SMMR data alone.

Formation of liquid water at low temperatures via the deliquescence of calcium chloride: Implications for Antarctica and Mars

NASA Astrophysics Data System (ADS)

Gough, R. V.; Chevrier, V. F.; Tolbert, M. A.

2016-10-01

There is significant interest in the potential existence of even small amounts of liquid brine on current Mars. It has been proposed that aqueous solutions could form on Mars via the deliquescence of hygroscopic salts in contact with atmospheric water vapor, and these hygroscopic salts have recently been detected in recurring slope linae (RSL). While past work has largely focused on perchlorate species, another Mars-relevant salt that has a low eutectic temperature and may be deliquescent is calcium chloride, CaCl2. This salt may be linked to RSL formation on Mars, and deliquescence of CaCl2 is also known to be responsible for the only terrestrial RSL analog features known thus far: water tracks in the McMurdo Dry Valleys. Here we use Raman microscopy to monitor the low-temperature (223-273 K) deliquescence (solid to aqueous phase transition) and efflorescence (aqueous to solid phase transition) of two hydration states of CaCl2, the dihydrate and the hexahydrate. We find the deliquescence relative humidity (DRH) decreases with decreasing hydration state and with increasing temperature. Average DRH values over the temperature range studied are 15.8±3.5% RH for the dihydrate and 63.3±12.5% RH for the hexahydrate, making this salt at least as deliquescent as many perchlorate salts. A remarkable property of CaCl2 is its ability to persist as metastable, supersaturated brine. Once an aqueous solution was formed, efflorescence (recrystallization) of the liquid did not occur until single-digit RH values were reached (3.9±2.4% RH on average). We show that temperature and relative humidity conditions in the martian subsurface are sufficient to allow deliquescence of CaCl2, and the resulting brines may persist for over half of a martian sol. Therefore, this salt could play a role in RSL formation, the martian water cycle, and have implications for the potential habitability of Mars.

Super-Maxwellian helium evaporation from pure and salty water

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

Hahn, Christine; Kann, Zachary R.; Faust, Jennifer A.

2016-01-28

Helium atoms evaporate from pure water and salty solutions in super-Maxwellian speed distributions, as observed experimentally and modeled theoretically. The experiments are performed by monitoring the velocities of dissolved He atoms that evaporate from microjets of pure water at 252 K and 4–8.5 molal LiCl and LiBr at 232–252 K. The average He atom energies exceed the flux-weighted Maxwell-Boltzmann average of 2RT by 30% for pure water and 70% for 8.5m LiBr. Classical molecular dynamics simulations closely reproduce the observed speed distributions and provide microscopic insight into the forces that eject the He atoms from solution. Comparisons of the densitymore » profile and He kinetic energies across the water-vacuum interface indicate that the He atoms are accelerated by He–water collisions within the top 1-2 layers of the liquid. We also find that the average He atom kinetic energy scales with the free energy of solvation of this sparingly soluble gas. This free-energy difference reflects the steeply decreasing potential of mean force on the He atoms in the interfacial region, whose gradient is the repulsive force that tends to expel the atoms. The accompanying sharp decrease in water density suppresses the He–water collisions that would otherwise maintain a Maxwell-Boltzmann distribution, allowing the He atom to escape at high energies. Helium is especially affected by this reduction in collisions because its weak interactions make energy transfer inefficient.« less

Water-induced polaron formation at the pentacene surface: Quantum mechanical molecular mechanics simulations

NASA Astrophysics Data System (ADS)

Cramer, Tobias; Steinbrecher, Thomas; Koslowski, Thorsten; Case, David A.; Biscarini, Fabio; Zerbetto, Francesco

2009-04-01

Water is an omnipresent polar impurity that is expected to be the origin of many electric degradation phenomena observed in organic semiconductors. Here, we describe a microscopic model for polaron formation in the outermost layer of a pentacene crystal due to the polarization of a nearby water layer. The efficient coupling of a classical force field that describes the liquid with a tight-binding model that represents the π system of the organic layer permits the calculation of nanosecond length trajectories. The model predicts that the reorientation of water dipoles stabilizes positive charge carriers on average by 0.6 eV and thus leads to a polaron trap state at the liquid interface. Thermal fluctuations of the water molecules provoke two-dimensional diffusive hopping of the charge carrier parallel to the interface with mobilities of up to 0.6cm2s-1V-1 and lead to an amorphous broadening of the valence-band tail. As a consequence, water-filled nanocavities act as trapping sites in pentacene transistors. Instead, a complete wetting of the organic film is expected to result in fast thermally activated hopping transport. Polaron trapping is thus not expected to be a limiting factor for transistor-based sensors that operate under water.

Dramatically different kinetics and mechanism at solid/liquid and solid/gas interfaces for catalytic isopropanol oxidation over size-controlled platinum nanoparticles.

PubMed

Wang, Hailiang; Sapi, Andras; Thompson, Christopher M; Liu, Fudong; Zherebetskyy, Danylo; Krier, James M; Carl, Lindsay M; Cai, Xiaojun; Wang, Lin-Wang; Somorjai, Gabor A

2014-07-23

We synthesize platinum nanoparticles with controlled average sizes of 2, 4, 6, and 8 nm and use them as model catalysts to study isopropanol oxidation to acetone in both the liquid and gas phases at 60 °C. The reaction at the solid/liquid interface is 2 orders of magnitude slower than that at the solid/gas interface, while catalytic activity increases with the size of platinum nanoparticles for both the liquid-phase and gas-phase reactions. The activation energy of the gas-phase reaction decreases with the platinum nanoparticle size and is in general much higher than that of the liquid-phase reaction which is largely insensitive to the size of catalyst nanoparticles. Water substantially promotes isopropanol oxidation in the liquid phase. However, it inhibits the reaction in the gas phase. The kinetic results suggest different mechanisms between the liquid-phase and gas-phase reactions, correlating well with different orientations of IPA species at the solid/liquid interface vs the solid/gas interface as probed by sum frequency generation vibrational spectroscopy under reaction conditions and simulated by computational calculations.

Stochastical analysis of surfactant-enhanced remediation of denser-than-water nonaqueous phase liquid (DNAPL)-contaminated soils.

PubMed

Zhang, Renduo; Wood, A Lynn; Enfield, Carl G; Jeong, Seung-Woo

2003-01-01

Stochastical analysis was performed to assess the effect of soil spatial variability and heterogeneity on the recovery of denser-than-water nonaqueous phase liquids (DNAPL) during the process of surfactant-enhanced remediation. UTCHEM, a three-dimensional, multicomponent, multiphase, compositional model, was used to simulate water flow and chemical transport processes in heterogeneous soils. Soil spatial variability and heterogeneity were accounted for by considering the soil permeability as a spatial random variable and a geostatistical method was used to generate random distributions of the permeability. The randomly generated permeability fields were incorporated into UTCHEM to simulate DNAPL transport in heterogeneous media and stochastical analysis was conducted based on the simulated results. From the analysis, an exponential relationship between average DNAPL recovery and soil heterogeneity (defined as the standard deviation of log of permeability) was established with a coefficient of determination (r2) of 0.991, which indicated that DNAPL recovery decreased exponentially with increasing soil heterogeneity. Temporal and spatial distributions of relative saturations in the water phase, DNAPL, and microemulsion in heterogeneous soils were compared with those in homogeneous soils and related to soil heterogeneity. Cleanup time and uncertainty to determine DNAPL distributions in heterogeneous soils were also quantified. The study would provide useful information to design strategies for the characterization and remediation of nonaqueous phase liquid-contaminated soils with spatial variability and heterogeneity.

A New Approach for Checking and Complementing CALIPSO Lidar Calibration

NASA Technical Reports Server (NTRS)

Josset, Damien B.; Vaughan, Mark A.; Hu, Yongxiang; Avery, Melody A.; Powell, Kathleen A.; Hunt, William H.; Winker, David M.; Pelon, Jacques; Trepte, Charles R.; Lucker, Patricia L.;

Protozoan Bacterivory and Escherichia coli Survival in Drinking Water Distribution Systems

PubMed Central

Sibille, I.; Sime-Ngando, T.; Mathieu, L.; Block, J. C.

1998-01-01

The development of bacterial communities in drinking water distribution systems leads to a food chain which supports the growth of macroorganisms incompatible with water quality requirements and esthetics. Nevertheless, very few studies have examined the microbial communities in drinking water distribution systems and their trophic relationships. This study was done to quantify the microbial communities (especially bacteria and protozoa) and obtain direct and indirect proof of protozoan feeding on bacteria in two distribution networks, one of GAC water (i.e., water filtered on granular activated carbon) and the other of nanofiltered water. The nanofiltered water-supplied network contained no organisms larger than bacteria, either in the water phase (on average, 5 × 107 bacterial cells liter−1) or in the biofilm (on average, 7 × 106 bacterial cells cm−2). No protozoa were detected in the whole nanofiltered water-supplied network (water plus biofilm). In contrast, the GAC water-supplied network contained bacteria (on average, 3 × 108 cells liter−1 in water and 4 × 107 cells cm−2 in biofilm) and protozoa (on average, 105 cells liter−1 in water and 103 cells cm−2 in biofilm). The water contained mostly flagellates (93%), ciliates (1.8%), thecamoebae (1.6%), and naked amoebae (1.1%). The biofilm had only ciliates (52%) and thecamoebae (48%). Only the ciliates at the solid-liquid interface of the GAC water-supplied network had a measurable grazing activity in laboratory test (estimated at 2 bacteria per ciliate per h). Protozoan ingestion of bacteria was indirectly shown by adding Escherichia coli to the experimental distribution systems. Unexpectedly, E. coli was lost from the GAC water-supplied network more rapidly than from the nanofiltered water-supplied network, perhaps because of the grazing activity of protozoa in GAC water but not in nanofiltered water. Thus, the GAC water-supplied network contained a functional ecosystem with well-established and structured microbial communities, while the nanofiltered water-supplied system did not. The presence of protozoa in drinking water distribution systems must not be neglected because these populations may regulate the autochthonous and allochthonous bacterial populations. PMID:9435076

Protozoan bacterivory and Escherichia coli survival in drinking water distribution systems.

PubMed

Sibille, I; Sime-Ngando, T; Mathieu, L; Block, J C

1998-01-01

The development of bacterial communities in drinking water distribution systems leads to a food chain which supports the growth of macroorganisms incompatible with water quality requirements and esthetics. Nevertheless, very few studies have examined the microbial communities in drinking water distribution systems and their trophic relationships. This study was done to quantify the microbial communities (especially bacteria and protozoa) and obtain direct and indirect proof of protozoan feeding on bacteria in two distribution networks, one of GAC water (i.e., water filtered on granular activated carbon) and the other of nanofiltered water. The nanofiltered water-supplied network contained no organisms larger than bacteria, either in the water phase (on average, 5 x 10(7) bacterial cells liter-1) or in the biofilm (on average, 7 x 10(6) bacterial cells cm-2). No protozoa were detected in the whole nanofiltered water-supplied network (water plus biofilm). In contrast, the GAC water-supplied network contained bacteria (on average, 3 x 10(8) cells liter-1 in water and 4 x 10(7) cells cm-2 in biofilm) and protozoa (on average, 10(5) cells liter-1 in water and 10(3) cells cm-2 in biofilm). The water contained mostly flagellates (93%), ciliates (1.8%), thecamoebae (1.6%), and naked amoebae (1.1%). The biofilm had only ciliates (52%) and thecamoebae (48%). Only the ciliates at the solid-liquid interface of the GAC water-supplied network had a measurable grazing activity in laboratory test (estimated at 2 bacteria per ciliate per h). Protozoan ingestion of bacteria was indirectly shown by adding Escherichia coli to the experimental distribution systems. Unexpectedly, E. coli was lost from the GAC water-supplied network more rapidly than from the nanofiltered water-supplied network, perhaps because of the grazing activity of protozoa in GAC water but not in nanofiltered water. Thus, the GAC water-supplied network contained a functional ecosystem with well-established and structured microbial communities, while the nanofiltered water-supplied system did not. The presence of protozoa in drinking water distribution systems must not be neglected because these populations may regulate the autochthonous and allochthonous bacterial populations.

Water on Mars: A status report and suggestions for further study

NASA Astrophysics Data System (ADS)

Rummel, John; McKay, Christopher P.

2016-07-01

The most recent MEPAG review of Mars Special Regions (Rummel et al., 2014) contained the following statement, "Mars' average atmospheric pressure allows for liquid water when it exceeds that of the triple point of water, and at lower altitudes (e.g., Hellas and Argyre Basins) that is commonly the case. Higher temperatures and/or insolation may allow melting or condensation over limited areas for short time periods." Nonetheless, the US National Academies - European Science Foundation review of the MEPAG report disagreed with a preliminary statement regarding the potential for snow fallen on Mars to melt, and thus stated that, "The review committee asserts that pure liquid water simply cannot exist on Mars because the atmosphere is too dry to allow it. The partial pressure of atmospheric water vapor is typically less than 1 Pa near the surface of Mars, whereas the partial pressure of water vapor at the triple point of water is about 600 Pa." This paper will address the discrepancies between what the MEPAG paper actually asserted, and the validity of the arguments in each report and in the literature for and against liquid water on Mars - whether salty or pure (as the Mars-driven snow). Refs: Committee to Review the MEPAG Report on Mars Special Regions; Space Studies Board; The [US] National Academies of Sciences, Engineering, and Medicine; European Space Sciences Committee; European Science Foundation. (2015). Review of the MEPAG Report on Mars Special Regions. National Academy Press, Washington, DC. Rummel, J. D., Beaty, D. W., Jones, M. A., Bakermans, C., Barlow, N. G., Boston, P. J., ... & Wray, J. J. (2014). A New Analysis of Mars "Special Regions": Findings of the Second MEPAG Special Regions Science Analysis Group (SR-SAG2). Astrobiology, 14, 887-968.

[EPIDEMIOLOGIC FEATURES OFNOROVIRUS INFECTION OUTBREAK IN THE REPUBLIC OF NORTH OSSETIA-ALANIA].

PubMed

Maletskaya, O V; Tibilov, A G; Prislegina, D A; Gazieva, G K; Otaraeva, N I; Volynkina, A S; Saveliev, V N; Lyamkin, G I; Zaitsev, A A; Kulichenko, A N

2016-01-01

Analysis of epidemiologic features of a norovirus outbreak in Alagir city of the Republic of North Ossetia-Alania and effectiveness of measures of its liquidation. Data from maps-schemes of water supply system of Alagir city and statistical documentation of Centre of Hygiene and Epidemiology in the Republic of North Ossetia-Alania were used in the study. Indication of norovirus in clinical material and water samples was carried out bypolymerase chain reaction method. Etiological agent of outbreak disease was established--genotype II norovirus. Realization of fecal-oral mechanisms of water transmission pathway of the causative agent of norovirus infection was detected. Conditions facilitating emergence and development of the indicated outbreak were determined--non-satisfactory sanitary-technical condition of water. supply system of the city. The studied water outbreak of norovirus infection was caused by GII.17 genotype virus, that currently gradually displaces GII.IV genotype, and was characterized by an intensive start, involvement of all population age groups into the epidemic process (with primary infection of adults), low family focality, predominance of average severity disease forms in the clinical presentation. The counter-epidemic measures carried out ensured rapid localization and liquidation of the norovirus infection outbreak.

Measurement of δ18O, δ17O, and 17O-excess in Water by Off-Axis Integrated Cavity Output Spectroscopy and Isotope Ratio Mass Spectrometry

PubMed Central

Berman, Elena S.F.; Levin, Naomi E.; Landais, Amaelle; Li, Shuning; Owano, Thomas

2013-01-01

Stable isotopes of water have long been used to improve understanding of the hydrological cycle, catchment hydrology, and polar climate. Recently, there has been increasing interest in measurement and use of the less-abundant 17O isotope in addition to 2H and 18O. Off-axis integrated cavity output spectroscopy (OA-ICOS) is demonstrated for accurate and precise measurements δ18O, δ17O, and 17O-excess in liquid water. OA-ICOS involves no sample conversion and has a small footprint, allowing measurements to be made by researchers collecting the samples. Repeated (514) high-throughput measurements of the international isotopic reference water standard GISP demonstrate the precision and accuracy of OA-ICOS: δ18OVSMOW-SLAP =−24.74 ± 0.07 ‰ (1σ) and δ17OVSMOW-SLAP = −13.12 ± 0.05 ‰ (1σ). For comparison, the IAEA value for δ18OVSMOW-SLAP is −24.76 ± 0.09 ‰ (1σ) and an average of previously reported values for δ17OVSMOW-SLAP is −13.12 ± 0.06 ‰ (1σ). Multiple (26) high-precision measurements of GISP provide a 17O-excessVSMOW-SLAP of 23 ± 10 per meg (1σ); an average of previously reported values for 17O-excessVSMOW-SLAP is 22 ± 11 per meg (1σ). For all these OA-ICOS measurements, precision can be further enhanced by additional averaging. OA-ICOS measurements were compared with two independent isotope ratio mass spectrometry (IRMS) laboratories and shown to have comparable accuracy and precision as the current fluorination-IRMS techniques in δ18O, δ17O, and 17O-excess. The ability to measure accurately δ18O, δ17O, and 17O-excess in liquid water inexpensively and without sample conversion is expected to increase vastly the application of δ17O and 17O-excess measurements for scientific understanding of the water cycle, atmospheric convection, and climate modeling among others. PMID:24032448

Liquid to liquid extraction and liquid chromatography-tandem mass spectrometry determination of hainanmycin in feed.

PubMed

Wang, Ze Ping; Shen, Jian Zhong; Linhardt, Robert J; Jiang, Hui; Cheng, Lin Li

2017-03-01

Hainanmycin is a new veterinary polyether antibiotic and has few sensitive analytical method in present days. In this study, a liquid chromatography-tandem mass spectrometry (LC-MS/MS) relying on multiple reaction monitoring (MRM) detection was developed for analysis of hainanmycin in animal feed. Feed samples were extracted with ethyl acetate and purified by two steps of liquid-liquid extraction (LLE) to get rid of water solvable matrix and lipids one by one. The final simple was analyzed by LC-MS/MS. The LC mobile phase was composed of 0.1% aqueous formic acid and 0.1% formic acidified acetonitrile by gradient elution. Average recoveries ranged from 74.22% to 87.85%, as determined by spiking with 2.0 (LOQ) ∼2500μgkg -1 of hainanmycin. The inter-day and intra-day coefficient of variation was 9.21% to 11.77% and 7.67% to 13.49%, respectively. The limit of detection (LOD) and the limit of quantitation (LOQ) were 0.36μgkg -1 and 2.0μgkg -1 , respectively. Copyright © 2016. Published by Elsevier B.V.

Fast, simple and efficient salting-out assisted liquid-liquid extraction of naringenin from fruit juice samples prior to their enantioselective determination by liquid chromatography.

PubMed

Magiera, Sylwia; Kwietniowska, Ewelina

2016-11-15

In this study, an easy, simple and efficient method for the determination of naringenin enantiomers in fruit juices after salting-out-assisted liquid-liquid extraction (SALLE) and high-performance liquid chromatography (HPLC) with diode-array detection (DAD) was developed. The sample treatment is based on the use of water-miscible acetonitrile as the extractant and acetonitrile phase separation under high-salt conditions. After extraction, juice samples were incubated with hydrochloric acid in order to achieve hydrolysis of naringin to naringenin. The hydrolysis parameters were optimized by using a half-fraction factorial central composite design (CCD). After sample preparation, chromatographic separation was obtained on a Chiralcel® OJ-RH column using the mobile phase consisting of 10mM aqueous ammonium acetate:methanol:acetonitrile (50:30:20; v/v/v) with detection at 288nm. The average recovery of the analyzed compounds ranged from 85.6 to 97.1%. The proposed method was satisfactorily used for the determination of naringenin enantiomers in various fruit juices samples. Copyright © 2016 Elsevier Ltd. All rights reserved.

Visualization of the collective vortex-like motions in liquid argon and water: Molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Anikeenko, A. V.; Malenkov, G. G.; Naberukhin, Yu. I.

2018-03-01

We propose a new measure of collectivity of molecular motion in the liquid: the average vector of displacement of the particles, ⟨ΔR⟩, which initially have been localized within a sphere of radius Rsph and then have executed the diffusive motion during a time interval Δt. The more correlated the motion of the particles is, the longer will be the vector ⟨ΔR⟩. We visualize the picture of collective motions in molecular dynamics (MD) models of liquids by constructing the ⟨ΔR⟩ vectors and pinning them to the sites of the uniform grid which divides each of the edges of the model box into equal parts. MD models of liquid argon and water have been studied by this method. Qualitatively, the patterns of ⟨ΔR⟩ vectors are similar for these two liquids but differ in minor details. The most important result of our research is the revealing of the aggregates of ⟨ΔR⟩ vectors which have the form of extended flows which sometimes look like the parts of vortices. These vortex-like clusters of ⟨ΔR⟩ vectors have the mesoscopic size (of the order of 10 nm) and persist for tens of picoseconds. Dependence of the ⟨ΔR⟩ vector field on parameters Rsph, Δt, and on the model size has been investigated. This field in the models of liquids differs essentially from that in a random-walk model.

Turbulence measurements using the laser Doppler velocimeter.

NASA Technical Reports Server (NTRS)

Dunning, J. W., Jr.; Berman, N. S.

1971-01-01

The photomultiplier signal representing the axial velocity of water within a glass pipe is considered. It is shown that with proper analysis of the photomultiplier signal, the turbulent information that can be obtained in liquid flows is equivalent to results obtained in recent hot film studies. In shear flows the signal from the laser Doppler velocimeter contains additional information which may be related to the average shear.

Actively generated noise liquid flowmeter.

PubMed

Tanisawa, S; Hirose, H; Yoshihisa, N

1994-01-01

A new noise flowmeter with two transducers has been tested experimentally in water. It detects the noises generated by the interaction between artificially introduced air bubbles and a built-in obstacle with a downstream transducer, and differentiates them from the external noises detected by the upstream transducer in a pipe. The system includes processing instrumentation with functions such as averaging and difference-operating for reduction of external noise effects.

Influence of organic solvent on optical and structural properties of ultra-small silicon dots synthesized by UV laser ablation in liquid.

PubMed

Intartaglia, Romuald; Bagga, Komal; Genovese, Alessandro; Athanassiou, Athanassia; Cingolani, Roberto; Diaspro, Alberto; Brandi, Fernando

2012-11-28

Ultra small silicon nanoparticles (Si-NPs) with narrow size distribution are prepared in a one step process by UV picosecond laser ablation of silicon bulk in liquid. Characterization by electron microscopy and absorption spectroscopy proves Si-NPs generation with an average size of 2 nm resulting from an in situ photofragmentation effect. In this context, the current work aims to explore the liquid medium (water and toluene) effect on the Si-NPs structure and on the optical properties of the colloidal solution. Si-NPs with high pressure structure (s.g. Fm3m) and diamond-like structure (s.g. Fd3m), in water, and SiC moissanite 3C phase (s.g. F4[combining macron]3m) in toluene are revealed by the means of High-Resolution TEM and HAADF-STEM measurements. Optical investigations show that water-synthesized Si-NPs have blue-green photoluminescence emission characterized by signal modulation at a frequency of 673 cm(-1) related to electron-phonon coupling. The synthesis in toluene leads to generation of Si-NPs embedded in the graphitic carbon-polymer composite which has intrinsic optical properties at the origin of the optical absorption and luminescence of the obtained colloidal solution.

Lipid decorated liquid crystal pressure sensors

NASA Astrophysics Data System (ADS)

Lopatkina, Tetiana; Popov, Piotr; Honaker, Lawrence; Jakli, Antal; Mann, Elizabeth; Mann's Group Collaboration; Jakli's Group Collaboration

Surfactants usually promote the alignment of liquid crystal (LC) director parallel to the surfactant chains, and thus on average normal to the substrate (homeotropic), whereas water promotes tangential (planar) alignment. A water-LC interface is therefore very sensitive to the presence of surfactants, such as lipids: this is the principle of LC-based chemical and biological sensing introduced by Abbott et al.Using a modified configuration, we found that at higher than 10 micro molar lipid concentration, the uniformly dark texture seen for homeotropic alignment between left-, and right-handed circular polarizers becomes unstable and slowly brightens again. This texture shows extreme sensitivity to external air pressure variations offering its use for sensitive pressure sensors. Our analysis indicates an osmotic pressure induced bending of the suspended films explaining both the birefringence and pressure sensitivity. In the talk we will discuss the experimental details of these effects. This work was financially supported by NSF DMR No. DMR-0907055.

Laboratory simulation of heat exchange for liquids with Pr > 1: Heat transfer

NASA Astrophysics Data System (ADS)

Belyaev, I. A.; Zakharova, O. D.; Krasnoshchekova, T. E.; Sviridov, V. G.; Sukomel, L. A.

2016-02-01

Liquid metals are promising heat transfer agents in new-generation nuclear power plants, such as fast-neutron reactors and hybrid tokamaks—fusion neutron sources (FNSs). We have been investigating hydrodynamics and heat exchange of liquid metals for many years, trying to reproduce the conditions close to those in fast reactors and fusion neutron sources. In the latter case, the liquid metal flow takes place in a strong magnetic field and strong thermal loads resulting in development of thermogravitational convection in the flow. In this case, quite dangerous regimes of magnetohydrodynamic (MHD) heat exchange not known earlier may occur that, in combination with other long-known regimes, for example, the growth of hydraulic drag in a strong magnetic field, make the possibility of creating a reliable FNS cooling system with a liquid metal heat carrier problematic. There exists a reasonable alternative to liquid metals in FNS, molten salts, namely, the melt of lithium and beryllium fluorides (Flibe) and the melt of fluorides of alkali metals (Flinak). Molten salts, however, are poorly studied media, and their application requires detailed scientific substantiation. We analyze the modern state of the art of studies in this field. Our contribution is to answer the following question: whether above-mentioned extremely dangerous regimes of MHD heat exchange detected in liquid metals can exist in molten salts. Experiments and numerical simulation were performed in order to answer this question. The experimental test facility represents a water circuit, since water (or water with additions for increasing its electrical conduction) is a convenient medium for laboratory simulation of salt heat exchange in FNS conditions. Local heat transfer coefficients along the heated tube, three-dimensional (along the length and in the cross section, including the viscous sublayer) fields of averaged temperature and temperature pulsations are studied. The probe method for measurements in a flow is described in detail. Experimental data are designated for verification of codes simulating heat exchange of molten salts.

Impacts of solar-absorbing aerosol layers on the transition of stratocumulus to trade cumulus clouds

DOE PAGES

Zhou, Xiaoli; Ackerman, Andrew S.; Fridlind, Ann M.; ...

2017-10-26

Here, the effects of an initially overlying layer of solar-absorbing aerosol on the transition of stratocumulus to trade cumulus clouds are examined using large-eddy simulations. For lightly drizzling cloud the transition is generally hastened, resulting mainly from increased cloud droplet number concentration ( N c) induced by entrained aerosol. The increased N c slows sedimentation of cloud droplets and shortens their relaxation time for diffusional growth, both of which accelerate entrainment of overlying air and thereby stratocumulus breakup. However, the decrease in albedo from cloud breakup is more than offset by redistributing cloud water over a greater number of droplets,more » such that the diurnal-average shortwave forcing at the top of the atmosphere is negative. The negative radiative forcing is enhanced by sizable longwave contributions, which result from the greater cloud breakup and a reduced boundary layer height associated with aerosol heating. A perturbation of moisture instead of aerosol aloft leads to a greater liquid water path and a more gradual transition. Adding absorbing aerosol to that atmosphere results in substantial reductions in liquid water path (LWP) and cloud cover that lead to positive shortwave and negative longwave forcings on average canceling each other. Only for heavily drizzling clouds is the breakup delayed, as inhibition of precipitation overcomes cloud water loss from enhanced entrainment. Considering these simulations as an imperfect proxy for biomass burning plumes influencing Namibian stratocumulus, we expect regional indirect plus semi-direct forcings to be substantially negative to negligible at the top of the atmosphere, with its magnitude sensitive to background and perturbation properties.« less

Impacts of solar-absorbing aerosol layers on the transition of stratocumulus to trade cumulus clouds

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

Zhou, Xiaoli; Ackerman, Andrew S.; Fridlind, Ann M.

Here, the effects of an initially overlying layer of solar-absorbing aerosol on the transition of stratocumulus to trade cumulus clouds are examined using large-eddy simulations. For lightly drizzling cloud the transition is generally hastened, resulting mainly from increased cloud droplet number concentration ( N c) induced by entrained aerosol. The increased N c slows sedimentation of cloud droplets and shortens their relaxation time for diffusional growth, both of which accelerate entrainment of overlying air and thereby stratocumulus breakup. However, the decrease in albedo from cloud breakup is more than offset by redistributing cloud water over a greater number of droplets,more » such that the diurnal-average shortwave forcing at the top of the atmosphere is negative. The negative radiative forcing is enhanced by sizable longwave contributions, which result from the greater cloud breakup and a reduced boundary layer height associated with aerosol heating. A perturbation of moisture instead of aerosol aloft leads to a greater liquid water path and a more gradual transition. Adding absorbing aerosol to that atmosphere results in substantial reductions in liquid water path (LWP) and cloud cover that lead to positive shortwave and negative longwave forcings on average canceling each other. Only for heavily drizzling clouds is the breakup delayed, as inhibition of precipitation overcomes cloud water loss from enhanced entrainment. Considering these simulations as an imperfect proxy for biomass burning plumes influencing Namibian stratocumulus, we expect regional indirect plus semi-direct forcings to be substantially negative to negligible at the top of the atmosphere, with its magnitude sensitive to background and perturbation properties.« less

Impacts of solar-absorbing aerosol layers on the transition of stratocumulus to trade cumulus clouds

NASA Astrophysics Data System (ADS)

Zhou, Xiaoli; Ackerman, Andrew S.; Fridlind, Ann M.; Wood, Robert; Kollias, Pavlos

2017-10-01

The effects of an initially overlying layer of solar-absorbing aerosol on the transition of stratocumulus to trade cumulus clouds are examined using large-eddy simulations. For lightly drizzling cloud the transition is generally hastened, resulting mainly from increased cloud droplet number concentration (Nc) induced by entrained aerosol. The increased Nc slows sedimentation of cloud droplets and shortens their relaxation time for diffusional growth, both of which accelerate entrainment of overlying air and thereby stratocumulus breakup. However, the decrease in albedo from cloud breakup is more than offset by redistributing cloud water over a greater number of droplets, such that the diurnal-average shortwave forcing at the top of the atmosphere is negative. The negative radiative forcing is enhanced by sizable longwave contributions, which result from the greater cloud breakup and a reduced boundary layer height associated with aerosol heating. A perturbation of moisture instead of aerosol aloft leads to a greater liquid water path and a more gradual transition. Adding absorbing aerosol to that atmosphere results in substantial reductions in liquid water path (LWP) and cloud cover that lead to positive shortwave and negative longwave forcings on average canceling each other. Only for heavily drizzling clouds is the breakup delayed, as inhibition of precipitation overcomes cloud water loss from enhanced entrainment. Considering these simulations as an imperfect proxy for biomass burning plumes influencing Namibian stratocumulus, we expect regional indirect plus semi-direct forcings to be substantially negative to negligible at the top of the atmosphere, with its magnitude sensitive to background and perturbation properties.

Impacts of Solar-Absorbing Aerosol Layers on the Transition of Stratocumulus to Trade Cumulus Clouds

NASA Technical Reports Server (NTRS)

Zhou, Xiaoli; Ackerman, Andrew S.; Fridlind, Ann M.; Wood, Robert; Kollias, Pavlos

2017-01-01

The effects of an initially overlying layer of solar-absorbing aerosol on the transition of stratocumulus to trade cumulus clouds are examined using large-eddy simulations. For lightly drizzling cloud the transition is generally hastened, resulting mainly from increased cloud droplet number concentration (Nc) induced by entrained aerosol. The increased Nc slows sedimentation of cloud droplets and shortens their relaxation time for diffusional growth, both of which accelerate entrainment of overlying air and thereby stratocumulus breakup. However, the decrease in albedo from cloud breakup is more than offset by redistributing cloud water over a greater number of droplets, such that the diurnal-average shortwave forcing at the top of the atmosphere is negative. The negative radiative forcing is enhanced by sizable longwave contributions, which result from the greater cloud breakup and a reduced boundary layer height associated with aerosol heating. A perturbation of moisture instead of aerosol aloft leads to a greater liquid water path and a more gradual transition. Adding absorbing aerosol to that atmosphere results in substantial reductions in liquid water path (LWP) and cloud cover that lead to positive short-wave and negative longwave forcings on average canceling each other. Only for heavily drizzling clouds is the breakup delayed, as inhibition of precipitation overcomes cloud water loss from enhanced entrainment. Considering these simulations as an imperfect proxy for biomass burning plumes influencing Namibian stratocumulus, we expect regional indirect plus semi-direct forcings to be substantially negative to negligible at the top of the atmosphere, with its magnitude sensitive to background and perturbation properties.

Seepage phenomena on Mars at subzero temperature

NASA Astrophysics Data System (ADS)

Kereszturi, Akos; Möhlmann, Diedrich; Berczi, Szaniszlo; Ganti, Tibor; Horvath, Andras; Kuti, Adrienn; Pocs, Tamas; Sik, Andras; Szathmary, Eors

At the southern hemisphere of Mars seasonal slope structures emanating from Dark Dune Spots are visible on MGS MOC, and MRO HiRISE images. Based on their analysis two groups of streaks could be identified: diffuse and fan shaped ones forming in an earlier phase of local spring, probably by CO2 gas jets, and confined streaks forming only on steep slopes during a later seasonal phase. The dark color of the streaks may arise from the dark color of the dune grains where surface frost disappeared above them, or caused by the phase change of the water ice to liquid-like water, or even it may be influenced by the solutes of salts in the undercooled interfacial water The second group's morphology (meandering style, ponds at their end), morphometry, and related theoretical modelling suggest they may form by undercooled water that remains in liquid phase in a thin layer around solid grains. We analyzed sequence of images, temperature and topographic data of Russel (54S 12E), Richardson (72S 180E) and an unnamed crater (68S 2E) during southern spring. The dark streaks here show slow motion, with an average speed of meter/day, when the maximal daytime temperature is between 190 and 220 K. Based on thermophysical considerations a thin layer of interfacial water is inevitable on mineral surfaces under the present conditions of Mars. With 10 precipitable micrometer of atmospheric water vapor, liquid phase can be present down about 190 K. Under such conditions dark streaks may form by the movement of grains lubricatred by interfacial water. This possibility have various consequences on chemical, mechanical or even possible astrobiological processes on Mars. Acknowledgment: This work was supported by the ESA ECS-project No. 98004 and the Pro Renovanda Cultura Hungariae Foundation.

Hydration entropy change from the hard sphere model.

PubMed

Graziano, Giuseppe; Lee, Byungkook

2002-12-10

The gas to liquid transfer entropy change for a pure non-polar liquid can be calculated quite accurately using a hard sphere model that obeys the Carnahan-Starling equation of state. The same procedure fails to produce a reasonable value for hydrogen bonding liquids such as water, methanol and ethanol. However, the size of the molecules increases when the hydrogen bonds are turned off to produce the hard sphere system and the volume packing density rises. We show here that the hard sphere system that has this increased packing density reproduces the experimental transfer entropy values rather well. The gas to water transfer entropy values for small non-polar hydrocarbons is also not reproduced by a hard sphere model, whether one uses the normal (2.8 A diameter) or the increased (3.2 A) size for water. At least part of the reason that the hard sphere model with 2.8 A size water produces too small entropy change is that the size of water is too small for a system without hydrogen bonds. The reason that the 3.2 A model also produces too small entropy values is that this is an overly crowded system and that the free volume introduced in the system by the addition of a solute molecule produces too much of a relief to this crowding. A hard sphere model, in which the free volume increase is limited by requiring that the average surface-to-surface distance between the solute and water molecules is the same as that between the increased-size water molecules, does approximately reproduce the experimental hydration entropy values. Copyright 2002 Elsevier Science B.V.

Thermoelectric integrated membrane evaporation water recovery technology

NASA Technical Reports Server (NTRS)

Roebelen, G. J., Jr.; Winkler, H. E.; Dehner, G. F.

1982-01-01

The recently developed Thermoelectric Integrated Membrane Evaporation Subsystem (TIMES) offers a highly competitive approach to water recovery from waste fluids for future on-orbit stations such as the Space Operations Center. Low power, compactness and gravity insensitive operation are featured in this vacuum distillation subsystem that combines a hollow fiber membrane evaporator with a thermoelectric heat pump. The hollow fiber elements provide positive liquid/gas phase control with no moving parts other than pumps and an accumulator, thus solving problems inherent in other reclamation subsystem designs. In an extensive test program, over 850 hours of operation were accumulated during which time high quality product water was recovered from both urine and wash water at an average steady state production rate of 2.2 pounds per hour.

Self-aggregation of water-dispersible nanocollagen helices.

PubMed

Van Duong, Hau; Chau, Trang The Lieu; Dang, Nhan Thi Thanh; Nguyen, Duc Van; Le, Son Lam; Ho, Thang Sy; Vu, Tuyen Phi; Tran, Thi Thi Van; Nguyen, Thanh-Dinh

2018-02-27

Inspired by nature, collagen is an outstanding polypeptide utilized to exploit its bioactivity and material design for healthcare technologies. In this study, we describe the self-aggregation of water-dispersible nanocollagen helices upon solidification to fabricate different forms of natural collagen materials. Chemically extracted native collagen fibrils are uniform anisotropic nanoparticles with an average diameter of about 50 nm and a high aspect ratio. The as-prepared collagen nanofibrils are soluble in sodium acetate-acetic acid buffer and are dispersible in water, thus generating collagen liquids that are used as distinct biopolymer precursors for materials development. Our interesting findings indicate that water-dispersible collagen-derived alcogels undergo critical point drying to self-arrange hierarchical nanofibrils into helix bundles in collagen sponge-like aerogels. Notably, using lyophilization to remove water in the biopolymer dispersion, a full regeneration of solidified fibers is achieved, producing collagen aerogels with lightweight characteristics similar to natural cottons. The self-aggregation of water-dispersible collagen occurs under freeze-drying conditions to turn individual nanofibrils into sheets with layered structures in the aerogel networks. The development of transparent, water resistant collagen bioplastic-like membranes was achieved by supramolecular self-assembly of water-dispersible collagen nanofibrils. Our efforts present a reliable concept in soft matter for creating promising collagen examples of liquids, hydrogels, aerogels, and membranes to increase utilization value of native collagen for biomedicine, pharmaceuticals, cosmetics, and nutrients.

Translational diffusion of water inside hydrophobic carbon micropores studied by neutron spectroscopy and molecular dynamics simulation

DOE PAGES

Diallo, S. O.; Vlcek, L.; Mamontov, E.; ...

2015-02-17

When water molecules are confined to nanoscale spacings, such as in the nanometer-size pores of activated carbon fiber (ACF), their freezing point gets suppressed down to very low temperatures (~150 K), leading to a metastable liquid state with remarkable physical properties. Here we have investigated the ambient pressure diffusive dynamics of water in microporous Kynol ACF-10 (average pore size ~11.6 Å, with primarily slit-like pores) from temperature T = 280 K in its stable liquid state down to T = 230 K into the metastable supercooled phase. The observed characteristic relaxation times and diffusion coefficients are found to be, respectively, higher and lower than those in bulk water, indicating a slowing down of the water mobility with decreasing temperature. The observed temperature-dependent average relaxation time (more » $${{\\tau}}$$) when compared to previous findings indicate that it is the width of the slit pores-not their curvature-that primarily affects the dynamics of water for pore sizes larger than 10 Å. The experimental observations are compared to complementary molecular dynamics simulations of a model system, in which we studied the diffusion of water within the 11.6 Å gap of two parallel graphene sheets. We find generally a reasonable agreement between the observed and calculated relaxation times at the low momentum transfer Q (Q ≤ 0.9 Å -1). At high Q, however, where localized dynamics becomes relevant, this ideal system does not satisfactorily reproduce the measurements. Consequently, the simulations are compared to the experiments at low Q, where the two can be best reconciled. The best agreement is obtained for the diffusion parameter D associated with the hydrogen-site when a representative stretched exponential function, rather than the standard bimodal exponential model, is used to parametrize the self-correlation function I (Q,t).« less

Quantification of short chain amines in aqueous matrices using liquid chromatography electrospray ionization tandem mass spectrometry.

PubMed

Viidanoja, Jyrki

2017-01-13

A new liquid chromatography-electrospray ionization-tandem Mass Spectrometry (LC-ESI-MS/MS) method was developed for the determination of more than 20 C 1 -C 6 alkyl and alkanolamines in aqueous matrices. The method employs Hydrophilic Interaction Liquid Chromatography Multiple Reaction Monitoring (HILIC-MRM) with a ZIC-pHILIC column and four stable isotope labeled amines as internal standards for signal normalization and quantification of the amines. The method was validated using a refinery process water sample that was obtained from a cooling cycle of crude oil distillation. The averaged within run precision, between run precision and accuracy were generally within 2-10%, 1-9% and 80-120%, respectively, depending on the analyte and concentration level. Selected aqueous process samples were analyzed with the method. Copyright © 2016 Elsevier B.V. All rights reserved.

Track-average LET of secondary electrons generated in LiF:Mg,Ti and liquid water by 20-300 kV x-ray, 137Cs and 60Co beams.

PubMed

Cabrera-Santiago, A; Massillon-Jl, G

2016-11-21

Electrons generated in matter by photons could be a fundamental basis for an adequate analysis of radiation effects and damage. We have studied separately the 'primary electrons' generated directly by photons from the 'secondary electrons' (SE) produced by electron-electron interactions. In this work, track-average linear energy transfer, [Formula: see text], of SE in LiF:Mg,Ti and liquid water produced by twelve photon energy beams from 20 kV x-ray to 60 Co gamma rays have been investigated using the EGSnrc Monte Carlo Code. The exposure of LiF:Mg,Ti in different phantom materials has been considered. Depending on the photon energy, SE represent 40%-90% of the total electron fluence (TEF) between 1 keV and 10 keV, being higher when the photon energy increases. Independent of the medium, [Formula: see text] versus mean photon energy displays a local minimum at around 40 keV, followed by a local maximum at ~80 keV-100 keV. The [Formula: see text] of SE generated by the x-ray beams are of order of 11 keV µm -1 to 19 keV µm -1 in LiF:Mg,Ti and 5 keV µm -1 to 9 keV µm -1 in liquid water which represent 3-5 times those produced by 60 Co gamma rays in both media. These values were considerably greater than those of TEF, by factors of 3-8. Furthermore, [Formula: see text] of SE generated in liquid water by 20 kV-200 kV x-rays are similar to those of 76 MeV-120 MeV 3 He ions. Contrary to the TEF, where [Formula: see text] were independent of the phantom material, at low photon energies [Formula: see text] of SE was found to be sensitive to the surrounding medium showing higher values within the phantom than in air. This result, which agrees with published experimental results, implies the importance of the SE ionization density for an understanding of dosimeter response induced by photon beams.

Synthesis of monodisperse silica microspheres and modification with diazoresin for mixed-mode ultra high performance liquid chromatography separations.

PubMed

Cong, Hailin; Yu, Bing; Tian, Chao; Zhang, Shuai; Yuan, Hua

2017-11-01

Monodisperse silica particles with average diameters of 1.9-2.9 μm were synthesized by a modified Stöber method, in which tetraethyl orthosilicate was continuously supplied to the reaction mixture containing KCl electrolyte, water, ethanol, and ammonia. The obtained silica particles were modified by self-assembly with positively charged photosensitive diazoresin on the surface. After treatment with ultraviolet light, the ionic bonding between silica and diazoresin was converted into covalent bonding through a unique photochemistry reaction of diazoresin. Depending on the chemical structure of diazoresin and mobile phase composition, the diazoresin-modified silica stationary phase showed different separation mechanisms, including reversed phase and hydrophilic interactions. Therefore, a variety of baseline separation of benzene analogues and organic acids was achieved by using the diazoresin-modified silica particles as packing materials in ultra high performance liquid chromatography. According to the π-π interactional difference between carbon rings of fullerenes and benzene rings of diazoresin, C 60 and C 70 were also well separated by ultra-high performance liquid chromatography. Because it has a small size, the ∼2.5 μm monodisperse diazoresin-modified silica stationary phase shows ultra-high efficiency compared with the commercial C 18 -silica high-performance liquid chromatography stationary phase with average diameters of ∼5 μm. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A regional analysis of cloudy mean spherical albedo over the marine stratocumulus region and the tropical Atlantic Ocean. M.S. Thesis

NASA Technical Reports Server (NTRS)

Ginger, Kathryn M.

1993-01-01

Since clouds are the largest variable in Earth's radiation budget, it is critical to determine both the spatial and temporal characteristics of their radiative properties. The relationships between cloud properties and cloud fraction are studied in order to supplement grid scale parameterizations. The satellite data used is from three hourly ISCCP (International Satellite Cloud Climatology Project) and monthly ERBE (Earth Radiation Budget Experiment) data on a 2.5 deg x 2.5 deg latitude-longitude grid. Mean cloud spherical albedo, the mean optical depth distribution, and cloud fraction are examined and compared off the coast of California and the mid-tropical Atlantic for July 1987 and 1988. Individual grid boxes and spatial averages over several grid boxes are correlated to Coakley's theory of reflection for uniform and broken layered cloud and to Kedem, et al.'s findings that rainfall volume and fractional area of rain in convective systems is linear. Kedem's hypothesis can be expressed in terms of cloud properties. That is, the total volume of liquid in a box is a linear function of cloud fraction. Results for the marine stratocumulus regime indicate that albedo is often invariant for cloud fractions of 20% to 80%. Coakley's satellite model of small and large clouds with cores (1 km) and edges (100 m) is consistent with this observation. The cores maintain high liquid water concentrations and large droplets while the edges contain low liquid water concentrations and small droplets. Large clouds are just a collection of cores. The mean optical depth (TAU) distributions support the above observation with TAU values of 3.55 to 9.38 favored across all cloud fractions. From these results, a method based upon Kedem, et al's theory is proposed to separate the cloud fraction and liquid water path (LWP) calculations in a general circulation model (GCM). In terms of spatial averaging, a linear relationship between albedo and cloud fraction is observed. For tropical locations outside the Intertropical Convergence Zone (ITCZ), results of cloud fraction and albedo spatial averaging followed that of the stratus boxes containing few overcast scenes. Both the ideas of Coakley and Kedem, et al. apply. Within the ITCZ, the grid boxes tended to have the same statistical properties as stratus boxes containing many overcast scenes. Because different dynamical forcing mechanisms are present, it is difficult to devise a method for determining subgrid scale variations. Neither of the theories proposed by Kedem, et al. or Coakley works well for the boxes with numerous overcast scenes.

A Regional Analysis of Cloudy Mean Spherical Albedo over the Marine Stratocumulus Region and the Tropical Atlantic Ocean

NASA Technical Reports Server (NTRS)

Ginger, Kathryn M.

1993-01-01

Since clouds are the largest variable in Earth's radiation budget, it is critical to determine both the spatial and temporal characteristics of their radiative properties. This study examines the relationships between cloud properties and cloud fraction in order to supplement grid scale parameterizations. The satellite data used in this study is from three hourly ISCCP (International Satellite Cloud Climatology Project) and monthly ERBE (Earth Radiation Budget Experiment) data on a 2.50 x 2.50 latitude-longitude grid. Mean cloud spherical albedo, the mean optical depth distribution and cloud fraction are examined and compared off the coast of California and the mid-tropical Atlantic for July 1987 and 1988. Individual grid boxes and spatial averages over several grid boxes are correlated to Coakleys (1991) theory of reflection for uniform and broken layered cloud and to Kedem, et al.(1990) findings that rainfall volume and fractional area of rain in convective systems is linear. Kedem's hypothesis can be expressed in terms of cloud properties. That is, the total volume of liquid in a box is a linear function of cloud fraction. Results for the marine stratocumulus regime indicate that albedo is often invariant for cloud fractions of 20% to 80%. Coakley's satellite model of small and large clouds with cores (1 km) and edges (100 in) is consistent with this observation. The cores maintain high liquid water concentrations and large droplets while the edges contain low liquid water concentrations and small droplets. Large clouds are just a collection of cores. The mean optical depth (TAU) distributions support the above observation with TAU values of 3.55 to 9.38 favored across all cloud fractions. From these results, a method based upon Kedem, et al. theory is proposed to separate the cloud fraction and liquid water path (LWP) calculations in a general circulation model (GCM). In terms of spatial averaging, a linear relationship between albedo and cloud fraction is observed. For tropical locations outside the Intertropical Convergence Zone (ITCZ), results of cloud fraction and albedo spatial averaging followed that of the stratus boxes containing few overcast scenes. Both the ideas of Coakley and Kedem, et al. apply. Within the ITCZ, the grid boxes tended to have the same statistical properties as stratus boxes containing many overcast scenes. Because different dynamical forcing mechanisms are present, it is difficult to devise a method for determining subgrid scale variations. Neither of the theories proposed by Kedem, et al. or Coakley works well for the boxes with numerous overcast scenes.

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.

Determination of water-soluble vitamins in infant milk and dietary supplement using a liquid chromatography on-line coupled to a corona-charged aerosol detector.

PubMed

Márquez-Sillero, Isabel; Cárdenas, Soledad; Valcárcel, Miguel

2013-10-25

A simple and rapid method for the simultaneous determination of seven water-soluble vitamins (thiamine, folic acid, nicotinic acid, ascorbic acid, pantothenic acid, pyridoxine and biotin) was developed by high performance liquid chromatographic separation and corona-charged aerosol detection. The water-soluble vitamins were separated on a Lichrosorb RP-C18 column under isocratic conditions with a mobile phase consisting of 0.05 M ammonium acetate:methanol 90:10 (v/v) at the flow rate 0.5 mL min(-1). The vitamins were extracted from the infant milk (liquid and powder format) using a precipitation step with 2.5 M acetic acid remaining the analyte in the supernatant. As far as dietary supplements are concerned, only a dilution with distilled water was required. The detection limits ranged from 0.17 to 0.62 mg L(-1) for dietary supplements and 1.7 to 6.5 mg L(-1) for milk samples. The precision of the method was evaluated in terms of relative standard deviation (%, RSD) under repeatability and reproducibility conditions, being the average values for each parameter 2.6 and 2.7 for dietary supplements and 4.3 and 4.6 for milk samples. The optimized method was applied to different infant milk samples and dietary supplements. The results of the analysis were in good agreement with the declared values. Copyright © 2013 Elsevier B.V. All rights reserved.

Determination of fenoterol in human plasma by HPLC with fluorescence detection after derivatization.

PubMed

Meineke, Ingolf; Steinmetz, Hannelore; Kramer, Skaidrit; Gleiter, Christoph H

2002-06-20

A new method for the determination of fenoterol is described, which uses HPLC separation with fluorescence detection. Dobutamine is employed as an internal standard. The separation was achieved on a short reversed phase column with a mobile phase consisting of water, acetonitrile and methanol. Prior to chromatography both analytes are derivatized with 9-chloroformyl-carbazole. Isolation of the analytes from plasma is carried out by liquid-liquid extraction into 2-butanol after protein precipitation with acetonitrile. The method is capable of estimating fenoterol concentrations in the sub-nanogram per ml range with sufficient accuracy and precision. The determination of fenoterol can now be carried out in the average laboratory without radiolabelled material.

Radioisotope measurements of the liquid-gas flow in the horizontal pipeline using phase method

NASA Astrophysics Data System (ADS)

Hanus, Robert; Zych, Marcin; Jaszczur, Marek; Petryka, Leszek; Świsulski, Dariusz

2018-06-01

The paper presents application of the gamma-absorption method to a two-phase liquid-gas flow investigation in a horizontal pipeline. The water-air mixture was examined by a set of two Am-241 radioactive sources and two NaI(Tl) scintillation probes. For analysis of the electrical signals obtained from detectors the cross-spectral density function (CSDF) was applied. Results of the gas phase average velocity measurements for CSDF were compared with results obtained by application of the classical cross-correlation function (CCF). It was found that the combined uncertainties of the gas-phase velocity in the presented experiments did not exceed 1.6% for CSDF method and 5.5% for CCF.

Study on Gas-liquid Falling Film Flow in Internal Heat Integrated Distillation Column

NASA Astrophysics Data System (ADS)

Liu, Chong

2017-10-01

Gas-liquid internally heat integrated distillation column falling film flow with nonlinear characteristics, study on gas liquid falling film flow regulation control law, can reduce emissions of the distillation column, and it can improve the quality of products. According to the distribution of gas-liquid mass balance internally heat integrated distillation column independent region, distribution model of heat transfer coefficient of building internal heat integrated distillation tower is obtained liquid distillation falling film flow in the saturated vapour pressure of liquid water balance, using heat transfer equation and energy equation to balance the relationship between the circulating iterative gas-liquid falling film flow area, flow parameter information, at a given temperature, pressure conditions, gas-liquid flow falling film theory makes the optimal parameters to achieve the best fitting value with the measured values. The results show that the geometric gas-liquid internally heat integrated distillation column falling film flow heat exchange area and import column thermostat, the average temperature has significant. The positive correlation between the heat exchanger tube entrance due to temperature difference between inside and outside, the heat flux is larger, with the increase of internal heat integrated distillation column temperature, the slope decreases its temperature rise, which accurately describes the internal gas-liquid heat integrated distillation tower falling film flow regularity, take appropriate measures to promote the enhancement of heat transfer. It can enhance the overall efficiency of the heat exchanger.

Modeling the Thickness of Perennial Ice Covers on Stratified Lakes of the Taylor Valley, Antarctica

NASA Technical Reports Server (NTRS)

Obryk, M. K.; Doran, P. T.; Hicks, J. A.; McKay, C. P.; Priscu, J. C.

2016-01-01

A one-dimensional ice cover model was developed to predict and constrain drivers of long term ice thickness trends in chemically stratified lakes of Taylor Valley, Antarctica. The model is driven by surface radiative heat fluxes and heat fluxes from the underlying water column. The model successfully reproduced 16 years (between 1996 and 2012) of ice thickness changes for west lobe of Lake Bonney (average ice thickness = 3.53 m; RMSE = 0.09 m, n = 118) and Lake Fryxell (average ice thickness = 4.22 m; RMSE = 0.21 m, n = 128). Long-term ice thickness trends require coupling with the thermal structure of the water column. The heat stored within the temperature maximum of lakes exceeding a liquid water column depth of 20 m can either impede or facilitate ice thickness change depending on the predominant climatic trend (temperature cooling or warming). As such, shallow (< 20 m deep water columns) perennially ice-covered lakes without deep temperature maxima are more sensitive indicators of climate change. The long-term ice thickness trends are a result of surface energy flux and heat flux from the deep temperature maximum in the water column, the latter of which results from absorbed solar radiation.

Water-induced ethanol dewetting transition.

PubMed

Ren, Xiuping; Zhou, Bo; Wang, Chunlei

2012-07-14

The dewetting transitions of two hydrophobic plates immersed in pure water, aqueous ethanol solutions with concentrations from 25% to 90%, and pure ethanol were investigated by molecular dynamics simulations, where the dewetting transition was analogous to a first-order phase transition from liquid to vapor. It was found that the dewetting transitions occurred except that in the pure ethanol system. Although the ethanol molecules prefer to locate in the vicinity of the two plates, the inter-plate region is unfavorable for water molecules, due to losing more than one hydrogen bond. Moreover, each inter-plate water molecule forms hydrogen bonds on average with about two ethanol molecules. These intermolecular hydrogen bonds cause water and ethanol to cooperatively fill or exit the inter-plate region. Thus, water molecules play a more important role in the inter-plate filling/empty process, and induce the ethanol dewetting transition. Our results provide insight into the effect of water on the ethanol dewetting phenomena.

Targeted Nanoparticle Thermometry: A Method to Measure Local Temperature at the Nanoscale Point Where Water Vapor Nucleation Occurs.

PubMed

Alaulamie, Arwa A; Baral, Susil; Johnson, Samuel C; Richardson, Hugh H

2017-01-01

An optical nanothermometer technique based on laser trapping, moving and targeted attaching an erbium oxide nanoparticle cluster is developed to measure the local temperature. The authors apply this new nanoscale temperature measuring technique (limited by the size of the nanoparticles) to measure the temperature of vapor nucleation in water. Vapor nucleation is observed after superheating water above the boiling point for degassed and nondegassed water. The average nucleation temperature for water without gas is 560 K but this temperature is lowered by 100 K when gas is introduced into the water. The authors are able to measure the temperature inside the bubble during bubble formation and find that the temperature inside the bubble spikes to over 1000 K because the heat source (optically-heated nanorods) is no longer connected to liquid water and heat dissipation is greatly reduced. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Radical re-appraisal of water structure in hydrophilic confinement.

PubMed

Soper, Alan K

2013-12-18

The structure of water confined in MCM41 silica cylindrical pores is studied to determine whether confined water is simply a version of the bulk liquid which can be substantially supercooled without crystallisation. A combination of total neutron scattering from the porous silica, both wet and dry, and computer simulation using a realistic model of the scattering substrate is used. The water in the pore is divided into three regions: core, interfacial and overlap. The average local densities of water in these simulations are found to be about 20% lower than bulk water density, while the density in the core region is below, but closer to, the bulk density. There is a decrease in both local and core densities when the temperature is lowered from 298 K to 210 K. The radical proposal is made here that water in hydrophilic confinement is under significant tension, around -100 MPa, inside the pore.

Interactions of water with roasted and ground coffee in the wetting process investigated by a combination of physical determinations.

PubMed

Mateus, Maria-L; Rouvet, Martine; Gumy, Jean-C; Liardon, Rémy

2007-04-18

Three complementary techniques were used in this study to investigate the physical changes during wetting of roasted and ground coffee. Scanning electron microscopy (SEM) was found to provide indirect evidence of the presence of liquid water in the coffee particles. The effect of wetting on coffee closed porosity was studied by helium pycnometry, and finally, particle sizing was used to determine the swelling kinetics of coffee after wetting. Due to the solubilization of compounds, the presence of liquid water could be detected in the coffee cells by SEM. The technique was then used to investigate different water contents; for example, for roasted and ground coffee containing 1 g of water per gram of coffee on a dry basis, liquid water was present in cells only at the periphery of approximately 1.0 mm diameter particles. Coffee closed porosity decreased with increasing water content, as evidenced by pycnometry. For roasted and ground coffee containing 1 g of water per gram of coffee, results showed a closed porosity lower that 0.1 cm3/g ( approximately 20% of the closed porosity measured in dry particles). The decrease of closed porosity may be attributed to both (1) water filling cells' lumen and (2) plasticization of cell wall polymers, resulting in the matrix relaxation and increase of helium accessibility to the pores. Water binding to the matrix polymers was further investigated by calorimetric measurements. The integration of the endothermic peak of freezing water showed that approximately 0.15 g of water/g of coffee is nonfreezable water, that is, water bound to the matrix polymers. Finally, the use of particle sizing showed that the average volume of the coffee particles with 1 g of water/g of coffee increased by up to 20-23% at 10-15 min following wetting. Moisture diffusion coefficients in coffee particles [( approximately 2-3) x 10(-11) m2 s(-1)] were approximated by fitting the swelling curves with a model of diffusion. The observed results may give information about homogeneity and the physical state of water in wetted roasted coffee and thus increase the understanding of the mechanisms of molecular mass transfer during extraction.

Interfacial liquid water on Mars and its potential role in formation of hill and dune gullies

NASA Astrophysics Data System (ADS)

Kossacki, Konrad J.; Markiewicz, Wojciech J.

2010-11-01

Gullies are among the most intriguing structures identified on the surface of Mars. Most common are gullies located on the slopes of craters which are probably formed by liquid water transported by shallow aquifers (Heldmann, J.L., Carlsson, E., Johansson, H., Mellon, M.T., Toon, O.B. [2007]. Icarus 188, 324-344). Two particular types of gullies are found on slopes of isolated hills and dunes. The hill-slope gullies are located mostly at 50°S, which is at the high end of latitudes of bulk of the gullies found so far. The dune gullies are found in several locations up to 65°S (Reiss, D., Jaumann, R., Kereszturi, A., Sik, A., Neukum, G. [2007]. Lunar Planet. Sci. XXXVIII. Abstract 1993), but the best known are those in Russel crater at 54°S. The hill and dune gullies are longer than others making the aquifers explanation for their formation unlikely (Balme, M., Mangold, N., Baratoux, D., Costard, F., Gosselin, M., Masson, P., Pnet, P., Neukum, G. [2006]. J. Geophys. Res. 111. doi:10.1029/2005JE002607). Recently it has been noted that thin liquid films of interfacial water can play a role in rheological processes on the surface of Mars (Moehlmann, D. [2008]. Icarus 195, 131-139. Kereszturi, A., Moehlmann, D., Berczi, Sz., Ganti, T., Kuti, A., Sik, A., Horvath, A. [2009]. Icarus 201, 492-503.). Here we try to answer the question whether interfacial liquid water may occur on Mars in quantities large enough to play a role in formation of gullies. To verify this hypothesis we have calculated thermal models for hills and dunes of various steepness, orientation and physical properties. We find that within a range of average expected values of parameters it is not possible to have more than a few monolayers of liquid water at depths greater than a centimeter. To create subsurface interfacial water film significantly thicker and hence to produce conditions for the slope instability, parameters have to be chosen to have their extreme realistic values or an additional source of surface heating is needed. One possibility for additional heating is a change of atmospheric conditions due to a local dust storm. We conclude that if interfacial water is responsible for the formation of the hill-slope gullies, our results may explain why the hill gullies are rare.

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 the ST2 model of water, and point to the separation of time scales between crystallization and relaxation as being crucial for enabling it.

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 the ST2 model of water, and point to the separation of time scales between crystallization and relaxation as being crucial for enabling it.

Concentration of Trichloroethylene in Breast Milk and Household Water from Nogales, Arizona

PubMed Central

Beamer, Paloma I.; Luik, Catherine E.; Abrell, Leif; Campos, Swilma; Martínez, María Elena; Sáez, A. Eduardo

2013-01-01

The United States Environmental Protection Agency has identified quantification of trichloroethylene (TCE), an industrial solvent, in breast milk as a high priority need for risk assessment. Water and milk samples were collected from 20 households by a lactation consultant in Nogales, Arizona. Separate water samples (including tap, bottled and vending machine) were collected for all household uses: drinking, bathing, cooking, and laundry. A risk factor questionnaire was administered. Liquid-liquid extraction with diethyl ether was followed by GC-MS for TCE quantification in water. Breast milk underwent homogenization, lipid hydrolysis and centrifugation prior to extraction. The limit of detection was 1.5 ng/mL. TCE was detected in 7 of 20 mothers’ breast milk samples. The maximum concentration was 6 ng/mL. TCE concentration in breast milk was significantly correlated with the concentration in water used for bathing (ρ=0.59, p=0.008). Detection of TCE in breast milk was more likely if the infant had a body mass index <14 (RR=5.2, p=0.02). Based on average breast milk consumption, TCE intake for 5% of the infants may exceed the proposed US EPA Reference Dose. Results of this exploratory study warrant more in depth studies to understand risk of TCE exposures from breast milk intake. PMID:22827160

A molecular dynamics study of water nucleation using the TIP4P/2005 model

NASA Astrophysics Data System (ADS)

Pérez, Alejandro; Rubio, Angel

2011-12-01

Extensive molecular dynamics simulations were conducted using the TIP4P/2005 water model of Abascal and Vega [J. Chem. Phys. 123, 234505 (2005)] to investigate its condensation from supersaturated vapor to liquid at 330 K. The mean first passage time method [J. Wedekind, R. Strey, and D. Reguera, J. Chem. Phys. 126, 134103 (2007); L. S. Bartell and D. T. Wu, 125, 194503 (2006)] was used to analyze the influence of finite size effects, thermostats, and charged species on the nucleation dynamics. We find that the Nosé-Hoover thermostat and the one proposed by Bussi et al. [J. Chem. Phys. 126, 014101 (2007)] give essentially the same averages. We identify the maximum thermostat coupling time to guarantee proper thermostating for these simulations. The presence of charged species has a dramatic impact on the dynamics, inducing a marked change towards a pure growth regime, which highlights the importance of ions in the formation of liquid droplets in the atmosphere. It was found a small but noticeable sign preference at intermediate cluster sizes (between 5 and 30 water molecules) corresponding mostly to the formation of the second solvation shell around the ion. The TIP4P/2005 water model predicts that anions induce faster formation of water clusters than cations of the same magnitude of charge.

Soil-water movement under natural-site and waste-site conditions: A multiple-year field study in the Mojave Desert, Nevada

USGS Publications Warehouse

Andraski, Brian J.

1997-01-01

Soil-water movement under natural-site and simulated waste-site conditions were compared by monitoring four experimental sites in the Mojave Desert, Nevada, during a 5-year period: one vegetated soil profile, one soil profile where vegetation was removed, and two nonvegetated test trenches. Precipitation ranged from 14 to 162 mm/yr. Temporal changes in water content measured by neutron probe were limited to the upper 0.5–1 m; values ranged from 0.01 to 0.19 m3/m3. Water potential and temperature were measured by thermocouple psychrometers; 77% remained operable for ≥4.5 years. For vegetated soil, precipitation that accumulated in the upper 0.75 m of soil was removed by evapotranspiration: water potentials decreased seasonally by 4 to >8 MPa. During 2 years with below-average precipitation, water potentials below the app arent root zone decreased by 2.3 (1.2-m depth) to 0.4 MPa (5-m depth), and the gradients became predominantly upward. Water potentials then rebounded during 2 years with near- and above-average precipitation, and seasonally variant water potential gradients were reestablished above the 4.2-m depth. Under nonvegetated waste-site conditions, data indicated the long-term accumulation and shallow, but continued, penetration of precipitation: water potentials showed moisture penetration to depths of 0.75−1.85 m. The method of simulated-waste drum placement (stacked versus random) and the associated differences in subsidence showed no measurable influence on the water balance of the trenches: subsidence totaled ≤13 mm during the study. Water potentials below the trenches and below the 2-m depth for the nonvegetated soil remained low (≈−5.5 to −7.5 MPa) and indicated the persistence of typically upward driving forces for isothermal water flow. Water fluxes estimated from water potential and temperature data suggested that isothermal liquid, isothermal vapor, and nonisothermal vapor flow need to be considered in the conceptualization of unsaturated flow at the field sites. Below the depth of temporal water content change, the estimated liquid fluxes ranged from 10−10 to 10−15 cm/s, isothermal vapor fluxes ranged from 10−10 to 10−13 cm/s, and the nonisothermal vapor fluxes ranged from 10−8 to 10−10cm/s.

Track structure of protons and other light ions in liquid water: applications of the LIonTrack code at the nanometer scale.

PubMed

Bäckström, G; Galassi, M E; Tilly, N; Ahnesjö, A; Fernández-Varea, J M

2013-06-01

The LIonTrack (Light Ion Track) Monte Carlo (MC) code for the simulation of H(+), He(2+), and other light ions in liquid water is presented together with the results of a novel investigation of energy-deposition site properties from single ion tracks. The continuum distorted-wave formalism with the eikonal initial state approximation (CDW-EIS) is employed to generate the initial energy and angle of the electrons emitted in ionizing collisions of the ions with H2O molecules. The model of Dingfelder et al. ["Electron inelastic-scattering cross sections in liquid water," Radiat. Phys. Chem. 53, 1-18 (1998); "Comparisons of calculations with PARTRAC and NOREC: Transport of electrons in liquid water," Radiat. Res. 169, 584-594 (2008)] is linked to the general-purpose MC code PENELOPE/penEasy to simulate the inelastic interactions of the secondary electrons in liquid water. In this way, the extended PENELOPE/penEasy code may provide an improved description of the 3D distribution of energy deposits (EDs), making it suitable for applications at the micrometer and nanometer scales. Single-ionization cross sections calculated with the ab initio CDW-EIS formalism are compared to available experimental values, some of them reported very recently, and the theoretical electronic stopping powers are benchmarked against those recommended by the ICRU. The authors also analyze distinct aspects of the spatial patterns of EDs, such as the frequency of nearest-neighbor distances for various radiation qualities, and the variation of the mean specific energy imparted in nanoscopic targets located around the track. For 1 MeV/u particles, the C(6+) ions generate about 15 times more clusters of six EDs within an ED distance of 3 nm than H(+). On average clusters of two to three EDs for 1 MeV/u H(+) and clusters of four to five EDs for 1 MeV/u C(6+) could be expected for a modeling double strand break distance of 3.4 nm.

A phenomenological continuum model for force-driven nano-channel liquid flows

NASA Astrophysics Data System (ADS)

Ghorbanian, Jafar; Celebi, Alper T.; Beskok, Ali

2016-11-01

A phenomenological continuum model is developed using systematic molecular dynamics (MD) simulations of force-driven liquid argon flows confined in gold nano-channels at a fixed thermodynamic state. Well known density layering near the walls leads to the definition of an effective channel height and a density deficit parameter. While the former defines the slip-plane, the latter parameter relates channel averaged density with the desired thermodynamic state value. Definitions of these new parameters require a single MD simulation performed for a specific liquid-solid pair at the desired thermodynamic state and used for calibration of model parameters. Combined with our observations of constant slip-length and kinematic viscosity, the model accurately predicts the velocity distribution and volumetric and mass flow rates for force-driven liquid flows in different height nano-channels. Model is verified for liquid argon flow at distinct thermodynamic states and using various argon-gold interaction strengths. Further verification is performed for water flow in silica and gold nano-channels, exhibiting slip lengths of 1.2 nm and 15.5 nm, respectively. Excellent agreements between the model and the MD simulations are reported for channel heights as small as 3 nm for various liquid-solid pairs.

Perspectives on continuum flow models for force-driven nano-channel liquid flows

NASA Astrophysics Data System (ADS)

Beskok, Ali; Ghorbanian, Jafar; Celebi, Alper

2017-11-01

A phenomenological continuum model is developed using systematic molecular dynamics (MD) simulations of force-driven liquid argon flows confined in gold nano-channels at a fixed thermodynamic state. Well known density layering near the walls leads to the definition of an effective channel height and a density deficit parameter. While the former defines the slip-plane, the latter parameter relates channel averaged density with the desired thermodynamic state value. Definitions of these new parameters require a single MD simulation performed for a specific liquid-solid pair at the desired thermodynamic state and used for calibration of model parameters. Combined with our observations of constant slip-length and kinematic viscosity, the model accurately predicts the velocity distribution and volumetric and mass flow rates for force-driven liquid flows in different height nano-channels. Model is verified for liquid argon flow at distinct thermodynamic states and using various argon-gold interaction strengths. Further verification is performed for water flow in silica and gold nano-channels, exhibiting slip lengths of 1.2 nm and 15.5 nm, respectively. Excellent agreements between the model and the MD simulations are reported for channel heights as small as 3 nm for various liquid-solid pairs.

Ultra-high-pressure liquid chromatography-tandem mass spectrometry method for the determination of alkylphenols in soil.

PubMed

Wang, Jing; Pan, Hefang; Liu, Zhengzheng; Ge, Fei

2009-03-20

A novel method has been developed for the determination of alkylphenols in soil by ultra-high-pressure liquid chromatography employing small particle sizes, combined with tandem mass spectrometry. Soil samples were extracted with pressurized liquid extraction (PLE) and then cleaned with solid-phase extraction (SPE). The extracts were separated on C18 column (1.7 microm, 50 mm x 2.1mm) with a gradient elution and a mobile phase consisting of water and acetonitrile, and then detected by an electrospray ionization tandem mass spectrometry in negative ion mode with multiple reaction monitoring (MRM). Compared with traditional liquid chromatography, it took ultra-high-pressure liquid chromatography much less time to analyze alkylphenols. Additionally, the ultra-high-pressure liquid chromatography/tandem mass spectrometry method produces satisfactory reliability, sensitivity, and accuracy. The average recoveries of the three target analytes were 74.0-103.4%, with the RSD<15%. The calibration curves for alkylphenols were linear within the range of 0.01-0.4 microg/ml, with the correlation coefficients greater than 0.99. When 10 g soil sample was used for analysis, the limits of quantification (LOQs) of the three alkylphenols were all 1.0 microg/kg.

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

Eddy correlation measurements of size-dependent cloud droplet turbulent fluxes to complex terrain

NASA Astrophysics Data System (ADS)

Vong, Richard J.; Kowalski, Andrew S.

1995-07-01

An eddy correlation technique was used to measure the turbulent flux of cloud droplets to complex, forested terrain near the coast of Washington State during the spring of 1993. Excellent agreement was achieved for cloud liquid water content measured by two instruments. Substantial downward liquid water fluxes of 1mm per 24 h were measured at night during "steady and continuous" cloud events, about twice the magnitude of those measured by Beswick etal. in Scotland. Cloud water chemical fluxes were estimated to represent up to 50% of the chemical deposition associated with precipitation at the site. An observed size-dependence in the turbulent liquid water fluxes suggested that both droplet impaction, which leads to downward fluxes, and phase change processes, which can lead to upward fluxes, consistently are important contributors to the eddy correlation results. The diameter below which phase change processes were important to observed fluxes was shown to depend upon σL, the relative standard deviation of the liquid water content (LWC) within a 30-min averaging period. The crossover from upward to downward LW flux occurs at 8µm for steady and continuous cloud events but at 13µm for events with a larger degree of LWC variability. This comparison of the two types of cloud events suggested that evaporation was the most likely cause of upward droplet fluxes for the smaller droplets (dia<13µm) during cloud with variable LWC (σL>0.3).

A comparison of Aqua MODIS ice and liquid water cloud physical and optical properties between collection 6 and collection 5.1: Pixel-to-pixel comparisons

NASA Astrophysics Data System (ADS)

Yi, Bingqi; Rapp, Anita D.; Yang, Ping; Baum, Bryan A.; King, Michael D.

2017-04-01

We compare differences in ice and liquid water cloud physical and optical properties between Aqua Moderate Resolution Imaging Spectroradiometer (MODIS) collection 6 (C6) and collection 5.1 (C51). The C6 cloud products changed significantly due to improved calibration, improvements based on comparisons with the Cloud-Aerosol Lidar with Orthogonal Polarization, treatment of subpixel liquid water clouds, introduction of a roughened ice habit for C6 rather than the use of smooth ice particles in C51, and more. The MODIS cloud products form a long-term data set for analysis, modeling, and various purposes. Thus, it is important to understand the impact of the changes. Two cases are considered for C6 to C51 comparisons. Case 1 considers pixels with valid cloud retrievals in both C6 and C51, while case 2 compares all valid cloud retrievals in each collection. One year (2012) of level-2 MODIS cloud products are examined, including cloud effective radius (CER), optical thickness (COT), water path, cloud top pressure (CTP), cloud top temperature, and cloud fraction. Large C6-C51 differences are found in the ice CER (regionally, as large as 15 μm) and COT (decrease in annual average by approximately 25%). Liquid water clouds have higher CTP in marine stratocumulus regions in C6 but lower CTP globally (-5 hPa), and there are 66% more valid pixels in C6 (case 2) due to the treatment of pixels with subpixel clouds. Simulated total cloud radiative signatures from C51 and C6 are compared to Clouds and the Earth's Radiant Energy System Energy Balanced And Filled (EBAF) product. The C6 CREs compare more closely with the EBAF than the C51 counterparts.

Uranyl adsorption kinetics within silica gel: dependence on flow velocity and concentration

NASA Astrophysics Data System (ADS)

Dodd, Brandon M.; Tepper, Gary

2017-09-01

Trace quantities of a uranyl dissolved in water were measured using a simple optical method. A dilute solution of uranium nitrate dissolved in water was forced through nanoporous silica gel at fixed and controlled water flow rates. The uranyl ions deposited and accumulated within the silica gel and the uranyl fluorescence within the silica gel was monitored as a function of time using a light emitting diode as the excitation source and a photomultiplier tube detector. It was shown that the response time of the fluorescence output signal at a particular volumetric flow rate or average liquid velocity through the silica gel can be used to quantify the concentration of uranium in water. The response time as a function of concentration decreased with increasing flow velocity.

Insights in the analytical performance of neat metal-organic frameworks in the determination of pollutants of different nature from waters using dispersive miniaturized solid-phase extraction and liquid chromatography.

PubMed

Rocío-Bautista, Priscilla; Pino, Verónica; Pasán, Jorge; López-Hernández, Irene; Ayala, Juan H; Ruiz-Pérez, Catalina; Afonso, Ana M

2018-03-01

Five metal-organic frameworks (MOFs), specifically HKUST-1, MOF-5(Zn), MIL-53(Al), UiO-64 and MOF-74(Zn) are synthesized, characterized, and utilized in a miniaturized solid-phase extraction method under dispersive mode (D-µSPE) for the determination of six pollutants of different nature, including one polycyclic aromatic hydrocarbon, two hormones, two drugs, and one disinfectant, from environmental waters (tap water and wastewater). A discussion of possible interactions justifying the partitioning of target analytes to the MOFs is included, considering not only the analytes' physicochemical characteristics but also those of MOFs: metal nature, structural environment of MOF pores, pore size and pore aperture widths, among others. MIL-53(Al) is selected for its versatility and high extraction efficiency for the target compounds. The D-µSPE method using MIL-53(Al) is optimized and used in combination with high-performance liquid chromatography (HPLC) with diode array detector (DAD) or liquid-chromatography with time-of-flight mass spectrometric detector (LC-TOF). Under optimum conditions, only 5mg of MIL-53(Al) are required for 10mL of water, with the aid of 5min of vortex and 5min of centrifugation. Elution is accomplished with 200µL of acetonitrile (3 times), and evaporation down to 100µL before LC injection. Detection limits down to 0.040μgL -1 for triclosan and 0.013μgL -1 for atrazine are obtained for the entire method using HPLC-DAD and LC-TOF, respectively. The method, operating at low spiked levels (2µgL -1 for HPLC-DAD and 0.7µgL -1 for LC-TOF), is also characterized for average relative recoveries of 109% and 105%; relative standard deviation values lower than 8.7% and 7.5%; and average extraction efficiencies of 41.2% and 49.1%; using HPLC-DAD and LC-TOF, respectively; while demonstrating adequate analytical performance with complex samples such as wastewaters. Copyright © 2017 Elsevier B.V. All rights reserved.

Chemical composition of polluted mist droplets

NASA Astrophysics Data System (ADS)

Igawa, Manabu; Kamijo, Kosuke; Nanzai, Ben; Matsumoto, Kiyoshi

2017-12-01

Mist events occur frequently worldwide, but the chemical characteristics of the mist droplets has never been investigated because of very low liquid water contents of them. We estimated the concentrations of the mist water, the average concentration of the mist droplets, via the determination of water-soluble components of the coarse aerosol and the observation of the imprints of the droplets on a MgO-coated glass slide. The pH of the mist water was estimated from the equilibrium calculation with the data of the Gran plot of the solution of the dissolved coarse particles, the inorganic ion concentrations of aerosol larger than 10 μm, and the estimated volume of mist water. The mist water was measured as about 1 eq/L total concentration for typical inorganic ions and about pH 4.5 in Yokohama. Such highly concentrated mist droplets may have intense environmental effects.

Dithizone-functionalized solid phase extraction-displacement elution-high performance liquid chromatography-inductively coupled plasma mass spectrometry for mercury speciation in water samples.

PubMed

Yin, Yong-guang; Chen, Ming; Peng, Jin-feng; Liu, Jing-fu; Jiang, Gui-bin

2010-06-15

A novel and simple solid phase extraction (SPE)-high performance liquid chromatography (HPLC)-inductively coupled plasma mass spectrometry (ICP-MS) method was developed for determination of inorganic mercury (IHg), methylmercury MeHg and ethylmercury (EtHg) in water samples in the present work. The procedure involves pre-functionalization of the commercially available C18 SPE column with dithizone, loading water sample, displacement elution of mercury species by Na(2)S(2)O(3) solution, followed by HPLC-ICP-MS determination. Characterization and optimization of operation parameters of this new SPE procedure were discussed, including eluting reagent selection, concentration of eluting reagent, volume of eluting reagent, effect of NaCl and humic acid in sample matrix. At optimized conditions, the detection limits of mercury species for 100mL water sample were about 3ngL(-1) and the average recoveries were 93.7, 83.4, and 71.7% for MeHg, IHg and EtHg, respectively, by spiking 0.2microgL(-1) mercury species into de-ion water. Stability experiment reveals that both the dithizone-functionalized SPE cartridge and the mercury species incorporated were stable in the storage procedure. These results obtained demonstrate that SPE-HPLC-ICP-MS is a simple and sensitive technique for the determination of mercury species at trace level in water samples with high reproducibility and accuracy.

Towards tributyltin quantification in natural water at the Environmental Quality Standard level required by the Water Framework Directive.

PubMed

Alasonati, Enrica; Fettig, Ina; Richter, Janine; Philipp, Rosemarie; Milačič, Radmila; Sčančar, Janez; Zuliani, Tea; Tunç, Murat; Bilsel, Mine; Gören, Ahmet Ceyhan; Fisicaro, Paola

2016-11-01

The European Union (EU) has included tributyltin (TBT) and its compounds in the list of priority water pollutants. Quality standards demanded by the EU Water Framework Directive (WFD) require determination of TBT at so low concentration level that chemical analysis is still difficult and further research is needed to improve the sensitivity, the accuracy and the precision of existing methodologies. Within the frame of a joint research project "Traceable measurements for monitoring critical pollutants under the European Water Framework Directive" in the European Metrology Research Programme (EMRP), four metrological and designated institutes have developed a primary method to quantify TBT in natural water using liquid-liquid extraction (LLE) and species-specific isotope dilution mass spectrometry (SSIDMS). The procedure has been validated at the Environmental Quality Standard (EQS) level (0.2ngL(-1) as cation) and at the WFD-required limit of quantification (LOQ) (0.06ngL(-1) as cation). The LOQ of the methodology was 0.06ngL(-1) and the average measurement uncertainty at the LOQ was 36%, which agreed with WFD requirements. The analytical difficulties of the method, namely the presence of TBT in blanks and the sources of measurement uncertainties, as well as the interlaboratory comparison results are discussed in detail. Copyright © 2016 Elsevier B.V. All rights reserved.

[Determination of 49 drugs and 5 metabolites in drinking water samples using ultra-high performance liquid chromatography-electrospray ionization tandem mass spectrometry].

PubMed

Wang, Shuo; Zhang, Xiangming; Zhang, Jing; Shao, Bing; Li, Shuming

2015-07-01

A method for the determination of 54 drugs in drinking water samples was developed by using ultra-high performance liquid chromatography-electrospray ionization tandem mass spectrometry (UPLC-ESI MS/MS). The target drugs in drinking water samples were enriched and cleaned-up by HLB solid-phase extraction (SPE) cartridges and then eluted with 5 mL methanol. The elute was collected, concentrated under a gentle stream of nitrogen gas, diluted with 0.4 mL 0.1% formic acid solution, and analyzed by UPLC-ESI MS/MS. The separation of the 54 drugs was performed on an ACQUITY UPLC™ BEH C18 column using mobile phases of 0.1% formic acid and methanol by gradient elution. The multiple reaction monitoring (MRM) mode was employed in mass spectrometry acquisition. The matrix-matched external standard calibration was used for quantitation. The results showed that the average recoveries of the drugs in ground water, tap water and surface water were 58.7%-104.4%, 53.1%-109.5%, and 50.7%-118.8%, respectively, and the corresponding relative standard deviations (RSD, n=6) were 0.3%-12.8%, 1.0%-15.5%, and 0.4%-19.3%, respectively. The method quantification limits (MQL) for target compounds were in the range of 0.002-5.000 ng/L. The developed method was applied to analyze the water samples from Beijing. The results showed that 26 drugs were detected in ground water samples.

40 CFR Table 2 to Subpart Kkkkk of... - Operating Limits

Code of Federal Regulations, 2011 CFR

2011-07-01

.... Maintain the average scrubber pressure drop for each 3-hour block period at or above the average pressure drop established during the performance test; andb. Maintain the average scrubber liquid pH for each 3-hour block period at or above the average scrubber liquid pH established during the performance test...

Artificial sweetener sucralose in U.S. drinking water systems.

PubMed

Mawhinney, Douglas B; Young, Robert B; Vanderford, Brett J; Borch, Thomas; Snyder, Shane A

2011-10-15

The artificial sweetener sucralose has recently been shown to be a widespread of contaminant of wastewater, surface water, and groundwater. In order to understand its occurrence in drinking water systems, water samples from 19 United States (U.S.) drinking water treatment plants (DWTPs) serving more than 28 million people were analyzed for sucralose using liquid chromatography tandem mass spectrometry (LC-MS/MS). Sucralose was found to be present in source water of 15 out of 19 DWTPs (47-2900 ng/L), finished water of 13 out of 17 DWTPs (49-2400 ng/L) and distribution system water of 8 out of the 12 DWTPs (48-2400 ng/L) tested. Sucralose was only found to be present in source waters with known wastewater influence and/or recreational usage, and displayed low removal (12% average) in the DWTPs where finished water was sampled. Further, in the subset of DWTPs with distribution system water sampled, the compound was found to persist regardless of the presence of residual chlorine or chloramines. In order to understand intra-DWTP consistency, sucralose was monitored at one drinking water treatment plant over an 11 month period from March 2010 through January 2011, and averaged 440 ng/L in the source water and 350 ng/L in the finished water. The results of this study confirm that sucralose will function well as an indicator compound for anthropogenic influence on source, finished drinking and distribution system (i.e., tap) water, as well as an indicator compound for the presence of other recalcitrant compounds in finished drinking water in the U.S.

New results on water in bulk, nanoconfined, and biological environments

NASA Astrophysics Data System (ADS)

Stanley, H. E.; Kumar, Pradeep; Xu, Limei; Yan, Zhenyu; Mazza, Marco 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. Despite decades of research, however, water's puzzling properties are not understood and 63 anomalies that distinguish water from other liquids remain unsolved. We present evidence from experiments and computer simulations supporting the hypothesis that water displays polyamorphism, i.e., water separates into two distinct liquid phases. This concept of a new liquid-liquid 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 biomolecule.

Liquid chromatographic determination of histamine in fish, sauerkraut, and wine: interlaboratory study.

PubMed

Beljaars, P R; Van Dijk, R; Jonker, K M; Schout, L J

1998-01-01

An interlaboratory study of the liquid chromatographic (LC) determination of histamine in fish, sauerkraut, and wine was conducted. Diminuted and homogenized samples were suspended in water followed by clarification of extracts with perchloric acid, filtration, and dilution with water. After LC separation on a reversed-phase C18 column with phosphate buffer (pH 3.0)--acetonitrile (875 + 125, v/v) as mobile phase, histamine was measured fluorometrically (excitation, 340 nm; emission, 455 nm) in samples and standards after postcolumn derivatization with o-phthaldialdehyde (OPA). Fourteen samples (including 6 blind duplicates and 1 split level) containing histamine at about 10-400 mg/kg or mg/L were analyzed singly according to the proposed procedure by 11 laboratories. Results from one participant were excluded from statistical analysis. For all samples analyzed, repeatability relative standard deviations varied from 2.1 to 5.6%, and reproducibility relative standard deviations ranged from 2.2 to 7.1%. Averaged recoveries of histamine for this concentration range varied from 94 to 100%.

The Powdering Process with a Set of Ceramic Mills for Green Tea Promoted Catechin Extraction and the ROS Inhibition Effect.

PubMed

Fujioka, Kouki; Iwamoto, Takeo; Shima, Hidekazu; Tomaru, Keiko; Saito, Hideki; Ohtsuka, Masaki; Yoshidome, Akihiro; Kawamura, Yuri; Manome, Yoshinobu

2016-04-11

For serving green tea, there are two prominent methods: steeping the leaf or the powdered leaf (matcha style) in hot water. The purpose of the present study was to reveal chemical and functional differences before and after the powdering process of green tea leaf, since powdered green tea may contribute to expanding the functionality because of the different ingesting style. In this study, we revealed that the powdering process with a ceramic mill and stirring in hot water increased the average extracted concentration of epigallocatechin gallate (EGCG) by more than three times compared with that in leaf tea using high-performance liquid chromatography (HPLC) and liquid chromatography-tandem mass Spectrometry (LC-MS/MS) analyses. Moreover, powdered green tea has a higher inhibition effect of reactive oxygen species (ROS) production in vitro compared with the same amount of leaf tea. Our data suggest that powdered green tea might have a different function from leaf tea due to the higher catechin contents and particles.

Quasi 1-D Analysis of a Circular, Compressible, Turbulent Jet Laden with Water Droplets. Appendix C

NASA Technical Reports Server (NTRS)

2001-01-01

Recent experimental studies indicate that presence of small amount of liquid droplets reduces the Overall Sound Pressure Level (OASPL) of a jet. Present study is aimed at numerically investigating the effect of liquid particles on the overall flow quantities of a heated, compressible round jet. The jet is assumed perfectly expanded. A quasi-1D model was developed for this purpose which uses area-averaged quantities that satisfy integral conservation equations. Special attention is given to represent the early development region since it is acoustically important. Approximate velocity and temperature profiles were assumed in this region to evaluate entrainment rate. Experimental correlations were used to obtain spreading rate of shear layer. The base flow thus obtained is then laden with water droplets at the exit of the nozzle. Mass, momentum and energy coupling between the two phases is represented using empirical relations. Droplet size and mass loading are varied to observe their effect on flow variables.

Pentosan-derived water-soluble carbon nano dots with substantial fluorescence: Properties and application as a photosensitizer

NASA Astrophysics Data System (ADS)

Wu, Qiong; Li, Wei; Wu, Yanjiao; Huang, Zhanhua; Liu, Shouxin

2014-10-01

The hydrothermal carbonization of monosaccharides and polysaccharides is widely used in the production of carbonaceous material with a desired structure. However, the liquid products are regarded as waste and discarded. Here, we report a facile approach for the synthesis of water-soluble carbon nano dots (CNDs) with substantial fluorescence from the liquid by-products of the hydrothermal carbonization of pentosan, thus the by-products of pulp refining. The synthesized CNDs are monodispersed spheres with abundant oxygen-containing groups and they have an average size of 30 nm. Quantum yield measurements revealed CNDs with substantial green photoluminescence (PL) without passivation. Additionally, excitation was independent, pH-sensitive and stable. The use of CNDs as a photosensitizer in the CNDs/TiO2 system for methylene blue (MB) degradation under visible light irradiation is attractive. The spectral response range of the CNDs/TiO2 system can be widened from the UV region to a part of the visible light region (400-550 nm).

Cloud Inhomogeneity from MODIS

NASA Technical Reports Server (NTRS)

Oreopoulos, Lazaros; Cahalan, Robert F.

2004-01-01

Two full months (July 2003 and January 2004) of MODIS Atmosphere Level-3 data from the Terra and Aqua satellites are analyzed in order to characterize the horizontal variability of cloud optical thickness and water path at global scales. Various options to derive cloud variability parameters are discussed. The climatology of cloud inhomogeneity is built by first calculating daily parameter values at spatial scales of l degree x 1 degree, and then at zonal and global scales, followed by averaging over monthly time scales. Geographical, diurnal, and seasonal changes of inhomogeneity parameters are examined separately for the two cloud phases, and separately over land and ocean. We find that cloud inhomogeneity is weaker in summer than in winter, weaker over land than ocean for liquid clouds, weaker for local morning than local afternoon, about the same for liquid and ice clouds on a global scale, but with wider probability distribution functions (PDFs) and larger latitudinal variations for ice, and relatively insensitive to whether water path or optical thickness products are used. Typical mean values at hemispheric and global scales of the inhomogeneity parameter nu (roughly the mean over the standard deviation of water path or optical thickness), range from approximately 2.5 to 3, while for the inhomogeneity parameter chi (the ratio of the logarithmic to linear mean) from approximately 0.7 to 0.8. Values of chi for zonal averages can occasionally fall below 0.6 and for individual gridpoints below 0.5. Our results demonstrate that MODIS is capable of revealing significant fluctuations in cloud horizontal inhomogenity and stress the need to model their global radiative effect in future studies.

First validation of satellite microwave liquid water path with ship-based observations in marine low clouds

NASA Astrophysics Data System (ADS)

Painemal, D.; Cadeddu, M. P.; Greenwald, T. J.; Minnis, P.

2015-12-01

We present the first validation study of satellite microwave liquid water path, from four operational sensors, against in-situ observations from a ship-borne three-channel microwave radiometer collected over the northeast Pacific during May-August of 2013, along a ship transect length of 40˚ (33.7˚N, 118.2˚W - 21.3˚N, 157.8˚W). The satellite sensors analyzed here are: The Tropical Rainfall Measuring Mission (TRMM) Microwave Imager (TMI), Special Sensor Microwave Imager/Sounder (SSMIS) on the Defense Meteorological Satellite Program F16 and F17 satellites, and The Advanced Microwave Scanning Radiometer (AMSR-2) on board the Global Change Observation Mission - Water (GCOM-W1). Satellite retrievals show an overall correlation with hourly-averaged in-situ observations of 0.86 and a positive bias of 10.0 gm2, which decreases to 1.0 gm2 and a correlation that increases to 0.91 when selecting overcast scenes. The satellite bias for broken scenes remains below 22.2 gm2, although the removal of clear-sky in-situ samples yields an unbiased relationship. Satellites produce a diurnal cycle with amplitudes (35-47 gm2) consistent with ship-based observations. Longitudinal biases remain below 17.4 gm2, and they are negligible in overcast scenes and when clear-sky samples are removed from the in-situ hourly average. Our study indicates that satellite microwave retrievals are a reliable dataset for climate studies in marine warm low clouds. The implications for satellite visible/infrared retrievals will be also discussed.

Erosion Rates at the Mars Exploration Rover Landing Sites and Long-Term Climate Change on Mars

NASA Technical Reports Server (NTRS)

Golombek, M. P.; Grant, J. A.; Crumpler, L. S.; Greeley, R.; Arvidson, R. E.; Bell, J. F., III; Weitz, C. M.; Sullivan, R.; Christensen, P. R.; Soderblom, L. A.;

Erosion rates at the Mars Exploration Rover landing sites and long-term climate change on Mars

USGS Publications Warehouse

Golombek, M.P.; Grant, J. A.; Crumpler, L.S.; Greeley, R.; Arvidson, R. E.; Bell, J.F.; Weitz, C.M.; Sullivan, R.J.; Christensen, P.R.; Soderblom, L.A.; Squyres, S. W.

2006-01-01

Erosion rates derived from the Gusev cratered plains and the erosion of weak sulfates by saltating sand at Meridiani Planum are so slow that they argue that the present dry and desiccating environment has persisted since the Early Hesperian. In contrast, sedimentary rocks at Meridiani formed in the presence of groundwater and occasional surface water, and many Columbia Hills rocks at Gusev underwent aqueous alteration during the Late Noachian, approximately coeval with a wide variety of geomorphic indicators that indicate a wetter and likely warmer environment. Two-toned rocks, elevated ventifacts, and perched and undercut rocks indicate localized deflation of the Gusev plains and deposition of an equivalent amount of sediment into craters to form hollows, suggesting average erosion rates of ???0.03 nm/yr. Erosion of Hesperian craters, modification of Late Amazonian craters, and the concentration of hematite concretions in the soils of Meridiani yield slightly higher average erosion rates of 1-10 nm/yr in the Amazonian. These erosion rates are 2-5 orders of magnitude lower than the slowest continental denudation rates on Earth, indicating that liquid water was not an active erosional agent. Erosion rates for Meridiani just before deposition of the sulfate-rich sediments and other eroded Noachian areas are comparable with slow denudation rates on Earth that are dominated by liquid water. Available data suggest the climate change at the landing sites from wet and likely warm to dry and desiccating occurred sometime between the Late Noachian and the beginning of the Late Hesperian (3.7-3.5 Ga). Copyright 2006 by the American Geophysical Union.

Extraction and Liquid Chromatography-Tandem Mass Spectrometry Detection of 3-Monochloropropanediol Esters and Glycidyl Esters in Infant Formula.

PubMed

Leigh, Jessica K; MacMahon, Shaun

2016-12-14

A method was developed for the extraction of fatty acid esters of 3-chloro-1,2-propanediol (3-MCPD) and glycidol from infant formula, followed by quantitative analysis of the extracts using liquid chromatography-tandem mass spectrometry (LC-MS/MS). These process-induced chemical contaminants are found in refined vegetable oils, and studies have shown that they are potentially carcinogenic and/or genotoxic, making their presence in edible oils (and processed foods containing these oils) a potential health risk. The extraction procedure involves a liquid-liquid extraction, where powdered infant formula is dissolved in water and extracted with ethyl acetate. Following shaking, centrifugation, and drying of the organic phase, the resulting fat extract is cleaned-up using solid-phase extraction and analyzed by LC-MS/MS. Method performance was confirmed by verifying the percent recovery of each 3-MCPD and glycidyl ester in a homemade powdered infant formula reference material. Average ester recoveries in the reference material ranged from 84.9 to 109.0% (0.6-9.5% RSD). The method was also validated by fortifying three varieties of commercial infant formulas with a 3-MCPD and glycidyl ester solution. Average recoveries of the esters across all concentrations and varieties of infant formula ranged from 88.7 to 107.5% (1.0-9.5% RSD). Based on the validation results, this method is suitable for producing 3-MCPD and glycidyl ester occurrence data in all commercially available varieties of infant formula.

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.

[Determination of aspirin and free salicylic acid in lysinipirine injection by high performance liquid chromatography].

PubMed

Dong, Yu; Zhao, Yuan-zheng; Zhang, Yi-na

2002-05-01

The contents of aspirin and free salicylic acid in lysinipirine injection were determined by high performance liquid chromatography (HPLC). A Hypersil BDS C18 column was used with the mobile phase of methanol-water-acetic acid (35:65:3, volume ratio) and the detection wavelength of 280 nm. The average recoveries of aspirin and salicylic acid added were 99.27% (RSD = 0.8%) and 99.61%(RSD = 1.3%), respectively. The calibration curves had good linearity in the range of 0.028 g/L -0.141 mg/L and 0.77 mg/L -3.85 mg/L, and the correlation coefficients were 0.9999 and 0.9998 for aspirin and salicylic acid respectively.

Gas-liquid chromatographic determination of resmethrin in corn, cornmeal, flour, and wheat.

PubMed

Simonaitis, R A; Cail, R S

1975-09-01

A gas-liquid chromatographic (GLC) method was developed for the determination of residues of resmethrin ((5-benzyl-3-furyl)methyl cis-trans-(+/-)-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate) in corn, cornmeal, flour, and wheat. The commodity, fortified with resmethrin, was extracted by tumbling with pentane and transferred to acetonitrile, the fat was partitioned off, and the sample was chromatographed with 3% ethyl acetate in pentane on Florisil containing 0.5% water. The resmethrin residue was determined by GLC with a flame ionization detector. The results were compared with known standards that had undergone the same cleanup procedures. The method was sensitive to concentrations of resmethrin to 0.2 ppm, recoveries averaged 83%, and reproducibility was good.

Simultaneous determination of brazilin and protosappanin B in Caesalpinia sappan by ionic-liquid dispersive liquid-phase microextraction method combined with HPLC.

PubMed

Xia, Zhaoyang; Li, Dongdong; Li, Qing; Zhang, Yan; Kang, Wenyi

2017-11-13

The conditions of heating, ionic liquid-based ultrasonic-assisted extraction combined with reverse-phase high performance liquid chromatography were optimized to simultaneously isolate and determinate brazilin and protosappanin B in Caesalpinia sappan. Ionic liquids, including [BMIM]Br, [BMIM]BF 4 , [BMIM]PF 6 and [HMIM]PF 6 , were selected as extraction solvents while methanol, acetone, acetonitrile, ethanol and water were selected as dispersants. The chromatographic column was Purospher star RP-C 18 (250 mm × 4.6 mm, 5 μm), a mixture of methanol and 0.2% phosphoric acid-water was used as mobile phase at a flow rate 0.65 mL/min. The result displayed that the extraction yields of brazilin and protosappanin B were highest when the concentration of [BMIM]Br methanol solution as extraction solvent was 0.5 mol/L and the solid-liquid ratio was 1:50 (g/mL). Under the optimal extraction conditions, the contents of brazilin showed a good linearity (r = 1.0000) within the range of 1.25-7.50 μg with the average recovery of 99.33%, the contents of protosappanin B also showed a good linearity (r = 0.9999) within the range of 0.50-3.00 μg with the average recovery of 98.31%. This experiment, which adopted environmentally friendly reagent as extraction solvent, not only improved the extraction efficiency, but also avoided the environmental pollution caused by organic solvent. Moreover, it was simple and reliable, and can be of important significance in the study of Traditional Chinese Medicine active ingredient extraction methods. The antibacterial activities of the ionic liquids and methanol extracts were determined using the paper disc diffusion method. The ionic liquid extract was found to possess antibacterial activity against Staphylococcus aureus and methicillin-resistant S. aureus (MIC value of 37.5 mg crude drug/mL), β-Lactamase producing S. aureus (MIC values of 18.8 mg crude drug/mL), but not against E. coli, Extended spectrum β-Lactamases E. coli and P. aeruginosa. Compared with the ionic liquid extract, the methanol extract was found to have antibacterial activity against S. aureus and methicillin-resistant S. aureus (MIC value of 75.0 mg crude drug/mL), β-Lactamase producing S. aureus (MIC values of 150.0 mg crude drug/mL). However, the same, the methanol extract did not have antibacterial activity against E. coli, Extended spectrum β-Lactamases E. coli and P. aeruginosa.

Rapid residue analysis of oxathiapiprolin and its metabolites in typical Chinese soil, water, and sediments by a modified quick, easy, cheap, effective, rugged, and safe method with ultra high performance liquid chromatography and tandem mass spectrometry.

PubMed

Ju, Chao; Dong, Fengshou; Liu, Xingang; Wu, Xiaohu; Zhao, Huanhuan; Zheng, Yongquan; Xu, Jun

2015-03-01

A sensitive and effective method for the simultaneous determination of residues from a new fungicide, oxathiapiprolin, and its metabolites (IN-E8S72 and IN-WR791) in soil, water, and sediment, was developed using ultra high performance liquid chromatography with tandem mass spectrometry. Three compounds were extracted from water, soil, and sediment by using acetonitrile and different proportions of formic acid aqueous solution (1% v/v for water; 2% v/v for soil; and sediment), and were cleaned with octadecylsilane. The target compounds were determined within 5 min using an electrospray ionization source in the positive mode for oxathiapiprolin and in the negative mode for the two metabolites. The limits of quantification for all the three compounds were 0.1 μg/kg in water and 1 μg/kg in soil and sediment. Recovery studies were performed using three spiked levels (0.1, 1, and 10 μg/kg for water; 1, 10, and 50 μg/kg for soil and sediment). The overall average recoveries ranged from 64.8 to 112.7% with all intra- and interday relative standard deviation values below 19.4 and 19.1%, respectively. The method validation confirmed that the proposed method was convenient and reliable for determining residual oxathiapiprolin and its metabolites in soil, water, and sediments. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Transport of lincomycin to surface and ground water from manure-amended cropland.

PubMed

Kuchta, Sandra L; Cessna, Allan J; Elliott, Jane A; Peru, Kerry M; Headley, John V

2009-01-01

Livestock manure containing antimicrobials becomes a possible source of these compounds to surface and ground waters when applied to cropland as a nutrient source. The potential for transport of the veterinary antimicrobial lincomycin to surface waters via surface runoff and to leach to ground water was assessed by monitoring manure-amended soil, simulated rainfall runoff, snowmelt runoff, and ground water over a 2-yr period in Saskatchewan, Canada, after fall application of liquid swine manure to cropland. Liquid chromatography tandem mass spectrometry was used to quantify lincomycin in all matrix extracts. Initial concentrations in soil (46.3-117 mug kg(-1)) were not significantly different (p > 0.05) for manure application rates ranging from 60,000 to 95,000 L ha(-1) and had decreased to nondetectable levels by mid-summer the following year. After fall manure application, lincomycin was present in all simulated rainfall runoff (0.07-2.7 mug L(-1)) and all snowmelt runoff (0.038-3.2 mug L(-1)) samples. Concentrations in snowmelt runoff were not significantly different from those in simulated rainfall runoff the previous fall. On average, lincomycin concentrations in ephemeral wetlands dissipated by 50% after 31 d. Concentrations of lincomycin in ground water were generally <0.005 mug L(-1). This study demonstrates that the management practice of using livestock manure from confined animal feeding operations as a plant nutrient source on cropland may result in antimicrobial transport to surface and ground waters.

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.

Microcapsules fabricated from liquid marbles stabilized with latex particles.

PubMed

Ueno, Kazuyuki; Hamasaki, Sho; Wanless, Erica J; Nakamura, Yoshinobu; Fujii, Syuji

2014-03-25

Millimeter- and centimeter-sized "liquid marbles" were readily prepared by rolling water droplets on a powder bed of dried submicrometer-sized polystyrene latex particles carrying poly[2-(diethylamino)ethyl methacrylate] hairs (PDEA-PS). Scanning electron microscopy studies indicated that flocs of the PDEA-PS particles were adsorbed at the surface of these water droplets, leading to stable spherical liquid marbles. The liquid marbles were deformed as a result of water evaporation to adopt a deflated spherical geometry, and the rate of water evaporation decreased with increasing atmospheric relative humidity. Conversely, liquid marbles formed using saturated aqueous LiCl solution led to atmospheric water absorption by the liquid marbles and a consequent mass increase. The liquid marbles can be transformed into polymeric capsules containing water by exposure to solvent vapor: the PDEA-PS particles were plasticized with the solvent vapor to form a polymer film at the air-water interface of the liquid marbles. The polymeric capsules with aqueous volumes of 250 μL or less kept their oblate ellipsoid/near spherical shape even after complete water evaporation, which confirmed that a rigid polymeric capsule was successfully formed. Both the rate of water evaporation from the pure water liquid marbles and the rate of water adsorption into the aqueous LiCl liquid marbles were reduced with an increase of solvent vapor treatment time. This suggests that the number and size of pores within the polymer particles/flocs on the liquid marble surface decreased due to film formation during exposure to organic solvent vapor. In addition, organic-inorganic composite capsules and colloidal crystal capsules were fabricated from liquid marbles containing aqueous SiO2 dispersions.

Rapid residue analysis of four triazolopyrimidine herbicides in soil, water, and wheat by ultra-performance liquid chromatography coupled to tandem mass spectrometry.

PubMed

Liu, Xingang; Xu, Jun; Li, Yuanbo; Dong, Fengshou; Li, Jing; Song, Wenchen; Zheng, Yongquan

2011-03-01

A sensitive and effective method for simultaneous determination of triazolopyrimidine sulfonamide herbicide residues in soil, water, and wheat was developed using ultra-performance liquid chromatography coupled with tandem mass spectrometry. The four herbicides (pyroxsulam, flumetsulam, metosulam, and diclosulam) were cleaned up with an off-line C18 SPE cartridge and detected by tandem mass spectrometry using an electrospray ionization source in positive mode (ESI+). The determination of the target compounds was achieved in <2.0 min. The limits of detection were below 1 μg kg(-1), while the limits of quantification did not exceed 3 μg kg(-1) in different matrices. Quantitation was determined from calibration curves of standards containing 0.05-100 μg L(-1) with r(2) > 0.997. Recovery studies were conducted at three spiked levels (0.2, 1, and 5 μg kg(-1) for water; 5, 10, and 100 μg kg(-1) for soil and wheat). The overall average recoveries for this method in water, soil, wheat plants, and seeds at three levels ranged from 75.4% to 106.0%, with relative standard deviations in the range of 2.1-12.5% (n = 5) for all analytes.

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.

Liquid-air partition coefficients of 1,1-difluoroethane (HFC152a), 1,1,1-trifluoroethane (HFC143a), 1,1,1,2-tetrafluoroethane (HFC134a), 1,1,1,2,2-pentafluoroethane (HFC125) and 1,1,1,3,3-pentafluoropropane (HFC245fa).

PubMed

Ernstgård, Lena; Lind, Birger; Andersen, Melvin E; Johanson, Gunnar

2010-01-01

Blood-air and tissue-blood coefficients (lambda) are essential to characterize the uptake and disposition of volatile substances, e.g. by physiologically based pharmacokinetic (PBPK) modelling. Highly volatile chemicals, including many hydrofluorocarbons (HFC) have low solubility in liquid media. These characteristics pose challenges for determining lambda values. A modified head-space vial equilibrium method was used to determine lambda values for five widely used HFCs. The method is based on automated head-space gas chromatography and injection of equal amount of chemical in two head-space vials with identical air phase volumes but different volumes of the liquid phase. The liquids used were water (physiological saline), fresh human blood, and olive oil. The average lambda values (n = 8) were as follows: 1,1-difluoroethane (HFC152a) - 1.08 (blood-air), 1.11 (water-air) and 5.6 (oil-air); 1,1,1-trifluoroethane (HFC143a) - 0.15, 0.15 and 1.90; 1,1,1,2-tetrafluoroethane (HFC134a) - 0.36, 0.35 and 3.5; 1,1,1,2,2-pentafluoroethane (HFC125) - 0.083, 0.074 and 1.71; and 1,1,1,3,3-pentafluoropropane (HFC245fa) - 0.62, 0.58 and 12.1. The lambda values appeared to be concentration-independent in the investigated range (2-200 ppm). In spite of the low lambda values, the method errors were modest, with coefficients of variation of 9, 11 and 10% for water, blood and oil, respectively.

Ultrasound-assisted dispersive liquid-liquid microextraction for the determination of synthetic musk fragrances in aqueous matrices by gas chromatography-mass spectrometry.

PubMed

Homem, Vera; Alves, Alice; Alves, Arminda; Santos, Lúcia

2016-01-01

A rapid and simple method for the simultaneous determination of twelve synthetic musks in water samples, using ultrasound-assisted dispersive liquid-liquid microextraction (UA-DLLME) coupled with gas chromatography-mass spectrometry (GC-MS) was successfully developed. The influence of seven factors (volume of the extraction solvent and disperser solvent, sample volume, extraction time, ionic strength, type of extraction and disperser solvent) affecting the UA-DLLME extraction efficiency was investigated using a screening design. The significant factors were selected and optimised employing a central composite design: 80 μL of chloroform, 880 μL of acetonitrile, 6 mL of sample volume, 3.5% (wt) of NaCl and 2 min of extraction time. Under the optimised conditions, this methodology was successfully validated for the analysis of 12 synthetic musk compounds in different aqueous samples (tap, sea and river water, effluent and influent wastewater). The proposed method showed enrichment factors between 101 and 115 depending on the analyte, limits of detection in the range of 0.004-54 ng L(-1) and good repeatability (most relative standard deviation values below 10%). No significant matrix effects were found, since recoveries ranged between 71% and 118%. Finally, the method was satisfactorily applied to the analysis of five different aqueous samples. Results demonstrated the existence of a larger amount of synthetic musks in wastewaters than in other water samples (average concentrations of 2800 ng L(-1) in influent and 850 ng L(-1) in effluent). Galaxolide, tonalide and exaltolide were the compounds most detected. Copyright © 2015 Elsevier B.V. All rights reserved.

Permeation Resistance of Chlorinated Polyethylene Against Hydrazine Fuels

NASA Technical Reports Server (NTRS)

Waller, J. M.; Williams, J. H.

1999-01-01

The permeation resistance of chlorinated polyethylene (CPE) used in chemical protective clothing against the aerospace fuels hydrazine, monomethylhydrazine (MMH), and uns-dimethylhydrazine (UDMH) was determined by measuring breakthrough times and time-averaged vapor transmission rates using an ASTM F 739 permeation cell. Two exposure scenarios were simulated: a 2 hour (h) fuel vapor exposure, and a liquid fuel "splash" followed by a 2 h vapor exposure. To simulate internal suit pressure during operation, a positive differential pressure of 0.3 in. water (75 Pa) on the collection side of the permeation apparatus was used. Breakthrough was observed after exposure to liquid MMH, and to vapor and liquid UDMH. No breakthrough was observed after exposure to vapor and liquid hydrazine, or vapor MMH. A model was then used to calculate propellant concentrations inside a totally encapsulating chemical protective suit based on the ASTM permeation data obtained in the present study. Concentrations were calculated under conditions of fixed vapor transmission rate, variable breathing air flow rate, and variable splash exposure area. Calculations showed that the maximum allowable permeation rates of hydrazine fuels through CPE were of the order of 0.05 to 0.08 ng sq cm/min for encapsulating suits with low breathing air flow rates (of the order of 5 scfm or 140 L/min). Above these permeation rates, the 10 parts per billion (ppb) threshold limit value time - weighted average could be exceeded for chemical protective suits having a CPE torso. To evaluate suit performance at ppb level concentrations, use of a sensitive analytical method such as cation exchange high performance liquid chromatography with amperometric detection was found to be essential.

Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface.

PubMed

Bauer, Brad A; Warren, G Lee; Patel, Sandeep

2009-02-10

We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force field is a modification of the original TIP4P-FQ fluctuating charge water force field of Rick et al.(1) that self-consistently adjusts its atomic hardness parameters via a scaling function dependent on the M-site charge. The electronegativity (χ) parameters are also scaled in order to reproduce condensed-phase dipole moments of comparable magnitude to TIP4P-FQ. TIP4P-QDP is parameterized to reproduce experimental gas-phase and select condensed-phase properties. The TIP4P-QDP water model possesses a gas phase polarizability of 1.40 Å(3) and gas-phase dipole moment of 1.85 Debye, in excellent agreement with experiment and high-level ab initio predictions. The liquid density of TIP4P-QDP is 0.9954(±0.0002) g/cm(3) at 298 K and 1 atmosphere, and the enthalpy of vaporization is 10.55(±0.12) kcal/mol. Other condensed-phase properties such as the isobaric heat capacity, isothermal compressibility, and diffusion constant are also calculated within reasonable accuracy of experiment and consistent with predictions of other current state-of-the-art water force fields. The average molecular dipole moment of TIP4P-QDP in the condensed phase is 2.641(±0.001) Debye, approximately 0.02 Debye higher than TIP4P-FQ and within the range of values currently surmised for the bulk liquid. The dielectric constant, ε = 85.8 ± 1.0, is 10% higher than experiment. This is reasoned to be due to the increase in the condensed phase dipole moment over TIP4P-FQ, which estimates ε remarkably well. Radial distribution functions for TIP4P-QDP and TIP4P-FQ show similar features, with TIP4P-QDP showing slightly reduced peak heights and subtle shifts towards larger distance interactions. Since the greatest effects of the phase-dependent polarizability are anticipated in regions with both liquid and vapor character, interfacial simulations of TIP4P-QDP were performed and compared to TIP4P-FQ, a static polarizability analog. Despite similar features in density profiles such as the position of the GDS and interfacial width, enhanced dipole moments are observed for the TIP4P-QDP interface and onset of the vapor phase. Water orientational profiles show an increased preference (over TIP4P-FQ) in the orientation of the permanent dipole vector of the molecule within the interface; an enhanced z-induced dipole moment directly results from this preference. Hydrogen bond formation is lower, on average, in the bulk for TIP4P-QDP than TIP4P-FQ. However, the average number of hydrogen bonds formed by TIP4P-QDP in the interface exceeds that of TIP4P-FQ, and observed hydrogen bond networks extend further into the gaseous region. The TIP4P-QDP interfacial potential, calculated to be -11.98(±0.08) kcal/mol, is less favorable than that for TIP4P-FQ by approximately 2% as a result of a diminished quadrupole contribution. Surface tension is calculated within a 1.3% reduction from the experimental value. Results reported demonstrate TIP4P-QDP as a model comparable to the popular TIP4P-FQ while accounting for a physical effect previously neglected by other water models. Further refinements to this model, as well as future applications are discussed.

Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface

PubMed Central

Bauer, Brad A.; Warren, G. Lee; Patel, Sandeep

2012-01-01

We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force field is a modification of the original TIP4P-FQ fluctuating charge water force field of Rick et al.1 that self-consistently adjusts its atomic hardness parameters via a scaling function dependent on the M-site charge. The electronegativity (χ) parameters are also scaled in order to reproduce condensed-phase dipole moments of comparable magnitude to TIP4P-FQ. TIP4P-QDP is parameterized to reproduce experimental gas-phase and select condensed-phase properties. The TIP4P-QDP water model possesses a gas phase polarizability of 1.40 Å3 and gas-phase dipole moment of 1.85 Debye, in excellent agreement with experiment and high-level ab initio predictions. The liquid density of TIP4P-QDP is 0.9954(±0.0002) g/cm3 at 298 K and 1 atmosphere, and the enthalpy of vaporization is 10.55(±0.12) kcal/mol. Other condensed-phase properties such as the isobaric heat capacity, isothermal compressibility, and diffusion constant are also calculated within reasonable accuracy of experiment and consistent with predictions of other current state-of-the-art water force fields. The average molecular dipole moment of TIP4P-QDP in the condensed phase is 2.641(±0.001) Debye, approximately 0.02 Debye higher than TIP4P-FQ and within the range of values currently surmised for the bulk liquid. The dielectric constant, ε = 85.8 ± 1.0, is 10% higher than experiment. This is reasoned to be due to the increase in the condensed phase dipole moment over TIP4P-FQ, which estimates ε remarkably well. Radial distribution functions for TIP4P-QDP and TIP4P-FQ show similar features, with TIP4P-QDP showing slightly reduced peak heights and subtle shifts towards larger distance interactions. Since the greatest effects of the phase-dependent polarizability are anticipated in regions with both liquid and vapor character, interfacial simulations of TIP4P-QDP were performed and compared to TIP4P-FQ, a static polarizability analog. Despite similar features in density profiles such as the position of the GDS and interfacial width, enhanced dipole moments are observed for the TIP4P-QDP interface and onset of the vapor phase. Water orientational profiles show an increased preference (over TIP4P-FQ) in the orientation of the permanent dipole vector of the molecule within the interface; an enhanced z-induced dipole moment directly results from this preference. Hydrogen bond formation is lower, on average, in the bulk for TIP4P-QDP than TIP4P-FQ. However, the average number of hydrogen bonds formed by TIP4P-QDP in the interface exceeds that of TIP4P-FQ, and observed hydrogen bond networks extend further into the gaseous region. The TIP4P-QDP interfacial potential, calculated to be -11.98(±0.08) kcal/mol, is less favorable than that for TIP4P-FQ by approximately 2% as a result of a diminished quadrupole contribution. Surface tension is calculated within a 1.3% reduction from the experimental value. Results reported demonstrate TIP4P-QDP as a model comparable to the popular TIP4P-FQ while accounting for a physical effect previously neglected by other water models. Further refinements to this model, as well as future applications are discussed. PMID:23133341

Correlations between water-soluble organic aerosol and water vapor: a synergistic effect from biogenic emissions?

PubMed

Hennigan, Christopher J; Bergin, Michael H; Weber, Rodney J

2008-12-15

Ground-based measurements of meteorological parameters and water-soluble organic carbon in the gas(WSOCg) and particle (WSOCp) phases were carried out in Atlanta, Georgia, from May to September 2007. Fourteen separate events were observed throughout the summer in which WSOCp and water vapor concentrations were highly correlated (average WSOCp-water vapor r = 0.92); however, for the entire summer, no well-defined relationship existed between the two. The correlation events, which lasted on average 19 h, were characterized by a wide range of WSOCp and water vapor concentrations. Several hypotheses for the correlation are explored, including heterogeneous liquid phase SOA formation and the co-emission of biogenic VOCs and water vapor. The data provide supporting evidence for contributions from both and suggest the possibility of a synergistic effect between the co-emission of water vapor and VOCs from biogenic sources on SOA formation. Median WSOCp concentrations were also correlated with elemental carbon (EC), although this correlation extended over the entire summer. Despite the emission of water vapor from anthropogenic mobile sources and the WSOCp-EC correlation, mobile sources were not considered a potential cause for the WSOCp-water vapor correlations because of their low contribution to the water vapor budget. Meteorology could perhaps have influenced the WSOCp-EC correlation, but other factors are implicated as well. Overall, the results suggest that the temperature-dependent co-emission of water vapor through evapotranspiration and SOA precursor-VOCs by vegetation may be an important process contributing to SOA in some environments.

Isotopic composition of water vapor near the air-water interface

NASA Astrophysics Data System (ADS)

Zannoni, Daniele; Bergamasco, Andrea; Peschiutta, Mirco; Rampazzo, Giancarlo; Stenni, Barbara

2017-04-01

Evaporation is a key process in water cycle that links liquid water to the atmosphere. In the last fifty years stable isotopes of hydrogen and oxygen have been intensively used to describe climate processes related to evaporation and precipitation, ranging in different spatial and temporal scales. Evaporation introduces large isotopic effects in the phases involved. The well known Craig-Gordon model (Craig & Gordon, 1965) describes those isotopic effects involving several steps and different processes, moving from the air-water interface to the free atmosphere. However, very few works in literature have tested the vertical behavior of the Craig-Gordon model in natural conditions on both fresh and marine waters. In this work we present the results from four field experiments aimed to describe the vertical variability of δ18O and δD in the first few meters over a large water body (the coastal lagoon of Venice, northern Italy) and to test the Craig-Gordon model in such conditions. Each experiment involved cryotrapping of water vapor at different height over the water surface (0.1m, 2m and 4m) and the sampling of the liquid water at two depth (surface and 0.5m). During the experiments, water vapor was also sampled in the nearest mainland (˜2.5 km from gradient measurements) to determine the isotopic composition of background water vapor. Liquid samples were then analyzed with a Picarro L1102-i and Thermo-Fisher Delta Plus Advantage for water vapor and lagoon water, respectively. The last two experiments have also involved simultaneous measurements of relative humidity using commercially-available humidity probes at each height. This approach was used to determine a reference scale in order to compare observations to modeled estimates. Despite the coarse time resolution due to cryotrapping method (measurements are averaged over 1.5 hours), preliminary results show measurable differences in the isotopic composition of water vapor along the vertical gradient and good agreement between observations and predicted values from the model. Even if this work is an exploratory phase it shows an interesting potential to grow our understanding of the processes involved as well as a useful implementation for future studies focused on fractionation of water isotopes due to evaporation in natural conditions. References Craig, H., & Gordon, L. I. (1965). Deuterium and oxygen 18 variations in the ocean and the marine atmosphere.

Cloud Liquid Water Path Comparisons from Passive Microwave and Solar Reflectance Satellite Measurements: Assessment of Sub-Field-of-View Cloud Effects in Microwave Retrievals

NASA Technical Reports Server (NTRS)

Greenwald, Thomas J.; Christopher, Sundar A.; Chou, Joyce

1997-01-01

Satellite observations of the cloud liquid water path (LWP) are compared from special sensor microwave imager (SSM/I) measurements and GOES 8 imager solar reflectance (SR) measurements to ascertain the impact of sub-field-of-view (FOV) cloud effects on SSM/I 37 GHz retrievals. The SR retrievals also incorporate estimates of the cloud droplet effective radius derived from the GOES 8 3.9-micron channel. The comparisons consist of simultaneous collocated and full-resolution measurements and are limited to nonprecipitating marine stratocumulus in the eastern Pacific for two days in October 1995. The retrievals from these independent methods are consistent for overcast SSM/I FOVS, with RMS differences as low as 0.030 kg/sq m, although biases exist for clouds with more open spatial structure, where the RMS differences increase to 0.039 kg/sq m. For broken cloudiness within the SSM/I FOV the average beam-filling error (BFE) in the microwave retrievals is found to be about 22% (average cloud amount of 73%). This systematic error is comparable with the average random errors in the microwave retrievals. However, even larger BFEs can be expected for individual FOVs and for regions with less cloudiness. By scaling the microwave retrievals by the cloud amount within the FOV, the systematic BFE can be significantly reduced but with increased RMS differences of O.046-0.058 kg/sq m when compared to the SR retrievals. The beam-filling effects reported here are significant and are expected to impact directly upon studies that use instantaneous SSM/I measurements of cloud LWP, such as cloud classification studies and validation studies involving surface-based or in situ data.

Utilization of highly robust and selective crosslinked polymeric ionic liquid-based sorbent coatings in direct-immersion solid-phase microextraction and high-performance liquid chromatography for determining polar organic pollutants in waters.

PubMed

Pacheco-Fernández, Idaira; Najafi, Ali; Pino, Verónica; Anderson, Jared L; Ayala, Juan H; Afonso, Ana M

2016-09-01

Several crosslinked polymeric ionic liquid (PIL)-based sorbent coatings of different nature were prepared by UV polymerization onto nitinol wires. They were evaluated in a direct-immersion solid-phase microextraction (DI-SPME) method in combination with high-performance liquid chromatography (HPLC) and diode array detection (DAD). The studied PIL coatings contained either vinyl alkyl or vinylbenzyl imidazolium-based (ViCnIm- or ViBCnIm-) IL monomers with different anions, as well as different dicationic IL crosslinkers. The analytical performance of these PIL-based SPME coatings was firstly evaluated for the extraction of a group of 10 different model analytes, including hydrocarbons and phenols, while exhaustively comparing the performance with commercial SPME fibers such as polydimethylsyloxane (PDMS), polyacrylate (PA) and polydimethylsiloxane/divinylbenzene (PDMS/DVB), and using all fibers under optimized conditions. Those fibers exhibiting a high selectivity for polar compounds were selected to carry out an analytical method for a group of 5 alkylphenols, including bisphenol-A (BPA) and nonylphenol (n-NP). Under optimum conditions, average relative recoveries of 108% and inter-day precision values (3 non-consecutive days) lower than 19% were obtained for a spiked level of 10µgL(-1). Correlations coefficients for the overall method ranged between 0.990 and 0.999, and limits of detection were down to 1µgL(-1). Tap water, river water, and bottled water were analyzed to evaluate matrix effects. Comparison with the PA fiber was also performed in terms of analytical performance. Partition coefficients (logKfs) of the alkylphenols to the SPME coating varied from 1.69 to 2.45 for the most efficient PIL-based fiber, and from 1.58 to 2.30 for the PA fiber. These results agree with those obtained by the normalized calibration slopes, pointing out the affinity of these PILs-based coatings. Copyright © 2016 Elsevier B.V. All rights reserved.

Science of Nanofluidics and Energy Conversion

NASA Astrophysics Data System (ADS)

Xu, Baoxing

The emerging subject of nanofluidics, where solids and fluids interact closely at the nanoscale, has exhibited radically different from their macroscopic counterparts (and sometimes counterintuitive), and yet relatively less explored. On the other hand, the resulting unique properties may contribute to a number of innovative functions with fascinating applications. Among various exciting potential applications, an important and ever expanding one is to provide alternative solutions to energy conversion with high efficiency, including energy absorption, actuation and harvesting. In this dissertation, we first report a novel protection mechanism of energy capture through which an intensive impact or blast energy can be effectively mitigated based on a nonwetting liquid-nanoporous material system. The captured energy is stored in nanopores in the form of potential energy of intercalated water molecules for a while, and not necessarily converted to other forms of energy (e.g. heat). At unloading stage, the captured energy will be released gradually due to the hydrophobic inner surfaces of nanopores through the diffusion of water molecules out of nanopores, thus making this system reusable. Several key controlling factors including impacting velocity, nanopore size, nanopore structure, and liquid phase have been investigated on the capacity of energy capture. The molecular mechanism is elucidated through the study of water molecular distributions inside nanpores. These molecular dynamic (MD) findings are quantitatively verified by a parallel blast experiment on a zeolite/water system. During the transport of confined liquid molecules, the friction resistance exerted by solid atoms of nanopores to liquid molecules will dissipate part of energy, and is highly dependent of temperature of liquid molecules and wall morphology of nanopores. Using MD simulations, the effects of temperature and wall roughness on the transport resistance of water molecules inside nanopores are investigated in Chapter 3. The effective shear stress and nominal viscosity that dominate the nanofluidic transport resistance are extracted and coupled with the nanopore size, transport rate, and liquid property. The molecular-level mechanisms are revealed through the study of the density profile and hydrogen bonding of confined liquid molecules. A parallel experiment on a nanoporous carbon-liquid system is carried out and qualitatively verifies MD findings. Motived by the well-known thermo- and electro-capillary effect, Chapter 4 and Chapter 5 present a conceptual design of thermal and electric actuation system by adjusting the relative hydrophobicity of a liquid-nanoporous system through a thermal and electric field, respectively. The thermally and electrically dependent infiltration behaviors of liquids into nanopores are analyzed by using MD simulations. The fundamental molecular characteristics, including the density profile, contact angle, and surface tension of the confined liquid molecules, are examined to reveal underlying mechanisms. The energy density, power density, and efficiency of both thermal and electric actuation systems are explored and their variations with pore size, solid phase, and liquid phase are evaluated. Thermally and electrically controlled infiltration experiments on a zeolite-water /electrolyte solution system are performed accordingly to qualitatively validate these findings. These energy actuation systems can also become high density thermal or electric storage devices with proper designs. Energy harvesting by the flow of a hydrochloric acid-water solution through a nanopore is explored using atomistic simulations in the last chapter. Through ion configurations near the pore wall, an averaged ion drifting velocity is determined, and the induced voltage along the axial direction is obtained as a function of key material parameters, including the applied flow rate, environmental temperature, solution concentration and nanopore size. The molecular mechanism of ion hopping and motion is revealed. This study shed light on harvesting wasted thermal and mechanical energy from ambient environmental sources such as wasted heat in power plants. Nanofluidics is a novel and thriving research area, whose couplings with other disciplines such as material, mechanical, physical, chemical, electrical engineering are open.

Na(+) and Ca(2+) effect on the hydration and orientation of the phosphate group of DPPC at air-water and air-hydrated silica interfaces.

PubMed

Casillas-Ituarte, Nadia N; Chen, Xiangke; Castada, Hardy; Allen, Heather C

2010-07-29

Hydration and orientation of the phosphate group of dipalmitoylphosphatidylcholine (DPPC) monolayers in the liquid-expanded (LE) phase and the liquid-condensed (LC) phase in the presence of sodium ions and calcium ions was investigated with vibrational sum frequency generation (SFG) spectroscopy at the air-aqueous interface in conjunction with surface pressure measurements. In the LE phase, both sodium and calcium affect the phosphate group hydration. In the LC phase, however, sodium ions affect the phosphate hydration subtly, while calcium ions cause a marked dehydration. Silica-supported DPPC monolayers prepared by the Langmuir-Blodgett method reveal similar hydration behavior relative to that observed in the corresponding aqueous subphase for the case of water and in the presence of sodium ions. However, in the presence of calcium ions the phosphate group dehydration is greater than that from the corresponding purely aqueous CaCl(2) subphase. The average tilt angles from the surface normal of the PO(2)(-) group of DPPC monolayers on the water surface and on the silica substrate calculated from SFG data are found to be 59 degrees +/- 3 degrees and 72 degrees +/- 5 degrees , respectively. Orientation of the phosphate group is additionally affected by the presence of ions. These findings show that extrapolation of results obtained from model membranes from liquid surfaces to solid supports may not be warranted since there are differences in headgroup organization on the two subphases.

Routine determination of sulfonylurea, imidazolinone, and sulfonamide herbicides at nanogram-per-liter concentrations by solid-phase extraction and liquid chromatography/mass spectrometry

USGS Publications Warehouse

Furlong, E.T.; Burkhardt, M.R.; Gates, Paul M.; Werner, S.L.; Battaglin, W.A.

2000-01-01

Sulfonylurea (SU), imidazolinone (IMI), and sulfonamide (SA) herbicides are new classes of low-application-rate herbicides increasingly used by farmers. Some of these herbicides affect both weed and crop species at low dosages and must be carefully used. Less is known about the effect of these compounds on non-crop plant species, but a concentration of 100 ng/l in water has been proposed as the threshold for possible plant toxicity for most of these herbicides. Hence, analytical methods must be capable of detecting SUs, IMIs, and SAs at concentrations less than 100 ng/l in ambient water samples. The authors developed a two-cartridge, solid-phase extraction method for isolating 12 SU, 3 IMI, and 1 SA herbicides by using high-performance liquid chromatography/electrospray ionization-mass spectrometry (HPLC/ESI-MS) to identify and quantify these herbicides to 10 ng/l. This method was used to analyze 196 surface- and ground-water samples collected from May to August 1998 throughout the Midwestern United States, and more than 100 quality-assurance and quality-control samples. During the 16 weeks of the study, the HPLC/ESI-MS maintained excellent calibration linearity across the calibration range from 5 to 500 ng/l, with correlation coefficients of 0.9975 or greater. Continuing calibration verification standards at 100-ng/l concentration were analyzed throughout the study, and the average measured concentrations for individual herbicides ranged from 93 to 100 ng/l. Recovery of herbicides from 27 reagent-water samples spiked at 50 and 100 ng/l ranged from 39 to 92%, and averaged 73%. The standard deviation of recoveries ranged from 14 to 26%, and averaged 20%. This variability reflects multiple instruments, operators, and the use of automated and manual sample preparation. Spiked environmental water samples had similar recoveries, although for some herbicides, the sample matrix enhanced recoveries by as much as 200% greater than the spiked concentration. This matrix enhancement was sample- and compound-dependent. Concentrations of herbicides in unspiked duplicate environmental samples were typically within 25% of each other. The results demonstrate the usefulness of HPLC/ESI-MS for determining low-application-rate herbicides at ambient concentrations. Copyright (C) 2000 Elsevier Science B.V.

High frequency electromagnetism, heat transfer and fluid flow coupling in ANSYS multiphysics.

PubMed

Sabliov, Cristina M; Salvi, Deepti A; Boldor, Dorin

2007-01-01

The goal of this study was to numerically predict the temperature of a liquid product heated in a continuous-flow focused microwave system by coupling high frequency electromagnetism, heat transfer, and fluid flow in ANSYS Multiphysics. The developed model was used to determine the temperature change in water processed in a 915 MHz microwave unit, under steady-state conditions. The influence of the flow rates on the temperature distribution in the liquid was assessed. Results showed that the average temperature of water increased from 25 degrees C to 34 degrees C at 2 l/min, and to 42 degrees C at 1 l/min. The highest temperature regions were found in the liquid near the center of the tube, followed by progressively lower temperature regions as the radial distance from the center increased, and finally followed by a slightly higher temperature region near the tube's wall corresponding to the energy distribution given by the Mathieu function. The energy distribution resulted in a similar temperature pattern, with the highest temperatures close to the center of the tube and lower at the walls. The presented ANSYS Multiphysics model can be easily improved to account for complex boundary conditions, phase change, temperature dependent properties, and non-Newtonian flows, which makes for an objective of future studies.

Particle water and pH in the eastern Mediterranean: source variability and implications for nutrient availability

NASA Astrophysics Data System (ADS)

Bougiatioti, Aikaterini; Nikolaou, Panayiota; Stavroulas, Iasonas; Kouvarakis, Giorgos; Weber, Rodney; Nenes, Athanasios; Kanakidou, Maria; Mihalopoulos, Nikolaos

2016-04-01

Particle water (liquid water content, LWC) and aerosol pH are important parameters of the aerosol phase, affecting heterogeneous chemistry and bioavailability of nutrients that profoundly impact cloud formation, atmospheric composition, and atmospheric fluxes of nutrients to ecosystems. Few measurements of in situ LWC and pH, however, exist in the published literature. Using concurrent measurements of aerosol chemical composition, cloud condensation nuclei activity, and tandem light scattering coefficients, the particle water mass concentrations associated with the aerosol inorganic (Winorg) and organic (Worg) components are determined for measurements conducted at the Finokalia atmospheric observation station in the eastern Mediterranean between June and November 2012. These data are interpreted using the ISORROPIA-II thermodynamic model to predict the pH of aerosols originating from the various sources that influence air quality in the region. On average, closure between predicted aerosol water and that determined by comparison of ambient with dry light scattering coefficients was achieved to within 8 % (slope = 0.92, R2 = 0.8, n = 5201 points). Based on the scattering measurements, a parameterization is also derived, capable of reproducing the hygroscopic growth factor (f(RH)) within 15 % of the measured values. The highest aerosol water concentrations are observed during nighttime, when relative humidity is highest and the collapse of the boundary layer increases the aerosol concentration. A significant diurnal variability is found for Worg with morning and afternoon average mass concentrations being 10-15 times lower than nighttime concentrations, thus rendering Winorg the main form of particle water during daytime. The average value of total aerosol water was 2.19 ± 1.75 µg m-3, contributing on average up to 33 % of the total submicron mass concentration. Average aerosol water associated with organics, Worg, was equal to 0.56 ± 0.37 µg m-3; thus, organics contributed about 27.5 % to the total aerosol water, mostly during early morning, late evening, and nighttime hours.

The aerosol was found to be highly acidic with calculated aerosol pH varying from 0.5 to 2.8 throughout the study period. Biomass burning aerosol presented the highest values of pH in the submicron fraction and the lowest values in total water mass concentration. The low pH values observed in the submicron mode and independently of air mass origin could increase nutrient availability and especially P solubility, which is the nutrient limiting sea water productivity of the eastern Mediterranean.

Magnetic particles as liquid carriers in the microfluidic lab-in-tube approach to detect phase change.

PubMed

Blumenschein, Nicholas A; Han, Daewoo; Caggioni, Marco; Steckl, Andrew J

2014-06-11

Magnetic beads (MBs) with ∼1.9 μm average diameter were used to transport specific microliter-scale volumes of liquids between adjacent reservoirs within a closed tube under the influence of a magnetic field. The tube's inner surface is coated with a hydrophobic layer, enabling the formation of a surface tension valve by inserting an air gap between reservoirs. This transfer process was implemented by keeping the MBs stationary with a fixed external magnet while the liquid reservoirs were translated by a computer-controlled syringe pump system. The magnet induces the aggregation of MBs in a loosely packed cluster (void volume ∼90-95%) against the tube's inner wall. The liquid trapped in the MB cluster is transported across the air gap between reservoirs. Fluorescence intensity from a dye placed in one reservoir is used to measure the volume of liquid transferred between reservoirs. The carry-over liquid volume is controlled by the mass of the MBs within the device. The typical volume of liquid carried by the MB cluster is ∼2 to 3 μL/mg of beads, allowing the use of small samples. This technique can be used to study the effect of small compositional variation on the properties of fluid mixtures. The feasibility of this "lab-in-tube" approach for binary phase diagram determination in a water-surfactant (C12E5) system was demonstrated.

Combined membrane bioreactor (MBR) and reverse osmosis (RO) system for thin-film transistor-liquid crystal display TFT-LCD, industrial wastewater recycling.

PubMed

Chen, T K; Chen, J N

2004-01-01

In TFT-LCD industry, water plays a variety of roles as a cleaning agent and reaction solvent. As good quality water is increasingly a scarce resource and wastewater treatment costs rises, the once-through use of industrial water is becoming uneconomical and environmentally unacceptable. Instead, recycling of TFT-LCD industrial wastewater is become more attractive from both an economic and environmental perspective. This research is mainly to explore the capacity of TFT-LCD industrial wastewater recycling by the process combined with membrane bioreactor and reverse osmosis processes. Over the whole experimental period, the MBR process achieved a satisfactory organic removal. The COD could be removed with an average of over 97.3%. For TOC and BOD5 items, the average removal efficiencies were 97.8 and 99.4% respectively. The stable effluent quality and satisfactory removal performance were ensured by the efficient interception performance of the UF membrane device incorporated with biological reactor. Moreover, the MBR effluent did not contain any suspended solids and the SDI value was under 3. After treatment of RO, excellent water quality of permeate were under 5 mg/l, 2.5 mg/l and 150 micros/cm for COD, TOC and conductivity respectively. The treated water can be recycled for the cooling tower make-up water or other purposes.

Advances in Raman Lidar Measurements of Water Vapor, Cirrus Clouds and Carbon Dioxide

NASA Technical Reports Server (NTRS)

Whiteman, David N.; Potter, John R.; Tola, Rebecca; Rush, Kurt; Veselovskii, Igor; Cadirola, Martin; Comer, Joseph

2006-01-01

Narrow-band interference filters with improved transmission in the ultraviolet have been developed under NASA-funded research and used in the Raman Airborne Spectroscopic Lidar (RASL) in ground- based, upward-looking tests. RASL is an airborne Raman Lidar system designed to measure water vapor mixing ratio, and aerosol backscatter/extinction/depolarization. It also possesses the capability to make experimental measurements of cloud liquid water and carbon dioxide. It is being prepared for first flight tests during the summer of 2006. With the newly developed filters installed in RASL, measurements were made of atmospheric water vapor, cirrus cloud optical properties and carbon dioxide that improve upon any previously demonstrated using Raman lidar. Daytime boundary layer profiling of water vapor mixing ratio is performed with less than 5% random error using temporal and spatial resolution of 2-minutes and 60 - 210, respectively. Daytime cirrus cloud optical depth and extinction- to-backscatter ratio measurements are made using 1-minute average. Sufficient signal strength is demonstrated to permit the simultaneous profiling of carbon dioxide and water vapor mixing ratio into the free troposphere during the nighttime. Downward-looking from an airborne RASL should possess the same measurement statistics with approximately a factor of 5 - 10 decrease in averaging time. A description of the technology improvements are provided followed by examples of the improved Raman lidar measurements.

Analysis of the herbicide diuron, three diuron degradates, and six neonicotinoid insecticides in water-Method details and application to two Georgia streams

USGS Publications Warehouse

Hladik, Michelle; Calhoun, Daniel L.

2012-01-01

A method for the determination of the widely used herbicide diuron, three degradates of diuron, and six neonicotinoid insecticides in environmental water samples is described. Filtered water samples were extracted by using solid-phase extraction (SPE) with no additional cleanup steps. Quantification of the pesticides from the extracted water samples was done by using liquid chromatography with tandem mass spectrometry (LC/MS/MS). Recoveries in test water samples fortified at 20 nanograms per liter (ng/L) for each compound ranged from 75 to 97 percent; relative standard deviations ranged from 5 to 10 percent. Method detection limits (MDLs) in water ranged from 3.0 to 6.2 ng/L using LC/MS/MS. The method was applied to water samples from two streams in Georgia, Sope Creek and the Chattahoochee River. Diuron and 3,4-dichloroaniline (3,4-DCA) were detected in 100 and 80 percent, respectively, of the samples from the Chattahoochee River, whereas Sope creek had detection frequencies of 15 percent for diuron and 31 percent for 3,4-DCA. Detection frequencies for the neonicotinoid insecticide, imidacloprid, were 60 percent for the Chattahoochee River and 85 percent for Sope Creek. Field matrix-spike recoveries for each compound, when averaged over four water samples, ranged from 79 to 100 percent. The average percentage difference between replicate pairs for all compounds detected in the field samples was 10.1 (± 4.5) percent.

High Average Power Laser Gain Medium With Low Optical Distortion Using A Transverse Flowing Liquid Host

DOEpatents

Comaskey, Brian J.; Ault, Earl R.; Kuklo, Thomas C.

2005-07-05

A high average power, low optical distortion laser gain media is based on a flowing liquid media. A diode laser pumping device with tailored irradiance excites the laser active atom, ion or molecule within the liquid media. A laser active component of the liquid media exhibits energy storage times longer than or comparable to the thermal optical response time of the liquid. A circulation system that provides a closed loop for mixing and circulating the lasing liquid into and out of the optical cavity includes a pump, a diffuser, and a heat exchanger. A liquid flow gain cell includes flow straighteners and flow channel compression.

Phase Equilibrium Investigation on 2-Phenylethanol in Binary and Ternary Systems: Influence of High Pressure on Density and Solid-Liquid Phase Equilibrium.

PubMed

Domańska, Urszula; Królikowski, Marek; Wlazło, Michał; Więckowski, Mikołaj

2018-05-30

Ionic liquids (ILs) are important new solvents proposed for applications in different separation processes. Herein, an idea of possible use of high pressure in a general strategy of production of 2-phenylethanol (PEA) is discussed. In this work, we present the influence of pressure on the density in binary systems of {1-hexyl-1-methylpyrrolidynium bis{(trifluoromethyl)sulfonyl}imide, [HMPYR][NTf 2 ], or 1-dodecyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide, [DoMIM][NTf 2 ] + PEA} in a wide range of temperatures (298.15-348.15 K) and pressures (0.1-40 MPa). The densities at ambient and high pressures are measured to present the physicochemical properties of the ILs used in the process of separation of PEA from aqueous phase. The Tait equation was used for the correlation of density of one-component and two-component systems as a function of mole fraction, temperature, and pressure. The influence of pressure is not significant. These systems exhibit mainly negative molar excess volumes, V E . The solid-liquid phase equilibrium (SLE) of [DoMIM][NTf 2 ] in PEA at atmospheric pressure was measured and compared to the SLE high-pressure results. Additionally, the ternary liquid-liquid phase equilibrium (LLE) at ambient pressure in the {[DoMIM][NTf 2 ] (1) + PEA (2) + water (3)} at temperature T = 308.15 K was investigated. The solubility of water in the [DoMIM][NTf 2 ] is quite high in comparison with that measured by us earlier for ILs ( x 3 = 0.403) at T = 308.15 K, which results in not very successful average selectivity of extraction of PEA from the aqueous phase. The [DoMIM][NTf 2 ] has shown strong interaction with PEA without the immiscibility region. The ternary system revealed Treybal's type phase equilibrium in which two partially miscible binaries ([DoMIM][NTf 2 ] + water) and (PEA + water) exist. From the results of LLE in the ternary system, the selectivity and the solute distribution ratio of separation of water/PEA were calculated and compared to the results obtained for the ILs measured earlier by us. The popular NRTL model was used to correlate the experimental tie-lines in ternary LLE. These results may help in a new technological project of "in situ" extraction of PEA from aqueous phase during the biosynthesis.

Simultaneous determination of four alkaloids in Lindera aggregata by ultra-high-pressure liquid chromatography-tandem mass spectrometry.

PubMed

Han, Zheng; Zheng, Yunliang; Chen, Na; Luan, Lianjun; Zhou, Changxin; Gan, Lishe; Wu, Yongjiang

2008-11-28

A new separation and quantification method using liquid chromatography under ultra-high-pressure in combination with tandem mass spectrometry (MS/MS) was developed for simultaneous determination of four alkaloids in Lindera aggregata. The analysis was performed on an Acquity UPLC BEH C(18) column (50mmx2.1mm, 1.7microm particle size; Waters, Milford, MA, USA) utilizing a gradient elution profile and a mobile phase consisting of (A) water containing 10mM ammonium acetate adjusted to pH 3 with acetic acid and (B) acetonitrile. An electrospray ionization (ESI)-tandem interface in the positive mode was employed prior to mass spectrometric detection. The calibration curve was linear over the range of 17.1-856ng for boldine, 42.4-2652ng for norboldine, 6.1-304ng for reticuline and 0.5-50ng for linderegatine, respectively. The average recoveries ranged from 99.2 to 101.4% with RSDs< or =2.7%. Then, four L. aggregata samples from different batches were analyzed using the established method. The results indicated that ultra-high-pressure liquid chromatography-tandem mass spectrometry provided improved chromatographic parameters resulting in significantly increased sample throughput including lower solvent consumption and lower limits of quantitation (LOQs) for most of target analytes compared to previous method employing conventional high-performance liquid chromatography (HPLC) separation. So, the established method was validated, sensitive and reliable for the determination of four alkaloids in L. aggregata.

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.

Ionization of biomolecular targets by ion impact: input data for radiobiological applications

NASA Astrophysics Data System (ADS)

de Vera, Pablo; Abril, Isabel; Garcia-Molina, Rafael; Solov'yov, Andrey V.

2013-06-01

In this work we review and further develop a semiempirical model recently proposed for the ion impact ionization of complex biological media. The model is based on the dielectric formalism, and makes use of a semiempirical parametrization of the optical energy-loss function of bioorganic compounds, allowing the calculation of single and total ionization cross sections and related quantities for condensed biological targets, such as liquid water, DNA and its components, proteins, lipids, carbohydrates or cell constituents. The model shows a very good agreement with experimental data for water, adenine and uracil, and allows the comparison of the ionization efficiency of different biological targets, and also the average kinetic energy of the ejected secondary electrons.

Chaotic bubbling and nonstagnant foams.

PubMed

Tufaile, Alberto; Sartorelli, José Carlos; Jeandet, Philippe; Liger-Belair, Gerard

2007-06-01

We present an experimental investigation of the agglomeration of bubbles obtained from a nozzle working in different bubbling regimes. This experiment consists of a continuous production of bubbles from a nozzle at the bottom of a liquid column, and these bubbles create a two-dimensional (2D) foam (or a bubble raft) at the top of this column. The bubbles can assemble in various dynamically stable arrangement, forming different kinds of foams in a liquid mixture of water and glycerol, with the effect that the bubble formation regimes influence the foam obtained from this agglomeration of bubbles. The average number of bubbles in the foam is related to the bubble formation frequency and the bubble mean lifetime. The periodic bubbling can generate regular or irregular foam, while a chaotic bubbling only generates irregular foam.

High-performance liquid chromatographic method optimization for ondansetron assay in extemporaneous topical gel and in marketed products.

PubMed

Quamrun, Masuda; Mamoon, Rashid; Nasheed, Shams; Randy, Mullins

2014-01-01

The compounding and evaluation of ondansetron hydrochloride dihydrate topical gel, 2.5% w/w, were conducted in this study. The gelling agent was Carbopol 940. Ethanol 70% in purified water was used to dissolve the drug and disperse the gelling agent. A gel was formed by adding drops of 0.1 N sodium hydroxide solution. To assay this gel, we developed a simple and reproducible stability--indicating high-performance liquid chromatographic method. This method was validated for specificity, accuracy, and precision. The compounded gel was assayed in triplicate, and the average recovery was 98.3%. Ondansetron marketed products were analyzed for comparison with the compounded formulation. Assay, accuracy, and precision data of the compounded topical gel were comparable to the marketed products.

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.

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

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.

Mean force potential of interaction between Na+ and Cl- ions in planar nanopores in contact with water under pressure

NASA Astrophysics Data System (ADS)

Shevkunov, S. V.

2017-11-01

The mean force potential (MFP) of interaction between counterions Na+ and Cl- in a planar nanopore with structureless hydrophobic walls is calculated via computer simulation under the condition that the nanopore is in contact with water at an external pressure that exceeds the saturation pressure but remains insufficient to fill the nanopore with water. For a nanopore with a liquid phase, the MFP dependence on the interionic distance indicates the dissociation of an ion pair into two hydrated ions in a nanopore that is not completely filled with water. Fluctuations in the number of water molecules drawn into the interionic space decisively influence the dissociation. The attraction between counterions, averaged over thermal fluctuations, depends largely on the pore width and grows as the shielding of the ions' electric field by water molecules in a narrow pore diminishes. The contributions from energy and entropy to the free energy of hydration are analyzed.

REACTOR

DOEpatents

Roman, W.G.

1961-06-27

A pressurized water reactor in which automatic control is achieved by varying the average density of the liquid moderator-cooiant is patented. Density is controlled by the temperature and power level of the reactor ftself. This control can be effected by the use of either plate, pellet, or tubular fuel elements. The fuel elements are disposed between upper and lower coolant plenum chambers and are designed to permit unrestricted coolant flow. The control chamber has an inlet opening communicating with the lower coolant plenum chamber and a restricted vapor vent communicating with the upper coolant plenum chamber. Thus, a variation in temperature of the fuel elements will cause a variation in the average moderator density in the chamber which directly affects the power level of the reactor.

Pure colloidal metal and ceramic nanoparticles from high-power picosecond laser ablation in water and acetone.

PubMed

Bärsch, Niko; Jakobi, Jurij; Weiler, Sascha; Barcikowski, Stephan

2009-11-04

The generation of colloids by laser ablation of solids in a liquid offers a nearly unlimited material variety and a high purity as no chemical precursors are required. The use of novel high-power ultra-short-pulsed laser systems significantly increases the production rates even in inflammable organic solvents. By applying an average laser power of 50 W and pulse durations below 10 ps, up to 5 mg min(-1) of nanoparticles have been generated directly in acetone, marking a breakthrough in productivity of ultra-short-pulsed laser ablation in liquids. The produced colloids remain stable for more than six months. In the case of yttria-stabilized zirconia ceramic, the nanoparticles retain the tetragonal crystal structure of the ablated target. Laser beam self-focusing plays an important role, as a beam radius change of 2% on the liquid surface can lead to a decrease of nanoparticle production rates of 90% if the target position is not re-adjusted.

Prospects for the application of radiometric methods in the measurement of two-phase flows

NASA Astrophysics Data System (ADS)

Zych, Marcin

2018-06-01

The article constitutes an overview of the application of radiometric methods in the research of two-phase flows: liquid-solid particles and liquid-gas flows. The methods which were used were described on the basis of the experiments which were conducted in the Water Laboratory of the Wrocław University of Environmental and Life Sciences and in the Sedimentological Laboratory of the Faculty of Geology, Geophysics and Environmental Protection, AGH-UST in Kraków. The advanced mathematical methods for the analysis of signals from scintillation probes that were applied enable the acquisition of a number of parameters associated with the flowing two-phase mixture, such as: average velocities of the particular phases, concentration of the solid phase, and void fraction for a liquid-gas mixture. Despite the fact that the application of radioactive sources requires considerable carefulness and a number of state permits, in many cases these sources become useful in the experiments which are presented.

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.

Buoyancy Driven Shear Flows of Bubble Suspensions

NASA Technical Reports Server (NTRS)

Koch, D. L.; Hill, R. J.; Chellppannair, T.; Zenit, R.; Zenit, R.; Spelt, P. D. M.

1999-01-01

In this work the gas volume fraction and the root-mean-squared fluid velocity are measured in buoyancy driven shear flows of bubble suspensions in a tall, inclined, rectangular channel. The experiments are performed under conditions where We << 1a nd Re >> 1, for which comparisons are made with kinetic theory and numerical simulations. Here Re = gamma(a(exp 2)/nu is the Reynolds number and We = rho(gamma(exp 2))a(exp 3)/sigma is the Weber number; gamma is the shear rate, a is the bubble radius, nu is the kinematic viscosity of the liquid, rho is the density of the liquid, and sigma is the surface tension of the gas/liquid interface. Kang et al. calculated the bubble phase pressure and velocity variance of sheared bubble suspensions under conditions where the bubbles are spherical and the liquid phase velocity field can be approximated using potential flow theory, i.e. We= 0 and Re >> 1. Such conditions can be achieved in an experiment using gas bubbles, with a radius of O(0.5mm), in water. The theory requires that there be no average relative motion of the gas and liquid phases, hence the motivation for an experimental program in microgravity. The necessity of performing preliminary, Earth based experiments, however, requires performing experiments where the gas phase rises in the liquid, which significantly complicates the comparison of experiments with theory. Rather than comparing experimental results with theory for a uniform, homogeneous shear flow, experiments can be compared directly with solutions of the averaged equations of motion for bubble suspensions. This requires accounting for the significant lift force acting on the gas phase when the bubbles rise parallel to the average velocity of the sheared suspension. Shear flows can be produced in which the bubble phase pressure gradient, arising from shear induced collisions amongst the bubbles, balances a body force (centrifugal or gravitational) on the gas phase. A steady, non-uniform gas volume fraction can be measured, from which the bubble phase pressure gradient can be obtained and compared to theory and numerical simulations. The presence of bounding walls further complicates the experiments, since the detailed interactions of the bubbles with bounding walls is not well understood, especially in the presence of gravity, where the momentum and energy exchange depends on the inclination of the wall.

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

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.

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.

Quantitative Detection of Trace Malachite Green in Aquiculture Water Samples by Extractive Electrospray Ionization Mass Spectrometry

PubMed Central

Fang, Xiaowei; Yang, Shuiping; Chingin, Konstantin; Zhu, Liang; Zhang, Xinglei; Zhou, Zhiquan; Zhao, Zhanfeng

2016-01-01

Exposure to malachite green (MG) may pose great health risks to humans; thus, it is of prime importance to develop fast and robust methods to quantitatively screen the presence of malachite green in water. Herein the application of extractive electrospray ionization mass spectrometry (EESI-MS) has been extended to the trace detection of MG within lake water and aquiculture water, due to the intensive use of MG as a biocide in fisheries. This method has the advantage of obviating offline liquid-liquid extraction or tedious matrix separation prior to the measurement of malachite green in native aqueous medium. The experimental results indicate that the extrapolated detection limit for MG was ~3.8 μg·L−1 (S/N = 3) in lake water samples and ~0.5 μg·L−1 in ultrapure water under optimized experimental conditions. The signal intensity of MG showed good linearity over the concentration range of 10–1000 μg·L−1. Measurement of practical water samples fortified with MG at 0.01, 0.1 and 1.0 mg·L−1 gave a good validation of the established calibration curve. The average recoveries and relative standard deviation (RSD) of malachite green in lake water and Carassius carassius fish farm effluent water were 115% (6.64% RSD), 85.4% (9.17% RSD) and 96.0% (7.44% RSD), respectively. Overall, the established EESI-MS/MS method has been demonstrated suitable for sensitive and rapid (<2 min per sample) quantitative detection of malachite green in various aqueous media, indicating its potential for online real-time monitoring of real life samples. PMID:27529262

Quantitative Detection of Trace Malachite Green in Aquiculture Water Samples by Extractive Electrospray Ionization Mass Spectrometry.

PubMed

Fang, Xiaowei; Yang, Shuiping; Chingin, Konstantin; Zhu, Liang; Zhang, Xinglei; Zhou, Zhiquan; Zhao, Zhanfeng

2016-08-11

Exposure to malachite green (MG) may pose great health risks to humans; thus, it is of prime importance to develop fast and robust methods to quantitatively screen the presence of malachite green in water. Herein the application of extractive electrospray ionization mass spectrometry (EESI-MS) has been extended to the trace detection of MG within lake water and aquiculture water, due to the intensive use of MG as a biocide in fisheries. This method has the advantage of obviating offline liquid-liquid extraction or tedious matrix separation prior to the measurement of malachite green in native aqueous medium. The experimental results indicate that the extrapolated detection limit for MG was ~3.8 μg·L(-1) (S/N = 3) in lake water samples and ~0.5 μg·L(-1) in ultrapure water under optimized experimental conditions. The signal intensity of MG showed good linearity over the concentration range of 10-1000 μg·L(-1). Measurement of practical water samples fortified with MG at 0.01, 0.1 and 1.0 mg·L(-1) gave a good validation of the established calibration curve. The average recoveries and relative standard deviation (RSD) of malachite green in lake water and Carassius carassius fish farm effluent water were 115% (6.64% RSD), 85.4% (9.17% RSD) and 96.0% (7.44% RSD), respectively. Overall, the established EESI-MS/MS method has been demonstrated suitable for sensitive and rapid (<2 min per sample) quantitative detection of malachite green in various aqueous media, indicating its potential for online real-time monitoring of real life samples.

Assessment of the Extraction Methods for Monitoring Phthalate Emerging Contaminants in Groundwater and Tap Water

NASA Astrophysics Data System (ADS)

Cotto, I.; Padilla, I. Y.; De Jesús, N. H.; Torres, P. M.

2015-12-01

Trace organic contaminants such as phthalates, among other chemicals of emerging concerns, have not historically been considered as pollutants but are being detected in water, posing a potential risk to public health and the environment. One of the most common phthalates of particular concern is di-(2-ethylhexyl) phthalate (DEHP), a plasticizer normally found in plastics and consumer products, including: cosmetics, pharmaceuticals, medical devices, food packages, water bottles, and wiring cables. DEHP has been associated with preterm birth, a major cause of neonatal mortality and health complications. This study aims at monitoring the presence and concentration of DEHP and other phthalates in groundwater and tap water systems in Puerto Rico, which has one of the highest rates of preterm birth in the U.S. The Environmental Protection Agency (EPA) suggests a liquid-liquid extraction method that uses methylene chloride as the preferred organic solvent for the extractions. This work presents modified EPA methods that reduce the volume of sample and solvent used, lower the time of analysis, increase productivity, and decrease hazards and waste. Distribution coefficient of DEHP between methylene chloride and water are estimated and related to sample extraction efficiency. Research results indicate that DEHP is in fact distributed between water and methylene chloride with a distribution coefficient average value of 1.24. The study concludes that the sample and solvent volumes have influence on the efficiency but have not an effect on the distribution coefficient. The tests show higher extraction efficiencies for lower DEHP concentrations and higher extraction volumes. Results from the water analysis show presence of DEHP in 55% of groundwater and 44% of tap water samples, indicating a potential exposure through water.

Ascorbate in the guinea pig lens: dependence on drinking water supplementation.

PubMed

Mody, Vino C; Kakar, Manoj; Elfving, Ase; Söderberg, Per G; Löfgren, Stefan

2005-04-01

To investigate whether lens ascorbate concentration can be elevated with drinking water supplementation. Pigmented guinea pigs received drinking water supplemented with L-ascorbate, concentration 0.00, 2.84, 5.68 or 8.52 mm for a duration of 4 weeks. In addition, the chow fed to all animals contained 125 mmol L-ascorbate per kg of chow. At the end of the supplementation period, the guinea pigs were killed. Each lens was extracted. The lens was processed and ascorbate concentration was measured using high performance liquid chromatography (HPLC) with 254 nm ultraviolet radiation detection. The data were analysed with regression. At the end of the test period, all lenses were devoid of cataract as observed by slit-lamp examination. All lenses contained a detectable concentration of ascorbate. Estimated 95% confidence intervals for mean animal-averaged lens ascorbate concentrations (micromol/g wet weight of whole lens) per group were 0.51 +/- 0.04 (0.00 mm; n = 6), 0.70 +/- 0.18 (2.84 mm; n = 6), 0.71 +/- 0.11 (5.68 mm; n = 5), and 0.71 +/- 0.06 (8.52 mm; n = 6). Animal-averaged lens ascorbate concentration [Asc(lens)] (micromol/g wet weight lens) increased with ascorbate supplementation in drinking water [Asc(water)] (M), in agreement with the model: [Asc(lens)] = A - Be(-kAsc(water)]. Lens ascorbate concentration increases with drinking water supplementation in the guinea pig without cataract development. The currently presented method for measurement of whole lens ascorbate content is suitable.

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.

[Determination of 27 industrial dyes in juice and wine using ultra performance liquid chromatography with electrospray ionization tandem quadrupole mass spectrometry].

PubMed

Zhao, Shan; Zhang, Jing; Yang, Yi; Shao, Bing

2010-04-01

A method for the determination of 27 industrial dyes in juice and wine has been developed using ultra performance liquid chromatography-tandem mass spectrometry (UPLC-MS/ MS). Acetonitrile was used as extraction solvent, and sodium chloride was added to salt out the analytes from the samples. Chromatographic separation was performed on a C18 column with the gradient elution and the mass spectrometric acquisition was carried out under the mode of multiple reaction monitoring (MRM). Twenty-four of the 27 dyes were detected under positive ionization mode using the mobile phase of acetonitrile and water containing 0.1% formic acid. The other 3 dyes were analyzed under negative ionization mode with the mobile phase of acetonitrile and water. As a result, the average recoveries of 27 dyes spiked in juice ranged from 57.0% to 117.7% with the relative standard deviations (RSDs) of 2.4%-17.7%, and the average recoveries of 27 dyes spiked in wine ranged from 40.8% to 109.4% with the RSDs of 1.6%-17.9%. The limits of quantification (LOQs) of 27 dyes spiked in juice were in the range of 0.1-50 microg/kg, and 0.2-50 microg/kg for those spiked in wine. This method can be applied to rapid detection of illegally added dyes in soft drinks due to its simplicity and high sensitivity.

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.

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.

Impact of e-liquid flavors on e-cigarette vaping behavior.

PubMed

St Helen, Gideon; Shahid, Marian; Chu, Sherman; Benowitz, Neal L

2018-05-31

The primary objective of this pilot study was to describe the impact of e-cigarette liquid flavors on experienced e-cigarette users' vaping behavior. 11 males and 3 females participated in a 3-day inpatient crossover study using e-cigarettes with strawberry, tobacco, and their usual brand e-liquid. Nicotine levels were nominally 18 mg/mL in the strawberry and tobacco e-liquids and ranged between 3-18 mg/mL in the usual brands. On each day, participants had access to the study e-cigarette (KangerTech mini ProTank 3, 1.5 Ohms, 3.7 V) and the assigned e-liquid during a 90-minute videotaped ad libitum session. Average puff duration was significantly longer when using the strawberry e-liquid (3.2 ± 1.3 s, mean ± SD) compared to the tobacco e-liquid (2.8 ± 1.1 s) but the average number of puffs was not significantly different (strawberry, 73 ± 35; tobacco, 69 ± 46). Compared to the strawberry- and tobacco-flavored e-liquids, average puff duration was significantly longer (4.3 ± 1.6 s) and the average number of puffs was significantly higher (106 ± 67 puffs) when participants used their usual brand of e-liquid. Participants generally puffed more frequently in small groups of puffs (1-5 puffs) with the strawberry compared to the tobacco e-liquid and more frequently in larger groups (>10 puffs) with their usual brand. The strength of the relationship between vaping topography and nicotine intake and exposure were not consistent across e-liquids. Vaping behavior changes across e-liquids and influences nicotine intake. Research is needed to understand the mechanisms that underlie these behavioral changes, including e-liquid pH and related sensory effects, subjective liking, and nicotine effects. Copyright © 2018. Published by Elsevier B.V.

Flowmeter for determining average rate of flow of liquid in a conduit

DOEpatents

Kennerly, J.M.; Lindner, G.M.; Rowe, J.C.

1981-04-30

This invention is a compact, precise, and relatively simple device for use in determining the average rate of flow of a liquid through a conduit. The liquid may be turbulent and contain bubbles of gas. In a preferred embodiment, the flowmeter includes an electrical circuit and a flow vessel which is connected as a segment of the conduit conveying the liquid. The vessel is provided with a valved outlet and is partitioned by a vertical baffle into coaxial chambers whose upper regions are vented to permit the escape of gas. The inner chamber receives turbulent downflowing liquid from the conduit and is sized to operate at a lower pressure than the conduit, thus promoting evolution of gas from the liquid. Lower zones of the two chambers are interconnected so that the downflowing liquid establishes liquid levels in both chambers. The liquid level in the outer chamber is comparatively calm, being to a large extent isolated from the turbulence in the inner chamber once the liquid in the outer chamber has risen above the liquid-introduction zone for that chamber. Lower and upper probes are provided in the outer chamber for sensing the liquid level therein at points above its liquid-introduction zone. An electrical circuit is connected to the probes to display the time required for the liquid level in the outer chamber to successively contact the lower and upper probes. The average rate of flow through the conduit can be determined from the above-mentioned time and the vessel volume filled by the liquid during that time.

Flowmeter for determining average rate of flow of liquid in a conduit

DOEpatents

Kennerly, John M.; Lindner, Gordon M.; Rowe, John C.

1982-01-01

This invention is a compact, precise, and relatively simple device for use in determining the average rate of flow of a liquid through a conduit. The liquid may be turbulent and contain bubbles of gas. In a preferred embodiment, the flowmeter includes an electrical circuit and a flow vessel which is connected as a segment of the conduit conveying the liquid. The vessel is provided with a valved outlet and is partitioned by a vertical baffle into coaxial chambers whose upper regions are vented to permit the escape of gas. The inner chamber receives turbulent downflowing liquid from the conduit and is sized to operate at a lower pressure than the conduit, thus promoting evolution of gas from the liquid. Lower zones of the two chambers are interconnected so that the downflowing liquid establishes liquid levels in both chambers. The liquid level in the outer chamber is comparatively calm, being to a large extent isolated from the turbulence in the inner chamber once the liquid in the outer chamber has risen above the liquid-introduction zone for that chamber. Lower and upper probes are provided in the outer chamber for sensing the liquid level therein at points above its liquid-introduction zone. An electrical circuit is connected to the probes to display the time required for the liquid level in the outer chamber to successively contact the lower and upper probes. The average rate of flow through the conduit can be determined from the above-mentioned time and the vessel volume filled by the liquid during that time.

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.

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.

Methods of Analysis by the U.S. Geological Survey Organic Geochemistry Research Group?Determination of acetamide herbicides and their degradation products in water using online solid-phase extraction and liquid chromatography/mass spectrometry

USGS Publications Warehouse

Lee, E.A.; Strahan, A.P.

2003-01-01

An analytical method for the determination of 6 acetamide herbicides (acetochlor, alachlor, dimethenamid, flufenacet, metolachlor, and propachlor) and 16 of their degradation products in natural water samples using solid-phase extraction and liquid chromatography/mass spectrometry is described in this report. Special consideration was given during the development of the method to prevent the formation of degradation products during the analysis. Filtered water samples were analyzed using octadecylsilane as the solid-phase extraction media on online automated equipment followed by liquid chromatography/mass spectrometry. The method uses only 10 milliliters of sample per injection. Three different water-sample matrices, a reagent-water, a ground-water, and a surface-water sample spiked at 0.10 and 1.0 microgram per liter, were analyzed to determine method performance. Method detection limits ranged from 0.004 to 0.051 microgram per liter for the parent acetamide herbicides and their degradation products. Mean recoveries for the acetamide compounds in the ground- and surface-water samples ranged from 62.3 to 117.4 percent. The secondary amide of acetochlor/metolachlor ethanesulfonic acid (ESA) was recovered at an average rate of 43.5 percent. The mean recoveries for propachlor and propachlor oxanilic acid (OXA) were next lowest, ranging from 62.3 to 95.5 percent. Mean recoveries from reagent-water samples ranged from 90.3 to 118.3 percent for all compounds. Overall the mean of the mean recoveries of all compounds in the three matrices spiked at 0.10 and 1.0 microgram per liter ranged from 89.9 to 100.7 percent, including the secondary amide of acetochlor/metolachlor ESA and the propachlor compounds. The acetamide herbicides and their degradation products are reported in concentrations ranging from 0.05 to 2.0 micrograms per liter. The upper concentration limit is 2.0 micrograms per liter for all compounds without dilution. With the exception of the secondary amide of acetochlor/metolachlor ESA, good precision and accuracy for the chloroacetanalide herbicides and their degradation compounds were demonstrated for the method in buffered reagent water, ground water, and surface water. The extraction method as used did not optimize the recovery of the secondary amide of acetochlor/metolachlor ESA.

Sensitive Procedures for Determining the Permeation Resistance of Chlorinated Polyethylene Against Liquid Propellants

NASA Technical Reports Server (NTRS)

Waller, Jess M.; Williams, James H.; Fries, Joseph (Technical Monitor)

1999-01-01

The permeation resistance of chlorinated polyethylene (CPE) used in totally encapsulating chemical protective suits against the aerospace fuels hydrazine, monomethylhydrazine, and uns-dimethylhydrazine was determined by measuring the breakthrough time (BT) and time-averaged vapor transmission rate (VTR) using procedures consistent with ASTM F 739 and ASTM F 1383. Two exposure scenarios were simulated: a 2 hour (h) fuel vapor exposure, and a liquid fuel "splash" followed by a 2 h vapor exposure. To simulate internal suit pressure during operation, a positive differential pressure of 0.3 in. water (75 Pa) on the collection side of the permeation apparatus was used. Using the available data, a model was developed to estimate propellant concentrations inside an air-line fed, totally encapsulating chemical protective suit. Concentrations were calculated under simulated conditions of fixed vapor transmission rate, variable breathing air flow rate, and variable splash exposure area. Calculations showed that the maximum allowable permeation rates of hydrazine fuels through CPE were of the order of 0.05 to 0.08 ng/sq cm min for encapsulating suits with low breathing air flow rates (of the order of 5 scfm or 140 L min-1). Above these permeation rates, the 10 parts-per-billion (ppb) threshold limit value time-weighted average could be exceeded. To evaluate suit performance at 10 ppb threshold-limiting value/time-weighted average level concentrations, use of a sensitive analytical method such as cation exchange high performance liquid chromatography with amperometric detection was found to be essential. The analytical detection limit determines the lowest measurable VTR, which in turn governed the lowest per meant concentration that could be calculated inside the totally encapsulating chemical protective suit.

An Open, Snow-based Hydrologic System on Noachian Mars

NASA Technical Reports Server (NTRS)

Zent, A. P.

1999-01-01

Properties of Noachian valley networks on Mars suggest that the conditions under which they formed were marginal for liquid water formation. The networks are sparsely scattered, poorly dissected, and tend to be small; a majority occupy areas only a few hundred kilometers in extent. Models in which networks formed by mass wasting are contra-indicated by the discovery of channels within the valleys. Greenhouse hypotheses for the stability of liquid water have foundered on familiar problems: first, a very substantial CO2 atmosphere would be required to bring global average conditions to 273 K; the CO2 should still be present in extensive carbonate deposits that have not been detected. Explanations that call upon groundwater sapping are hampered by the need for a hydrologic system to recharge the groundwater system, which effectively reinstates the need for a heavy CO2 atmosphere. Based upon field experience and geomorphic similarities between drainage developed in the periglacial terrain in and around the Haughton impact structure, Devon Island, Nuunavuut, Canada, we have suggested that some of the channel networks may have formed either subglacially, or as ice marginal structures.

Thermally conductive of nanofluid from surfactant doped polyaniline nanoparticle and deep eutectic ionic liquid

NASA Astrophysics Data System (ADS)

Siong, Chew Tze; Daik, Rusli; Hamid, Muhammad Azmi Abdul

2014-09-01

Nanofluid is a colloidal suspension of nano-size particles in a fluid. Spherical shape dodecylbenzenesulfonic acid doped polyaniline (DBSA-PANI) nanoparticles were synthesized via reverse micellar polymerization in isooctane with average size of 50 nm- 60 nm. The aim of study is to explore the possibility of using deep eutectic ionic liquid (DES) as a new base fluid in heat transfer application. DES was prepared by heating up choline chloride and urea with stirring. DES based nanofluids containing DBSA-PANI nanoparticles were prepared using two-step method. Thermal conductivity of nanofluids was measured using KD2 Pro Thermal Properties Analyzer. When incorporated with DBSA-PANI nanoparticles, DES with water was found to exhibit a bigger increase in thermal conductivity compared to that of the pure DES. The thermal conductivity of DES with water was increased by 4.67% when incorporated with 0.2 wt% of DBSA-PANI nanoparticles at 50°C. The enhancement in thermal conductivity of DES based nanofluids is possibly related to Brownian motion of nanoparticles as well as micro-convection of base fluids and also interaction between dopants and DES ions.

Recovery of high-purity silver directly from dilute effluents by an emulsion liquid membrane-crystallization process.

PubMed

Tang, Bing; Yu, Guojun; Fang, Jianzhang; Shi, Taihong

2010-05-15

An emulsion liquid membrane (ELM)-crystallization process, using hypophosphorous acid as a reducing agent in the internal aqueous phase, has been developed for the purpose of recovering high-purity silver directly from dilute industrial effluents (waste rinse water). After pretreatment with HNO(3), silver in waste rinse water can be reliably recovered with high efficiency through the established process. The main parameters in the process of ELM-crystallization include the concentration of carrier in the membrane phase, the concentration of reducing agent in the internal aqueous phase, and the treatment ratio, which influence the recovery efficiency to various extents and must be controlled carefully. The results indicated that more than 99.5% (wt.) of the silver ions in the external aqueous phase were extracted by the ELM-crystallization process, with an average efficiency of recovery of 99.24% (wt.) and a purity of 99.92% (wt.). The membrane phase can be used repeatedly without loss of the efficiency of recovery. Copyright (c) 2009 Elsevier B.V. All rights reserved.

[Simultaneous determination of sugar alcohols and sugars in functional foods by precolumn ultraviolet derivatization--high performance liquid chromatography].

PubMed

Liu, Ya-Pan; Ran, Xue-Qin; Chen, Lu-Ying; Zhang, Jing; Ruan, Jia; Li, Yong-Xin; Sun, Chengjun

2014-09-01

To establish a method using precolumn ultraviolet derivatization coupled with high performance liquid chromatography (HPLC) for simultaneous determination of erythritol, xylitol, galactitol, sorbitol, mannitol, maltitol, glucose and sucrose in functional foods. Target sugar alcohols and sugars in food samples were extracted in water by ultrasonic method and then reacted with benzoyl chloride to form violet-absorbing products, which were separated on a C18 column with gradient elution using methanol and water as mobile phase. The experiment was performed using a flow rate of 1.00 mL/min, column temperature at 30 degrees C and detected wavelength at 232 nm. The linear correlation coefficients of all the derivatives were more than 0. 999. The detection limits of the method were as low as 2. 2 microg/mL. The average recoveries were 89.6%-117.0%, with intraday relative standard derivations lower than 5%. This method is simple, inexpensive and easy to operate and it is suitable for the determination of sugar alcohols and glucose and sucrose in functional foods.

Probing the interaction of 1-ethyl-3-methylimidazolium ethyl sulfate ([Emim][EtSO4]) with alcohols and water by solvent and rotational relaxation.

PubMed

Sarkar, Souravi; Pramanik, Rajib; Ghatak, Chiranjib; Setua, Palash; Sarkar, Nilmoni

2010-03-04

The effect of the addition of cosolvents in the room temperature ionic liquid (RTIL) 1-ethyl-3-methylimidazolium ethyl sulfate ([Emim][EtSO(4)]) was probed by the solvent and rotational relaxation studies of coumarin 153 in neat ionic liquid [Emim][EtSO(4)] and [Emim][EtSO(4)]-cosolvent mixtures by using steady-state and time-resolved fluorescence spectroscopy. With gradual addition of cosolvents in the RTIL, both the average solvation time and rotational relaxation times gradually decrease. Addition of cosolvents in the IL decreases the viscosity of the medium. We have optimized the geometry of [Emim][EtSO(4)] and [Emim][EtSO(4)]-cosolvent mixtures by using quantum chemical calculations using density functional theory methods, which show the formation of hydrogen bond between cosolvents with [Emim][EtSO(4)]. With addition of the same amount of alcohols in neat [Emim][EtSO(4)], the rotational relaxation time decreases more compared to the addition of the same amount of water.

Cavities in molecular liquids and the theory of hydrophobic solubilities

NASA Technical Reports Server (NTRS)

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

1990-01-01

Thermal configurational data on neat liquids are used to obtain the work of formation of hard spherical cavities of atomic size in six molecular solvents: n-hexane, n-dodecane, n-undecyl alcohol, chloroform, carbon tetrachloride, and water. These results are used to test a recent suggestion that the differences between nonaqueous solvents and liquid water in solvation of inert gases are not principally due to the hydrogen-bonded structure of liquid water but rather to the comparatively small size of the water molecule. The frequencies of occurrence of cavities in liquid water can be meaningfully distinguished from those in the organic solvents. Liquid water has a larger fractional free volume, but that free volume is distributed in smaller packets. With respect to cavity work, water is compared to a solvent of the same molecular density and composed of hard spheres of the same size as the water molecule. That comparison indicates that the hard-sphere liquid finds more ways to configure its free volume in order to accommodate an atomic solute of substantial size and thus, would be more favorable solvent for inert gases. The scaled particle model of inert gas solubility in liquid water predicts cavity works 20% below the numerical data for TIP4P water at 300 K and 1.0 g/cm3 for cavity radii near 2.0 angstroms. It is argued that the sign of this difference is just the sign that ought to be expected and that the magnitude of this difference measures structural differences between water and the directly comparable hard-sphere liquid. In conjunction with previous data, these results indicate that atomic sized cavities should be considered submacroscopic.

[Determination of 23 antibiotics and 3 β-agonists in livestock drinking water by ultra performance liquid chromatography-tandem mass spectrometry coupled with solid-phase extraction].

PubMed

Shi, Ao

2016-02-01

A method has been developed for the simultaneous determination of 23 antibiotics (four categories) and 3 β-agonists in livestock drinking water using solid-phase extraction and ultra performance liquid chromatography coupled with electrospray ionization tandem mass spectrometry (UPLC-ESI MS/MS). The samples were adjusted pH to 5. 0, added Na2EDTA, enriched and cleaned-up by an HLB solid-phase extraction cartridge. The target compounds were confirmed and quantified by UPLC-ESI MS/MS with external standard method for the anti- biotics and internal standard method for the β-agonists. The recoveries were assessed by using lab tap water as matrix. The average recoveries of the 23 antibiotics and the 3 β-agonists were in the range of 50. 7%-104. 6% and the relative standard deviations (RSDs) were 2. 6%-8. 8% (n= 3). Under the optimal conditions, the calibration curves of the 23 antibiotics and the 3 β-agonists showed good linearity with the correlation coefficients better than 0. 994. The limits of detection (LODs, S/N≥3) ranged from 0. 01-0. 20 ng/L. The developed method was applied to analyze the livestock drinking waters in 36 Beijing intensive livestock farms. The results showed that some antibiotics were detected.

40 CFR Table 8 to Subpart Sssss of... - Continuous Compliance with Operating Limits

Code of Federal Regulations, 2010 CFR

2010-07-01

... subpart; andii. Reducing the scrubber pressure drop data to 1-hour and 3-hour block averages; and iii.... Reducing the scrubber liquid pH data to 1-hour and 3-hour block averages; and iii. Maintaining the 3-hour... subpart; andii. Reducing the scrubber liquid flow rate data to 1-hour and 3-hour block averages; and iii...

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.

Compensating effect of ultrasonic waves on retarding action of nanoparticles in drops liquid-liquid extraction.

PubMed

Saien, Javad; Daneshamoz, Sana

2018-03-01

The influence of ultrasonic waves on liquid-liquid extraction of circulating drops and in the presence of magnetite nanoparticles was investigated. Experiments were conducted in a column equipped with an ultrasound transducer. The frequency and intensity of received waves, measured by the hydrophone standard method, were 35.40 kHz and 0.37 mW/cm 2 , respectively. The recommended chemical system of cumene-isobutyric acid-water was used in which mass transfer resistance lies in the aqueous phase. Nanoparticles, within concentration range of (0.0003-0.0030) wt%, were added to the aqueous continuous phase. The presence of nanoparticles and ultrasonic waves provided no sensible change in drop size (within 2.49-4.17 mm) and measured terminal velocities were close to Grace model. However, presence of nanoparticles, caused mass transfer to decrease. This undesired effect was significantly diminished by using ultrasonic waves so that mass transfer coefficient increased from (73.0-178.2) to (130.2-240.2) µm/s, providing a 55.6% average enhancement. It is presumably due to disturbing the accumulated nanoparticles around the drops. The current innovative study highlights the fact that using ultrasonic waves is an interesting way to improve liquid-liquid extraction in the presence and absence of nanoparticles. Copyright © 2017 Elsevier B.V. All rights reserved.

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.

Occurrence and distribution pattern of acidic pharmaceuticals in surface water, wastewater, and sediment of the Msunduzi River, Kwazulu-Natal, South Africa.

PubMed

Agunbiade, Foluso O; Moodley, Brenda

2016-01-01

The paucity of information on the occurrence of pharmaceuticals in the environment in African countries led the authors to investigate 8 acidic pharmaceuticals (4 antipyretics, 3 antibiotics, and 1 lipid regulator) in wastewater, surface water, and sediments from the Msunduzi River in the province of KwaZulu-Natal, South Africa, using solid-phase extraction (SPE) and liquid chromatography-mass spectrometry (LC/MS). The method recoveries, limits of detection (LOD), and limits of quantification were determined. The method recoveries were 58.4% to 103%, and the LODs ranged between 1.16 ng/L and 29.1 ng/L for water and between 0.58 ng/g and 14.5 ng/g for sediment. The drugs were all present in wastewater and in most of the surface water and sediment samples. Aspirin was the most abundant pharmaceutical observed, 118 ± 0.82 μg/L in wastewater influent, and the most observed antibiotic was nalidixic acid (25.2-29.9 μg/L in wastewater); bezafibrate was the least observed. The distribution pattern of the antipyretic in water indicates more impact in suburban sites. The solid-liquid partitioning of the pharmaceuticals between sediment and water, measured as the distribution coefficient (log KD ) gave an average accumulation magnitude of 10× to 32× in sediments than in water. The downstream distribution patterns for both water and sediment indicate discharge contributions from wastewater, agricultural activities, domestic waste disposal, and possible sewer system leakages. Although concentrations of the pharmaceuticals were comparable with those obtained from some other countries, the contamination of the present study site with pharmaceuticals has been over time and continues at present, making effective management and control necessary. © 2015 SETAC.

Tile Drainage Management Influences on Surface-Water and Groundwater Quality following Liquid Manure Application.

PubMed

Frey, Steven K; Topp, Ed; Ball, Bonnie R; Edwards, Mark; Gottschall, Natalie; Sunohara, Mark; Zoski, Erin; Lapen, David R

2013-01-01

This study investigated the potential for controlled tile drainage (CD) to reduce bacteria and nutrient loading to surface water and groundwater from fall-season liquid manure application (LMA) on four macroporous clay loam plots, of which two had CD and two had free-draining (FD) tiles. Rhodamine WT (RWT) was mixed into the manure and monitored in the tile water and groundwater following LMA. Tile water and groundwater quality were influenced by drainage management. Following LMA on the FD plots, RWT, nutrients, and bacteria moved rapidly via tiles to surface water; at the CD plots, tiles did not flow until the first post-LMA rainfall, so the immediate risk of LMA-induced contamination of surface water was abated. During the 36-d monitoring period, flow-weighted average specific conductance, redox potential, and turbidity, as well as total Kjeldahl N (TKN), total P (TP), NH-N, reactive P, and RWT concentrations, were higher in the CD tile effluent; however, because of lower tile discharge from the CD plots, there was no significant ( ≤ 0.05) difference in surface water nutrient and RWT loading between the CD and FD plots when all tiles were flowing. The TKN, TP, and RWT concentrations in groundwater also tended to be higher at the CD plots. Bacteria behaved differently than nutrients and RWT, with no significant difference in total coliform, , fecal coliform, fecal streptococcus, and concentrations between the CD and FD tile effluent; however, for all but , hourly loading was higher from the FD plots. Results indicate that CD has potential for mitigating bacteria movement to surface water. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Kinetic modeling of streamer penetration into de-ionized water

NASA Astrophysics Data System (ADS)

Levko, Dmitry; Sharma, Ashish; Raja, Laxminarayan L.

2018-03-01

Interest in plasma-liquid interaction phenomena has grown in recent years due to applications in plasma medicine, water purification, and plasma-hydrocarbon reforming. The plasma in contact with liquid is generated, for example, using the plasma jets or streamer discharges. The interaction between the streamer and water can cause both physical and chemical modifications of the liquid. In this paper, the interaction between an anode-directed streamer and the de-ionized water is studied using one-dimensional particle-in-cell Monte Carlo collisions model. In this model, plasma species in both gas and liquid phase are considered as the macro-particles. We find that the penetration of the streamer head into the liquid causes ionization of water molecules by electron impact, a process which is usually ignored in the fluid models. The main charge carriers in the liquid phase are negative water ions which agree with earlier experimental and computational modeling studies. Additionally, we observe an ion-rich sheath in the vicinity of the water surface on the gas side.

Gas-liquid transfer data used to analyze hydrophobic hydration and find the nature of the Kauzmann-Tanford hydrophobic factor.

PubMed

Baldwin, Robert L

2012-05-08

Hydrophobic free energy for protein folding is currently measured by liquid-liquid transfer, based on an analogy between the folding process and the transfer of a nonpolar solute from water into a reference solvent. The second part of the analogy (transfer into a nonaqueous solvent) is dubious and has been justified by arguing that transfer out of water probably contributes the major part of the free energy change. This assumption is wrong: transfer out of water contributes no more than half the total, often less. Liquid-liquid transfer of the solute from water to liquid alkane is written here as the sum of 2 gas-liquid transfers: (i) out of water into vapor, and (ii) from vapor into liquid alkane. Both gas-liquid transfers have known free energy values for several alkane solutes. The comparable values of the two different transfer reactions are explained by the values, determined in 1991 for three alkane solutes, of the cavity work and the solute-solvent interaction energy. The transfer free energy is the difference between the positive cavity work and the negative solute-solvent interaction energy. The interaction energy has similar values in water and liquid alkane that are intermediate in magnitude between the cavity work in water and in liquid alkane. These properties explain why the transfer free energy has comparable values (with opposite signs) in the two transfers. The current hydrophobic free energy is puzzling and poorly defined and needs a new definition and method of measurement.

Gas-liquid transfer data used to analyze hydrophobic hydration and find the nature of the Kauzmann-Tanford hydrophobic factor

PubMed Central

Baldwin, Robert L.

2012-01-01

Hydrophobic free energy for protein folding is currently measured by liquid-liquid transfer, based on an analogy between the folding process and the transfer of a nonpolar solute from water into a reference solvent. The second part of the analogy (transfer into a nonaqueous solvent) is dubious and has been justified by arguing that transfer out of water probably contributes the major part of the free energy change. This assumption is wrong: transfer out of water contributes no more than half the total, often less. Liquid-liquid transfer of the solute from water to liquid alkane is written here as the sum of 2 gas-liquid transfers: (i) out of water into vapor, and (ii) from vapor into liquid alkane. Both gas-liquid transfers have known free energy values for several alkane solutes. The comparable values of the two different transfer reactions are explained by the values, determined in 1991 for three alkane solutes, of the cavity work and the solute-solvent interaction energy. The transfer free energy is the difference between the positive cavity work and the negative solute-solvent interaction energy. The interaction energy has similar values in water and liquid alkane that are intermediate in magnitude between the cavity work in water and in liquid alkane. These properties explain why the transfer free energy has comparable values (with opposite signs) in the two transfers. The current hydrophobic free energy is puzzling and poorly defined and needs a new definition and method of measurement. PMID:22529345

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

New model system in radiation cryochemistry:. hyperquenched glassy water

NASA Astrophysics Data System (ADS)

Bednarek, Janusz; Plonka, Andrzej; Hallbrucker, Andreas; Mayer, Erwin

1999-08-01

Radicals generated by high-energy irradiation of liquid water, short-lived at ambient temperature, can be studied at cryogenic temperatures after irradiating water and dilute aqueous solutions in their glassy states which can be obtained by so-called hyperquenching of the liquids at cooling rates of ˜10 6-10 7 K s -1. In the glassy states of hyperquenched dilute aqueous solutions there is no problem with phase separation and radiolysis of glassy water is quite distinct from radiolysis of polycrystalline ice obtained from liquid water on slow-cooling in liquid nitrogen.

Phase behavior and formation of o/w nano-emulsion in vegetable oil/ mixture of polyglycerol polyricinoleate and polyglycerin fatty acid ester/water systems.

PubMed

Wakisaka, Satoshi; Nakanishi, Masami; Gohtani, Shoichi

2014-01-01

It is reported that mixing polyglycerol polyricinoleate (PGPR) and polyglycerol laurilester has a great emulsifying capacity, and consequently fine oil-in-water (o/w) emulsions can be formed. However, the role of PGPR is not clear. The objective of this research is to investigate the phase behavior of vegetable oil/mixture of PGPR and polyglycerol fatty acid ester/water systems, and to clarify the role of PGPR in making a fine emulsion. Phase diagrams were constructed to elucidate the optimal process for preparing fine emulsions. In all the systems examined in this study, the phases, including the liquid crystal phase (L(c)) and sponge phase (L(3)), spread widely in the phase diagrams. We examined droplet size of the emulsions prepared from each phase and found that o/w nano-emulsions with droplet sizes as small as 50 nm were formed by emulsifying either from a single L(3) phase or a two-phase region, L(c) + L(3). These results indicate that a sponge phase L(3) or liquid crystal phase L(c) or both is necessary to form an o/w nano-emulsion whose average droplet diameter is less than 50 nm for PGPR and polyglycerin fatty acid ester mixtures used as surfactant.

Cross sections for Scattering and Mobility of OH- and H3 O+ ions in H2 O

NASA Astrophysics Data System (ADS)

Petrovic, Zoran; Stojanovic, Vladimir; Maric, Dragana; Jovanovic, Jasmina

2016-05-01

Modelling of plasmas in liquids and in biological and medical applications requires data for scattering of all charged and energetic particles in water vapour. We present swarm parameters for OH- and H3 O+, as representatives of principal negative and positive ions at low pressures in an attempt to provide the data that are not yet available. We applied Denpoh-Nanbu procedure to calculate cross section sets for collisions of OH- and H3 O+ ions with H2 O molecule. Swarm parameters for OH- and H3 O+ ions in H2 O are calculated by using a well tested Monte Carlo code for a range of E / N(E -electric field, N-gas density) at temperature T = 295 K, in the low pressure limit. Non-conservative processes were shown to strongly influence the transport properties even for OH- ions above the average energy of 0.2 eV(E / N >200 Td). The data are valid for low pressure water vapour or small amounts in mixtures. They will provide a basis for calculating properties of ion-water molecule clusters that are most commonly found at higher pressures and for modelling of discharges in liquids. Acknowledgment to Ministry of Education, Science and Technology of Serbia.

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

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.

Quantitative determination of rocuronium in human plasma by liquid chromatography-electrospray ionization mass spectrometry.

PubMed

Farenc, C; Enjalbal, C; Sanchez, P; Bressolle, F; Audran, M; Martinez, J; Aubagnac, J L

2001-02-23

Liquid chromatography-electrospray ionization mass spectrometry (LC-ESI-MS) was used for the quantification of the neuromuscular blocking agent rocuronium in human plasma. Verapamil was used as internal standard. The samples were subjected to a dichloromethane liquid-liquid extraction after ion pairing of the positively charged ammonium compound with iodide prior to LC-MS. Optimized conditions involved separation on a Symmetry Shield RP-18 column (50 x 2.1 mm, 3.5 microm) using a 15-min gradient from 10 to 90% acetonitrile in water containing 0.1% trifluoroacetic acid at 250 microl/min. Linear detector responses for standards were observed from 25 to 2,000 ng/ml. The extraction recovery averaged 59% for rocuronium and 83% for the internal standard. The limit of quantification (LOQ), using 500 microl of plasma, was 25 ng/ml. Precision ranged from 1.3 to 19% (LOQ), and accuracy was between 92 and 112%. In plasma samples, at 20 and 4 degrees C, rocuronium was stable at physiological pH for 4 h; frozen at -30 degrees C it was stable for at least 75 days. The method was found suitable for the analysis of samples collected during pharmacokinetic investigations in humans.

Surface forces between hydrophilic silica surfaces in a moisture-sensitive oleophilic diacrylate monomer liquid

NASA Astrophysics Data System (ADS)

Ito, Shunya; Kasuya, Motohiro; Kurihara, Kazue; Nakagawa, Masaru

2018-02-01

We measured the surface forces generated between fused silica surfaces in a low-viscosity oleophilic diacrylate monomer for reliably repeated ultraviolet (UV) nanoimprinting, and studied the influence of water in monomer liquids on the forces. Fused silica surfaces, with a static contact angle of 52.6 ± 1.7° for water, owing to the low degree of hydroxylation, hardly showed reproducible surface forces with repeated scan cycles, comprising approach and separation, even in an identical liquid monomer medium with both of low and high water content. The monomer liquid with a high water content of approximately 420 ppm showed a greater tendency to increase the surface forces at longer surface-surface distances compared with the monomer liquid with a low water content of approximately 60 ppm. On the other hand, silica surfaces with a water contact angle of < 5° after exposure to vacuum UV (VUV) light under a reduced air pressure showed reproducible profiles of surfaces forces using the monomer with a low water concentration of approximately 60 ppm for repeated surface forces scan cycles even in separately prepared silica surfaces, whilst they showed less reproducible profiles in the liquids with high water content of 430 ppm. These results suggested that water possibly adsorbed on the hydrophilic and hydrophobic silica surfaces in the monomer liquid of the high water concentration influenced the repeatability of the surface forces profiles.

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.

Performance characteristics of two bioassays and high-performance liquid chromatography for determination of flucytosine in serum.

PubMed Central

St-Germain, G; Lapierre, S; Tessier, D

1989-01-01

We compared the accuracy and precision of two microbiological methods and one high-pressure liquid chromatography (HPLC) procedure used to measure the concentrations of flucytosine in serum. On the basis of an analysis of six standards, all methods were judged reliable within acceptable limits for clinical use. With the biological methods, a slight loss of linearity was observed in the 75- to 100-micrograms/ml range. Compared with the bioassays, the HPLC method did not present linearity problems and was more precise and accurate in the critical zone of 100 micrograms/ml. On average, results obtained with patient sera containing 50 to 100 micrograms of flucytosine per ml were 10.6% higher with the HPLC method than with the bioassays. Standards for the biological assays may be prepared in serum or water. PMID:2802566

ITER Cryoplant Infrastructures

NASA Astrophysics Data System (ADS)

Fauve, E.; Monneret, E.; Voigt, T.; Vincent, G.; Forgeas, A.; Simon, M.

2017-02-01

The ITER Tokamak requires an average 75 kW of refrigeration power at 4.5 K and 600 kW of refrigeration Power at 80 K to maintain the nominal operation condition of the ITER thermal shields, superconducting magnets and cryopumps. This is produced by the ITER Cryoplant, a complex cluster of refrigeration systems including in particular three identical Liquid Helium Plants and two identical Liquid Nitrogen Plants. Beyond the equipment directly part of the Cryoplant, colossal infrastructures are required. These infrastructures account for a large part of the Cryoplants lay-out, budget and engineering efforts. It is ITER Organization responsibility to ensure that all infrastructures are adequately sized and designed to interface with the Cryoplant. This proceeding presents the overall architecture of the cryoplant. It provides order of magnitude related to the cryoplant building and utilities: electricity, cooling water, heating, ventilation and air conditioning (HVAC).

Subsurface injection of liquid waste in Florida, United States of America

USGS Publications Warehouse

Vecchioli, John

1981-01-01

In 1979, liquid waste was injected into the subsurface of Florida by 10 injection systems at an aggregate average rate of 165,000 m3/d. All the systems inject into carbonate rocks that contain salty water. Extensive precautions are taken in the construction of the injection wells and in the monitoring of their operation to provide assurance that overlying and laterally contiguous freshwater resources do not become contaminated with either the injected waste or the saltwater displaced by the waste. Several concerns relating to the effectiveness of the confining bed above the injection zone for containing the injected wastes have arisen over the years. These concerns accentuate the value of a well-planned and implemented monitoring program from which one can evaluate the potential impact of waste injection on the subsurface environment.

Microphysical Characteristics of Tropical Updrafts in Clean Conditions.

NASA Astrophysics Data System (ADS)

Stith, Jeffrey L.; Haggerty, Julie A.; Heymsfield, Andrew; Grainger, Cedric A.

2004-05-01

The distributions of ice particles, precipitation embryos, and supercooled water are examined within updrafts in convective clouds in the Amazon and at Kwajalein, Marshall Islands, based on in situ measurements during two Tropical Rainfall Measuring Mission field campaigns. Composite vertical profiles of liquid water, small particle concentration, and updraft/downdraft magnitudes exhibit similar peak values for the two tropical regions. Updrafts were found to be favored locations for precipitation embryos in the form of liquid or frozen drizzle-sized droplets. Most updrafts glaciated rapidly, removing most of the liquid water between -5° and -17°C. However, occasional encounters with liquid water occurred in much colder updraft regions. The updraft magnitudes where liquid water was observed at cold (e.g., -16° to -19°C) temperatures do not appear to be stronger than updrafts without liquid water at similar temperatures, however. The concentrations of small spherical frozen particles in glaciated regions without liquid water are approximately one-half of the concentrations in regions containing liquid cloud droplets, suggesting that a substantial portion of the cloud droplets may be freezing at relatively warm temperatures. Further evidence for a possible new type of aggregate ice particle, a chain aggregate found at cloud midlevels, is given.

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.

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.

Magnetic properties experiments on the Mars exploration Rover Spirit at Gusev Crater.

PubMed

Bertelsen, P; Goetz, W; Madsen, M B; Kinch, K M; Hviid, S F; Knudsen, J M; Gunnlaugsson, H P; Merrison, J; Nørnberg, P; Squyres, S W; Bell, J F; Herkenhoff, K E; Gorevan, S; Yen, A S; Myrick, T; Klingelhöfer, G; Rieder, R; Gellert, R

2004-08-06

The magnetic properties experiments are designed to help identify the magnetic minerals in the dust and rocks on Mars-and to determine whether liquid water was involved in the formation and alteration of these magnetic minerals. Almost all of the dust particles suspended in the martian atmosphere must contain ferrimagnetic minerals (such as maghemite or magnetite) in an amount of approximately 2% by weight. The most magnetic fraction of the dust appears darker than the average dust. Magnetite was detected in the first two rocks ground by Spirit.

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.

Determination of blade-to-coolant heat-transfer coefficients on a forced-convection, water-cooled, single-stage turbine

NASA Technical Reports Server (NTRS)

Freche, John C; Schum, Eugene F

1951-01-01

Blade-to-coolant convective heat-transfer coefficients were obtained on a forced-convection water-cooled single-stage turbine over a large laminar flow range and over a portion of the transition range between laminar and turbulent flow. The convective coefficients were correlated by the general relation for forced-convection heat transfer with laminar flow. Natural-convection heat transfer was negligible for this turbine over the Grashof number range investigated. Comparison of turbine data with stationary tube data for the laminar flow of heated liquids showed good agreement. Calculated average midspan blade temperatures using theoretical gas-to-blade coefficients and blade-to-coolant coefficients from stationary-tube data resulted in close agreement with experimental data.

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.

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

Process for removing sulfate anions from waste water

DOEpatents

Nilsen, David N.; Galvan, Gloria J.; Hundley, Gary L.; Wright, John B.

1997-01-01

A liquid emulsion membrane process for removing sulfate anions from waste water is disclosed. The liquid emulsion membrane process includes the steps of: (a) providing a liquid emulsion formed from an aqueous strip solution and an organic phase that contains an extractant capable of removing sulfate anions from waste water; (b) dispersing the liquid emulsion in globule form into a quantity of waste water containing sulfate anions to allow the organic phase in each globule of the emulsion to extract and absorb sulfate anions from the waste water and (c) separating the emulsion including its organic phase and absorbed sulfate anions from the waste water to provide waste water containing substantially no sulfate anions.

Synthesis and characterization of nanometric zinc oxide for a stationary phase in liquid chromatography

NASA Astrophysics Data System (ADS)

Gordillo-Delgado, F.; Soto-Barrera, C. C.; Plazas-Saldaña, J.

2017-01-01

The increasing demand for equipment to remove organic compounds in industry and research activity has led to evaluate nanometric zinc oxide (ZnO). In this work, we present the ZnO nanoparticles synthesis for reusing of discarded columns, as a low-cost alternative. The compound was obtained by sol-gel technique using zinc chloride and sodium hydroxide as precursors and a drying temperature of 169°C. An X-ray diffractometer was used to estimate the average particle size at 20.3±0.2nm the adsorption capacity was 0.0144L/g and the chemical resistance was tested with HCl and NaOH. The ZnO nanopowder was packed with 100psi pressure in an empty C-18 column cavity. The column packing resolution was evaluated using a high performance liquid chromatographer (HPLC-Thermo Scientific Dionex UltiMate 3000); using a caffeine standard, the following parameters were established: solvent flow: 1.2mL/min, average column temperature: 40°C, running time: 10 minutes, mobile phase acetonitrile-water composition (9:1). These results validate the potential of ZnO nanopowder as a column packing material in HPLC technique.

Removal of Salmonella Enteritidis from commercial unpasteurized liquid egg white using pilot scale cross flow tangential microfiltration.

PubMed

Mukhopadhyay, Sudarsan; Tomasula, Peggy M; Luchansky, John B; Porto-Fett, Anna; Call, Jeffrey E

2010-09-01

Effectiveness of a cross flow microfiltration (MF) process for removal of a cocktail of Salmonella enterica serovar Enteritidis species from commercial unpasteurized liquid egg white (LEW) from a local egg breaking plant, while maintaining its functional properties was evaluated. To facilitate MF, LEW was wedge screened, homogenized and then diluted (1:2 w/w) with distilled water containing 0.5% sodium chloride. Diluted unpasteurized LEW was inoculated with five strains of S. Enteritidis (ATCC 4931, ATCC BAA-708, ATCC 49215, ATCC 49218, and ATCC BAA-1045) to a level of approximately 10(7)CFU/mL of LEW and microfiltered using a ceramic membrane. Process parameters influencing egg white functional properties and pathogen removal efficiency were evaluated. Average permeates flux increased by almost 126% when pH of LEW was adjusted from pH 8 to pH 7 at 25 degrees C. Microbial removal efficiency was at least, on average, 6.8Log(10)CFU/mL (limit of detection < or =0.5Log(10)CFU/mL). Functional property analysis indicated that the MF process did not alter the foaming power of LEW. Published by Elsevier B.V.

[Anomalous Properties of Water and Aqueous Solutions at Low Temperatures].

PubMed

Matsumoto, Masakazu

2015-01-01

Water has many anomalous properties below the room temperature. The temperature range overlaps with that of the Earth's atmosphere and also with that natural life forms favor. We review the origin of the anomalous properties of water and aqueous solutions in association with the hypothetical second critical point and liquid-liquid phase separation of water hidden in the supercooled state of liquid water.

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 alkyl tail length increases, the changes in the binary mixtures’ properties become more pronounced.« less

A general strategy for performing temperature-programming in high performance liquid chromatography--further improvements in the accuracy of retention time predictions of segmented temperature gradients.

PubMed

Wiese, Steffen; Teutenberg, Thorsten; Schmidt, Torsten C

2012-01-27

In the present work it is shown that the linear elution strength (LES) model which was adapted from temperature-programming gas chromatography (GC) can also be employed for systematic method development in high-temperature liquid chromatography (HT-HPLC). The ability to predict isothermal retention times based on temperature-gradient as well as isothermal input data was investigated. For a small temperature interval of ΔT=40°C, both approaches result in very similar predictions. Average relative errors of predicted retention times of 2.7% and 1.9% were observed for simulations based on isothermal and temperature-gradient measurements, respectively. Concurrently, it was investigated whether the accuracy of retention time predictions of segmented temperature gradients can be further improved by temperature dependent calculation of the parameter S(T) of the LES relationship. It was found that the accuracy of retention time predictions of multi-step temperature gradients can be improved to around 1.5%, if S(T) was also calculated temperature dependent. The adjusted experimental design making use of four temperature-gradient measurements was applied for systematic method development of selected food additives by high-temperature liquid chromatography. Method development was performed within a temperature interval from 40°C to 180°C using water as mobile phase. Two separation methods were established where selected food additives were baseline separated. In addition, a good agreement between simulation and experiment was observed, because an average relative error of predicted retention times of complex segmented temperature gradients less than 5% was observed. Finally, a schedule of recommendations to assist the practitioner during systematic method development in high-temperature liquid chromatography was established. Copyright © 2011 Elsevier B.V. All rights reserved.

Chembio extraction on a chip by nanoliter droplet ejection.

PubMed

Yu, Hongyu; Kwon, Jae Wan; Kim, Eun Sok

2005-03-01

This paper describes a novel liquid separation technique for chembio extraction by an ultrasonic nanoliter-liquid-droplet ejector built on a PZT sheet. This technique extracts material from an aqueous two-phase system (ATPS) in a precise amount through digital control of the number of nanoliter droplets, without any mixing between the two liquids in the ATPS. The ultrasonic droplet ejector uses an acoustic streaming effect produced by an acoustic beam focused on the liquid surface, and ejects liquid droplets only from the liquid surface without disturbing most of the liquid below the surface. This unique characteristic of the focused acoustic beam is perfect (1) for separating a top-layer liquid (from the bulk of liquid) that contains particles of interest or (2) for recovering a top-layer liquid that has different phase from a bottom-layer liquid. Three kinds of liquid extraction are demonstrated with the ultrasonic droplet ejector: (1) 16 microl of top layer in Dextran-polyethylene glycol-water ATPS (aqueous two-phase system) is recovered within 20 s; (2) micron sized particles that float on water surface are ejected out with water droplets; and (3) oil layer on top of water is separated out.

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.

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.

Theory of hydrophobicity: transient cavities in molecular liquids

NASA Technical Reports Server (NTRS)

Pratt, L. R.; Pohorille, A.

1992-01-01

Observation of the size distribution of transient cavities in computer simulations of water, n-hexane, and n-dodecane under benchtop conditions shows that the sizes of cavities are more sharply defined in liquid water but the most-probable-size cavities are about the same size in each of these liquids. The calculated solvent atomic density in contact with these cavities shows that water applies more force per unit area of cavity surface than do the hydrocarbon liquids. This contact density, or "squeezing" force, reaches a maximum near cavity diameters of 2.4 angstroms. The results for liquid water are compared to the predictions of simple theories and, in addition, to results for a reference simple liquid. The numerical data for water at a range of temperatures are analyzed to extract a surface free energy contribution to the work of formation of atomic-size cavities. Comparison with the liquid-vapor interfacial tensions of the model liquids studied here indicates that the surface free energies extracted for atomic-size cavities cannot be accurately identified with the macroscopic surface tensions of the systems.

Theory of hydrophobicity: Transient cavities in molecular liquids

PubMed Central

Pratt, Lawrence R.; Pohorille, Andrew

1992-01-01

Observation of the size distribution of transient cavities in computer simulations of water, n-hexane, and n-dodecane under benchtop conditions shows that the sizes of cavities are more sharply defined in liquid water but the most-probable-size cavities are about the same size in each of these liquids. The calculated solvent atomic density in contact with these cavities shows that water applies more force per unit area of cavity surface than do the hydrocarbon liquids. This contact density, or “squeezing” force, reaches a maximum near cavity diameters of 2.4 Å. The results for liquid water are compared to the predictions of simple theories and, in addition, to results for a reference simple liquid. The numerical data for water at a range of temperatures are analyzed to extract a surface free energy contribution to the work of formation of atomic-size cavities. Comparison with the liquid-vapor interfacial tensions of the model liquids studies here indicates that the surface free energies extracted for atomic-size cavities cannot be accurately identified with the macroscopic surface tensions of the systems. PMID:11537863

Contaminated water treatment

NASA Technical Reports Server (NTRS)

Gormly, Sherwin J. (Inventor); Flynn, Michael T. (Inventor)

2010-01-01

Method and system for processing of a liquid ("contaminant liquid") containing water and containing urine and/or other contaminants in a two step process. Urine, or a contaminated liquid similar to and/or containing urine and thus having a relatively high salt and urea content is passed through an activated carbon filter to provide a resulting liquid, to remove most of the organic molecules. The resulting liquid is passed through a semipermeable membrane from a membrane first side to a membrane second side, where a fortified drink having a lower water concentration (higher osmotic potential) than the resulting liquid is positioned. Osmotic pressure differential causes the water, but not most of the remaining inorganic (salts) contaminant(s) to pass through the membrane to the fortified drink. Optionally, the resulting liquid is allowed to precipitate additional organic molecules before passage through the membrane.

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.

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

Liquid Between Macromolecules in Protein Crystals: Static Versus Dynamics

NASA Technical Reports Server (NTRS)

Chernov, A. A.

2005-01-01

Protein crystals are so fragile that they often can not be handled by tweezers. Indeed, measurements of the Young modulus, E, of lysozyme crystals resulted in E approx. equals 0.1 - 1 GPa, the lower figures, 0.1 - 0.5 GPa, being obtained from triple point bending of as-grown and not cross-linked crystals sitting in solution. The bending strength was found to be approx.10(exp -2) E. On the other hand, ultrasound speed and Mandelstam-Raman-Brilloin light scattering experiments led to much higher figures, E approx. equals 2.7 GPa. The lower figures for E were found from static or low frequency crystal deformations measurements, while the higher moduli are based on high frequency lattice vibrations, 10(exp 7) - 10(exp 10) 1/s. The physical reason for the about an order of magnitude discrepancy is in different behavior of water filling space between protein molecules. At slow lattice deformation, the not-bound intermolecular water has enough time to flow from the compressed to expanded regions of the deformed crystal. At high deformation frequencies in the ultra- and hypersound waves, the water is confined in the intermolecular space and, on that scale, behaves like a solid, thus contributing to the elastic crystal moduli. In this case, the reciprocal crystal modulus is expected to be an average of the water protein and water compressibilities (reciprocal compressibilities): the bulk modulus for lysozyme is 26 GPa, for water it is 7 GPa. Anisotropy of the crystal moduli comes from intermolecular contacts within the lattice while the high frequency hardness comes from the bulk of protein molecules and water bulk moduli. These conclusions are based on the analysis of liquid flow in porous medium to be presented.

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.

Esophageal function testing using multichannel intraluminal impedance.

PubMed

Srinivasan, R; Vela, M F; Katz, P O; Tutuian, R; Castell, J A; Castell, D O

2001-03-01

Multichannel intraluminal impedance (MII) is a new technique for evaluation of bolus transport. We evaluated esophageal function using bolus transport time (BTT) and contraction wave velocity (CWV) of liquid, semisolid, and solid boluses. Ten healthy subjects underwent MII swallow evaluation with various boluses of sterile water (pH 5), applesauce, three different sized marshmallows, and iced and 130 degrees F water. The effect of bethanechol was also studied. There was no difference in BTT or CWV for all water volumes from 1 to 20 ml. There was significant linear increase of BTT with progressively larger volumes of applesauce, and BTT of applesauce was longer than for water. BTT was significantly longer with large marshmallows vs. small and medium and was longer than for water. BTT for iced water was similar to 130 degrees F water. Applesauce showed a significant linear decrease of CWV with progressively larger volumes and was slower than water. Marshmallow showed significantly slower CWV with the large vs. small, and CWV for ice water was significantly slower than 130 degrees F water. Therefore, BTT of liquid is constant, whereas BTT of semisolid and solid are volume dependent and longer than liquids. CWV of semisolids and solids are slower than liquids. CWV of cold liquids is slower than warm liquids. MII can be used as a discriminating test of esophageal function.

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

Screen Channel Liquid Acquisition Devices for Cryogenic Propellants

NASA Technical Reports Server (NTRS)

Chato, David J.; Kudlac, Maureen T.

2005-01-01

This paper describes an on-going project to study the application screen channel liquid acquisition devices to cryogenic propellant systems. The literature of screen liquid acquisition devices is reviewed for prior cryogenic experience. Test programs and apparatus are presented to study these devices. Preliminary results are shown demonstrating bubble points for 200 x 1400 wires per inch and 325 x 2300 wires per inch Dutch twill screens. The 200 x 1400 screen has a bubble point of 15.8 inches of water in isopropyl alcohol and 6.6 inches of water in liquid nitrogen. The 325 x 2300 screen has a bubble point of 24.5 inches of water in isopropyl alcohol, 10.7 inches of water in liquid nitrogen, and 1.83 inches of water in liquid hydrogen. These values are found to be in good agreement with the results reported in the literature.

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.

Cultivation of macroscopic marine algae and freshwater aquatic weeds. Progress report, May 1, 1978-September 30, 1979

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

Ryther, J.H.

1980-04-01

Studies were continued during 1977-1978 on the growth and yields in culture of the red seaweed Gracilaria tikvahiae. Partial control of epiphytes was achieved by nutrient removal, shading, and/or biological agents. For the first time, a single clone of the alga was grown continuously throughout the year without replacement. Yields in large (2600 1) aluminum tanks averaged 21.4 g dry weight/m/sup 2/.day, equivalent to 31 tons/acre.year (15.5 ash-free dry wt tons/acre.year). Growth of gracilaria and other seaweeds in Vexar-mesh baskets in natural habitats and in the oceanic waters of a power plant cooling water intake canal were unsuccessful. Productivity ofmore » the freshwater macrophytes Lemna minor (common duckweed), Eichhornia crassipes (water hyacinth), and Hydrilla verticillata have now been measured throughout the year with mean yields of 3.7, 24.2 and 4.2 g dry weight/m/sup 2/.day (5.4, 35.3, and 6.1 dry tons/acre.year) respectively. Yields of duckweed and water hyacinths in the Harbor Branch Foundation culture units have averaged roughly three times those of the same species growing in highly-eutrophic natural environments. Chopped water hyacinths and unprocessed Gracilaria have both been successfully fermented to methane in anaerobic digesters and the liquid digester residues recycled to produce more of the same plants. A preliminary budget for recycled nitrogen has been determined for water hyacinths. Productivity of both water hyacinths and Gracilaria has been calculated from nitrate-nitrogen assimilation and good agreement with measured yields was obtained.« less

Improving distillation method and device of tritiated water analysis for ultra high decontamination efficiency.

PubMed

Fang, Hsin-Fa; Wang, Chu-Fang; Lin, Chien-Kung

2015-12-01

It is important that monitoring environmental tritiated water for understanding the contamination dispersion of the nuclear facilities. Tritium is a pure beta radionuclide which is usually measured by Liquid Scintillation Counting (LSC). The average energy of tritum beta is only 5.658 keV that makes the LSC counting of tritium easily be interfered by the beta emitted by other radionuclides. Environmental tritiated water samples usually need to be decontaminated by distillation for reducing the interference. After Fukushima Nucleaer Accident, the highest gross beta concentration of groundwater samples obtained around Fukushima Daiichi Nuclear Power Station is over 1,000,000 Bq/l. There is a need for a distillation with ultra-high decontamination efficiency for environmental tritiated water analysis. This study is intended to improve the heating temperature control for better sub-boiling distillation control and modify the height of the container of the air cooling distillation device for better fractional distillation effect. The DF of Cs-137 of the distillation may reach 450,000 which is far better than the prior study. The average loss rate of the improved method and device is about 2.6% which is better than the bias value listed in the ASTM D4107-08. It is proven that the modified air cooling distillation device can provide an easy-handling, water-saving, low cost and effective way of purifying water samples for higher beta radionuclides contaminated water samples which need ultra-high decontamination treatment. Copyright © 2015 Elsevier Ltd. All rights reserved.

Influence of Sodium Chloride on the Formation and Dissociation Behavior of CO2 Gas Hydrates.

PubMed

Holzammer, Christine; Schicks, Judith M; Will, Stefan; Braeuer, Andreas S

2017-09-07

We present an experimental study on the formation and dissociation characteristics of carbon dioxide (CO 2 ) gas hydrates using Raman spectroscopy. The CO 2 hydrates were formed from sodium chloride/water solutions with salinities of 0-10 wt %, which were pressurized with liquid CO 2 in a stirred vessel at 6 MPa and a subcooling of 9.5 K. The formation of the CO 2 hydrate resulted in a hydrate gel where the solid hydrate can be considered as the continuous phase that includes small amounts of a dispersed liquid water-rich phase that has not been converted to hydrate. During the hydrate formation process we quantified the fraction of solid hydrate, x H , and the fraction of the dispersed liquid water-rich phase, x L , from the signature of the hydroxyl (OH)-stretching vibration of the hydrate gel. We found that the fraction of hydrate x H contained in the hydrate gel linearly depends on the salinity of the initial liquid water-rich phase. In addition, the ratio of CO 2 and water was analyzed in the liquid water-rich phase before hydrate formation, in the hydrate gel during growth and dissociation, and after its complete dissociation again in the liquid water-rich phase. We observed a supersaturation of CO 2 in the water-rich phase after complete dissociation of the hydrate gel and were able to show that the excess CO 2 exists as dispersed micro- or nanoscale liquid droplets in the liquid water-rich phase. These residual nano- and microdroplets could be a possible explanation for the so-called memory effect.

Effect of Liquid Surface Turbulent Motion on the Vapor Condensation in a Mixing Tank

NASA Technical Reports Server (NTRS)

Lin, C. S.; Hasan, M. M.

1991-01-01

The effect of liquid surface motion on the vapor condensation in a tank mixed by an axial turbulent jet is numerically investigated. The average value (over the interface area) of the root-mean-squared (rms) turbulent velocity at the interface is shown to be linearly increasing with decreasing liquid height and increasing jet diameter for a given tank size. The average rms turbulent velocity is incorporated in Brown et al. (1990) condensation correlation to predict the condensation of vapor on a liquid surface. The results are in good agreement with available condensation data.

Seasonally-Active Water on Mars: Vapour, Ice, Adsorbate, and the Possibility of Liquid

NASA Astrophysics Data System (ADS)

Richardson, M. I.

2002-12-01

Seasonally-active water can be defined to include any water reservoir that communicates with other reservoirs on time scales of a year or shorter. It is the interaction of these water reservoirs, under the influence of varying solar radiation and in conjunction with surface and atmospheric temperatures, that determines the phase-stability field for water at the surface, and the distribution of water in various forms below, on, and above the surface. The atmosphere is the critical, dynamical link in this cycling system, and also (fortunately) one of the easiest to observe. Viking and Mars Global Surveyor observations paint a strongly asymmetric picture of the global seasonal water cycle, tied proximately to planetary eccentricity, and the existence of residual ice caps of different composition at the two poles. The northern summer experiences the largest water vapour columns, and is associated with sublimation from the northern residual water ice cap. The southern summer residual carbon dioxide ice cap is cold trap for water. Asymmetry in the water cycle is an unsolved problem. Possible solutions may involve the current timing of perihelion (the water cap resides at the pole experiencing the longer but cooler summer), the trapping of water ice in the northern hemisphere by tropical water ice clouds, and the bias in the annual-average, zonal-mean atmospheric circulation resulting from the zonal-mean difference in the elevation of the northern and southern hemispheres. Adsorbed and frozen water have proven harder to constrain. Recent Odyssey Gamma Ray Spectrometer results suggest substantial ground ice in the mid- and high-latitudes, but this water is likely below the seasonal skin depth for two reasons: the GRS results are best fit with such a model, and GCM models of the water cycle produce dramatically unrealistic atmospheric vapour distributions when such a very near surface, GRS-like distribution is initialized - ultimately removing the water to the northern and 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.

Effect of electronic cigarettes on human middle ear.

PubMed

Song, Jae-Jun; Go, Yoon Young; Mun, Ji Yoen; Lee, Sehee; Im, Gi Jung; Kim, Yoo Yon; Lee, Jun Ho; Chang, Jiwon

2018-06-01

Electronic cigarettes (e-cigarettes) are the most commonly used electronic nicotine delivery systems and are a relatively new product designed for smoking cessation. The market scale of electronic cigarettes is growing rapidly, but the potential impact of e-cigarettes on public health has not yet been verified. In this study, we examined the effect of e-liquids on a human middle ear epithelial cell (HMEEC) line. The main components of e-liquids are propylene glycol, vegetable glycerin and flavoring agents with or without nicotine. We analyzed 73 bottles of e-liquids from 12 different manufacturers, evaluated the trace elements in e-liquids, and identified the cytotoxicity of e-liquids on HMEECs in the presence or absence of nicotine. In the trace elements analysis, nickel, arsenic, cadmium, and lead were detected in the e-liquids. E-liquids without nicotine decreased cell viability, and the average IC 50 value of total e-liquids (n = 73) was 2.48 ± 0.93%. Among the different flavors, menthol-flavored e-liquids significantly reduced cell viability, and their average IC 50 value (n = 28) was 1.85 ± 0.80%. The average IC 50 values were distinct among manufacturers and the proportion of the solvents. The present study provides evidence that e-cigarettes influence and reduce human middle ear cell viability even without the application of nicotine. Additionally, the cytotoxicity of e-liquids was affected by the flavoring agents. Copyright © 2018 Elsevier B.V. All rights reserved.

Coherent Vortices in Strongly Coupled Liquids

NASA Astrophysics Data System (ADS)

Ashwin, J.; Ganesh, R.

2011-04-01

Strongly coupled liquids are ubiquitous in both nature and laboratory plasma experiments. They are unique in the sense that their average potential energy per particle dominates over the average kinetic energy. Using “first principles” molecular dynamics (MD) simulations, we report for the first time the emergence of isolated coherent tripolar vortices from the evolution of axisymmetric flows in a prototype two-dimensional (2D) strongly coupled liquid, namely, the Yukawa liquid. Linear growth rates directly obtained from MD simulations are compared with a generalized hydrodynamic model. Our MD simulations reveal that the tripolar vortices persist over several turn over times and hence may be observed in strongly coupled liquids such as complex plasma, liquid metals and astrophysical systems such as white dwarfs and giant planetary interiors, thereby making the phenomenon universal.

'De-watering' capabilities of surfactants in human amniotic fluid.

PubMed Central

Hills, B A

1984-01-01

The phospholipid extracts from each of eleven samples of human amniotic fluid obtained from eleven full-term births were deposited as orientated monolayers adsorbed to glass. The surfaces were found to be rendered hydrophobic with maximum contact angles averaging 54.5 degrees while, upon withdrawing fluid, the edge of the saline pool receded to expose dry surface with minimum contact angles averaging 15.4 degrees. The extracts were found to be surface-active at the liquid-air interface and there was some indication that direct adsorption to solid surfaces was facilitated by calcium ions. It was found that, in all extracts, a continuous layer of saline adjacent to the adsorbed surface would break up spontaneously to expose dry surface when the thickness was reduced to an average of 764 micron, corresponding to several alveolar diameters. This phenomenon is discussed as a possible means of establishing dry patches on the alveolar membrane, especially in the new-born after the fetal alveolar wall has been exposed to the same surfactants in much the same physical form as found in amniotic fluid. Surfactant adsorbed directly to the tissue subphase is suggested as a physical basis for the discontinuity of the aqueous hypophase seen in many electron micrographs of the adult alveolus. This 'de-watering' of the alveolar surface could facilitate gas transfer. PMID:6546947

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.

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

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.

Volcano and ship tracks indicate excessive aerosol-induced cloud water increases in a climate model.

PubMed

Toll, Velle; Christensen, Matthew; Gassó, Santiago; Bellouin, Nicolas

2017-12-28

Aerosol-cloud interaction is the most uncertain mechanism of anthropogenic radiative forcing of Earth's climate, and aerosol-induced cloud water changes are particularly poorly constrained in climate models. By combining satellite retrievals of volcano and ship tracks in stratocumulus clouds, we compile a unique observational dataset and confirm that liquid water path (LWP) responses to aerosols are bidirectional, and on average the increases in LWP are closely compensated by the decreases. Moreover, the meteorological parameters controlling the LWP responses are strikingly similar between the volcano and ship tracks. In stark contrast to observations, there are substantial unidirectional increases in LWP in the Hadley Centre climate model, because the model accounts only for the decreased precipitation efficiency and not for the enhanced entrainment drying. If the LWP increases in the model were compensated by the decreases as the observations suggest, its indirect aerosol radiative forcing in stratocumulus regions would decrease by 45%.

Volcano and Ship Tracks Indicate Excessive Aerosol-Induced Cloud Water Increases in a Climate Model

NASA Astrophysics Data System (ADS)

Toll, Velle; Christensen, Matthew; Gassó, Santiago; Bellouin, Nicolas

2017-12-01

Aerosol-cloud interaction is the most uncertain mechanism of anthropogenic radiative forcing of Earth's climate, and aerosol-induced cloud water changes are particularly poorly constrained in climate models. By combining satellite retrievals of volcano and ship tracks in stratocumulus clouds, we compile a unique observational data set and confirm that liquid water path (LWP) responses to aerosols are bidirectional, and on average the increases in LWP are closely compensated by the decreases. Moreover, the meteorological parameters controlling the LWP responses are strikingly similar between the volcano and ship tracks. In stark contrast to observations, there are substantial unidirectional increases in LWP in the Hadley Centre climate model, because the model accounts only for the decreased precipitation efficiency and not for the enhanced entrainment drying. If the LWP increases in the model were compensated by the decreases as the observations suggest, its indirect aerosol radiative forcing in stratocumulus regions would decrease by 45%.

Process Intensification of Enzymatic Fatty Acid Butyl Ester Synthesis Using a Continuous Centrifugal Contactor Separator

PubMed Central

2017-01-01

Fatty acid butyl esters were synthesized from sunflower oil with 1-butanol using a homogeneous Rhizomucor miehei lipase in a biphasic organic (triglyceride, 1-butanol, hexane)– water (with enzyme) system in a continuous setup consisting of a cascade of a stirred tank reactor and a continuous centrifugal contactor separator (CCCS), the latter being used for integrated reaction and liquid–liquid separation. A fatty acid butyl ester yield up to 93% was obtained in the cascade when operated in a once-through mode. The cascade was run for 8 h without operational issues. Enzyme recycling was studied by reintroduction of the water phase from the CCCS outlet to the stirred tank reactor. Product yield decreased over time to an average of 50% of the initial value, likely due to accumulation of 1-butanol in water phase, loss of enzyme due to agglomeration, and the formation of a separate enzyme layer. PMID:29398779

Near infrared study of water-benzene mixtures at high temperatures and pressures.

PubMed

Jin, Yusuke; Ikawa, Shun-Ichi

2004-08-08

Near-infrared absorption of water-benzene mixtures has been measured at temperatures and pressures in the ranges of 473-673 K and 100-400 bar, respectively. Concentrations of water and benzene in the water-rich phase of the mixtures were obtained from the integrated absorption intensities of the OH stretching overtone transition of water and the CH stretching overtone transition of benzene, respectively. Using these concentrations, the densities of the water-rich phase were estimated and compared with the average densities before mixing, which were calculated from literature densities of neat water and neat benzene. It is found that anomalously large volume expansion on the mixing occurs in the region enclosed by an extended line of the three-phase equilibrium curve and the one-phase critical curve of the mixtures, and the gas-liquid equilibrium curve of water. Furthermore, magnitude of the relative volume change increases with decreasing molar fraction of benzene in the present experimental range. It is suggested that dissolving a small amount of benzene in water induces a change in the fluid density from a liquidlike condition to a gaslike condition in the vicinity of the critical region.

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

Borodin, Oleg; Price, David L.; Aoun, Bachir

The influence of water on the structure of a prototype ionic liquid (IL) 1-octyl-3-methyimidazolium tetrafluoroborate (C8mimBF4) is examined in the IL-rich regime using high-energy x-ray diffraction (HEXRD) and molecular dynamics (MD) simulations. A many-body polarizable force field APPLE&P was developed for C8mimBF4 water mixture. It predicts structure factors of pure IL and IL-water mixture in excellent agreement with the HEXRD experiments. The MD results provide detailed insights into the structural changes from the partial structure factors, 2-D projections of the simulation box and 3-D distribution functions. Water partitioning with IL and its competition with BF4- for complexing the imidazolium ringsmore » was examined. The added water molecules occupy a diffuse coordination shell around the imidazolium ring but are not present around the alkyl tail. The strong coordination of the fluorine atoms of the BF4- anions to the imidazolium ring is not significantly changed by the addition of water. These results are consistent with the very small differences in the average structure between the pure IL and the mixture.« less

Multivariate curve resolution-assisted determination of pseudoephedrine and methamphetamine by HPLC-DAD in water samples.

PubMed

Vosough, Maryam; Mohamedian, Hadi; Salemi, Amir; Baheri, Tahmineh

2015-02-01

In the present study, a simple strategy based on solid-phase extraction (SPE) with a cation exchange sorbent (Finisterre SCX) followed by fast high-performance liquid chromatography (HPLC) with diode array detection coupled with chemometrics tools has been proposed for the determination of methamphetamine and pseudoephedrine in ground water and river water. At first, the HPLC and SPE conditions were optimized and the analytical performance of the method was determined. In the case of ground water, determination of analytes was successfully performed through univariate calibration curves. For river water sample, multivariate curve resolution and alternating least squares was implemented and the second-order advantage was achieved in samples containing uncalibrated interferences and uncorrected background signals. The calibration curves showed good linearity (r(2) > 0.994).The limits of detection for pseudoephedrine and methamphetamine were 0.06 and 0.08 μg/L and the average recovery values were 104.7 and 102.3% in river water, respectively. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Measurement of tritium in natural water

NASA Astrophysics Data System (ADS)

Li, Meifen

1985-06-01

A detergent-scintillation liquid mixture applied to measure low specific activity of tritium in natural water was studied. The DYS-1 low level liquid scintillation counter designed and manufactured by our institute was employed. In comparing the Triton X-100 scintillation liquid mixture with the dioxane-based-scintillation liquid, a better formula for Triton X-100 scintillation liquid mixture was determined, the mixture possesses the quality of high water content; high efficiency and low back-ground in measuring tritium in water. Chemiluminescence of the Triton X-100 scintillation liquid mixture can be totally de-excited in short time. It can be employed at ambient temperature 11 28°C. For 20ml sample in quartz vials, counting efficiency is 15% with a background 2.17 cpm, Y=31 TU (t=30 min).

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...

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.

Lilienfeld Prize Talk: New Results on Water in Bulk, Nanoconfined, and Biological Environments

NASA Astrophysics Data System (ADS)

Stanley, H. Eugene

2008-04-01

This talk will introduce some of the 63 unsolved mysteries of water, and will demonstrate some recent progress in solving them combining information provided by water in bulk, nanoconfined, and biological environments. In particular, we will present evidence from experiments designed to test the hypothesis that water displays ``polymorphism'' in that it can exist in two liquid different phases and display a novel liquid-liquid critical point. The concept of liquid polymorphism is also proving useful in understanding some of the anomalies of other liquids with local tetrahedral symmetry, such as silicon, silica, and carbon. In particular, the talk will discuss changes in dynamic transport properties [1], and water in biological environments, including a possible physical explanation for the phenomenon known as the protein glass transition [2]. [1] P. Kumar, S. V. Buldyrev, S. L. Becker, P. H. Poole, F. W. Starr, and H. E. Stanley, ``Relation between the Widom line and the Breakdown of the Stokes--Einstein Relation in Supercooled Water,'' Proc. Natl. Acad. Sci. USA 104, 9575-9579 (2007). [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).

Establishment and assessment of an integrated citric acid-methane production process.

PubMed

Xu, Jian; Chen, Yang-Qiu; Zhang, Hong-Jian; Bao, Jia-Wei; Tang, Lei; Wang, Ke; Zhang, Jian-Hua; Chen, Xu-Sheng; Mao, Zhong-Gui

2015-01-01

To solve the problem of extraction wastewater in citric acid industrial production, an improved integrated citric acid-methane production process was established in this study. Extraction wastewater was treated by anaerobic digestion and then the anaerobic digestion effluent (ADE) was stripped by air to remove ammonia. Followed by solid-liquid separation to remove metal ion precipitation, the supernatant was recycled for the next batch of citric acid fermentation, thus eliminating wastewater discharge and reducing water consumption. 130U/g glucoamylase was added to medium after inoculation and the recycling process performed for 10 batches. Fermentation time decreased by 20% in recycling and the average citric acid production (2nd-10th) was 145.9±3.4g/L, only 2.5% lower than that with tap water (149.6g/L). The average methane production was 292.3±25.1mL/g CODremoved and stable in operation. Excessive Na(+) concentration in ADE was confirmed to be the major challenge for the proposed process. Copyright © 2014 Elsevier Ltd. All rights reserved.

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.

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.

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.

Ultrafast cavitation induced by an X-ray laser in water drops

NASA Astrophysics Data System (ADS)

Stan, Claudiu; Willmott, Philip; Stone, Howard; Koglin, Jason; Liang, Mengning; Aquila, Andrew; Robinson, Joseph; Gumerlock, Karl; Blaj, Gabriel; Sierra, Raymond; Boutet, Sebastien; Guillet, Serge; Curtis, Robin; Vetter, Sharon; Loos, Henrik; Turner, James; Decker, Franz-Josef

2016-11-01

Cavitation in pure water is determined by an intrinsic heterogeneous cavitation mechanism, which prevents in general the experimental generation of large tensions (negative pressures) in bulk liquid water. We developed an ultrafast decompression technique, based on the reflection of shock waves generated by an X-ray laser inside liquid drops, to stretch liquids to large negative pressures in a few nanoseconds. Using this method, we observed cavitation in liquid water at pressures below -100 MPa. These large tensions exceed significantly those achieved previously, mainly due to the ultrafast decompression. The decompression induced by shock waves generated by an X-ray laser is rapid enough to continue to stretch the liquid phase after the heterogeneous cavitation occurs in water, despite the rapid growth of cavitation nanobubbles. We developed a nucleation-and-growth hydrodynamic cavitation model that explains our results and estimates the concentration of heterogeneous cavitation nuclei in water.

Method of fabrication of supported liquid membranes

DOEpatents

Luebke, David R.; Hong, Lei; Myers, Christina R.

2015-11-17

Method for the fabrication of a supported liquid membrane having a dense layer in contact with a porous layer, and a membrane liquid layer within the interconnected pores of the porous layer. The dense layer is comprised of a solidified material having an average pore size less than or equal to about 0.1 nanometer, while the porous layer is comprised of a plurality of interconnected pores and has an average pore size greater than 10 nanometers. The supported liquid membrane is fabricated through the preparation of a casting solution of a membrane liquid and a volatile solvent. A pressure difference is established across the dense layer and porous layer, the casting solution is applied to the porous layer, and the low viscosity casting solution is drawn toward the dense layer. The volatile solvent is evaporated and the membrane liquid precipitates, generating a membrane liquid layer in close proximity to the dense layer.

Impact-Induced Climate Change on Titan

NASA Technical Reports Server (NTRS)

Zahnle, Kevin; Korycansky, Donald

2012-01-01

Titan's thick atmosphere and volatile surface cause it to respond to big impacts like the one that produced the prominent Menrva impact basin in a somewhat Earth-like manner. Menrva was big enough to raise the surface temperature by 100 K. If methane in the regolith is generally as abundant as it was at the Huygens landing site, Menrva would have been big enough to double the amount of methane in the atmosphere. The extra methane would have drizzled out of the atmosphere over hundreds of years. Conditions may have been favorable for clathrating volatiles such as ethane. Impacts can also create local crater lakes set in warm ice but these quickly sink below the warm ice; whether the cryptic waters quickly freeze by mixing with the ice crust or whether they long endure under the ice remains a open question. Bigger impacts can create shallow liquid water oceans at the surface. If Titan's crust is made of water ice, the putative Hotei impact (a possible 800-1200 km diameter basin, Soderblom et al 2009) would have raised the average surface temperature to 350-400 K. Water rain would have fallen and global meltwaters would have averaged 50 m to as much as 500 m deep. The meltwaters may not have lasted more than a few decades or centuries at most, but are interesting to consider given Titan's organic wealth.

Investigating the Mpemba Effect: When Hot Water Freezes Faster than Cold Water

ERIC Educational Resources Information Center

Ibekwe, R. T.; Cullerne, J. P.

2016-01-01

Under certain conditions a body of hot liquid may cool faster and freeze before a body of colder liquid, a phenomenon known as the Mpemba Effect. An initial difference in temperature of 3.2 °C enabled warmer water to reach 0 °C in 14% less time than colder water. Convection currents in the liquid generate a temperature gradient that causes more…

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.

Temperature and moisture conditions for life in the extreme arid region of the Atacama desert: four years of observations including the El Nino of 1997-1998

NASA Technical Reports Server (NTRS)

McKay, Christopher P.; Friedmann, E. Imre; Gomez-Silva, Benito; Caceres-Villanueva, Luis; Andersen, Dale T.; Landheim, Ragnhild

2003-01-01

The Atacama along the Pacific Coast of Chile and Peru is one of the driest and possibly oldest deserts in the world. It represents an extreme habitat for life on Earth and is an analog for life in dry conditions on Mars. We report on four years (September 1994-October 1998) of climate and moisture data from the extreme arid region of the Atacama. Our data are focused on understanding moisture sources and their role in creating suitable environments for photosynthetic microorganisms in the desert surface. The average air temperature was 16.5 degrees C and 16.6 degrees C in 1995 and 1996, respectively. The maximum air temperature recorded was 37.9 degrees C, and the minimum was -5.7 degrees C. Annual average sunlight was 336 and 335 W m(-2) in 1995 and 1996, respectively. Winds averaged a few meters per second, with strong fohn winds coming from the west exceeding 12 m s(-1). During our 4 years of observation there was only one significant rain event of 2.3 mm, which occurred near midnight local time. We suggest that this event was a rainout of a heavy fog. It is of interest that the strong El Nino of 1997-1998 brought heavy rainfall to the deserts of Peru, but did not bring significant rain to the central Atacama in Chile. Dew occurred at our station frequently following high nighttime relative humidity, but is not a significant source of moisture in the soil or under stones. Groundwater also does not contribute to surface moisture. Only the one rain event of 2.3 mm resulted in liquid water in the soil and beneath stones for a total of only 65-85 h over 4 years. The paucity of liquid water under stones is consistent with the apparent absence of hypolithic (under-stone) cyanobacteria, the only known primary producers in such extreme deserts.

Vertical structure of boundary layer convection during cold-air outbreaks at Barrow, Alaska

NASA Astrophysics Data System (ADS)

Wang, Yonggang; Geerts, Bart; Chen, Yaosheng

2016-01-01

Boundary layer convection (BLC) is common over high-latitude oceans and adjacent coastal regions when a cold airmass becomes exposed to a sufficient fetch of open water. The vertical structure of mixed-phase BLC clouds and precipitation is examined using the Atmospheric Radiation Measurement Program data set collected at the North Slope of Alaska (NSA) site at Barrow, Alaska. BLC may occur at this location in autumn, when cold air masses originating at higher latitudes advect southward over the still ice-free coastal waters north of Alaska. This study identifies such BLC and documents its occurrence and characteristics. Instruments used for this study include profiling Ka band radars, a depolarization backscatter profiling lidar, a scanning X band radar, a microwave radiometer, a ceilometer, surface meteorological probes, and radiosondes. Six criteria are applied to objectively identify the BLC events, using data collected between 2004 and 2013. BLC episodes are relatively common at the NSA site, but almost exclusively in the month of October, and most episodes are relatively short, less than 10 h in duration. Liquid water is commonly found in these mixed-phase BLC clouds, with a typical liquid water path of 150 g/m2, and snowfall rates average ~3 mm h-1 (water equivalent), in some cases over 10 mm h-1, notwithstanding the low cloud echo tops (~1.0-1.5 km). In one rather weak but persistent episode fall speed estimates derived from the profiling Ka band radar indicates the presence of rimed particles, confirming the convective nature of this precipitation.

Optical and structural properties of colloidal zirconia nanoparticles prepared by arc discharge in liquid

NASA Astrophysics Data System (ADS)

Peymani forooshani, Reza; Poursalehi, Reza; Yourdkhani, Amin

2018-01-01

Zirconia is one of the important ceramic materials with unique properties such as high melting point, high ionic conductivity, high mechanical properties and low thermal conductivity. Therefore, zirconia is one of the useful materials in refractories, thermal barriers, cutting tools, oxygen sensors electrolytes, catalysis, catalyst supports and solid oxide fuel cells. Recently, direct current (DC) arc discharge is extensively employed to synthesis of metal oxide nanostructures in liquid environments. The aim of this work is the synthesis of colloidal zirconia nanoparticles by DC arc discharge method in water as a medium. Arc discharge was ignited between two pure zirconium electrodes in water. Optical and structural properties of prepared colloidal nanoparticles were investigated. Scanning Electron Microscopy (SEM), X-Ray Diffraction (XRD) and UV-visible spectroscopy, were employed for characterization of particle size, morphology, crystal structure and optical properties, respectively. SEM images demonstrate that the nanoparticles are spherical in shape with an average size lower than 38 nm. The XRD patterns of the nanoparticles were consistent with tetragonal and monoclinic zirconia crystal structures. The optical transmission spectra of the colloidal solution show optical characteristic of zirconia nanoparticles as a wide band gap semiconductor with no absorption peak in visible wavelength with the considerable amount of oxygen deficiency. Oxidation of colloidal nanoparticles in water could be explained via reaction with either dissociated oxygen from water in hot plasma region or with dissolved oxygen in water. The results provide a simple and flexible method for preparation of zirconia nanoparticles with a capability of mass production without environmental footprints.

Global climate impacts of stochastic deep convection parameterization in the NCAR CAM5

DOE PAGES

Wang, Yong; Zhang, Guang J.

2016-09-29

In this paper, the stochastic deep convection parameterization of Plant and Craig (PC) is implemented in the Community Atmospheric Model version 5 (CAM5) to incorporate the stochastic processes of convection into the Zhang-McFarlane (ZM) deterministic deep convective scheme. Its impacts on deep convection, shallow convection, large-scale precipitation and associated dynamic and thermodynamic fields are investigated. Results show that with the introduction of the PC stochastic parameterization, deep convection is decreased while shallow convection is enhanced. The decrease in deep convection is mainly caused by the stochastic process and the spatial averaging of input quantities for the PC scheme. More detrainedmore » liquid water associated with more shallow convection leads to significant increase in liquid water and ice water paths, which increases large-scale precipitation in tropical regions. Specific humidity, relative humidity, zonal wind in the tropics, and precipitable water are all improved. The simulation of shortwave cloud forcing (SWCF) is also improved. The PC stochastic parameterization decreases the global mean SWCF from -52.25 W/m 2 in the standard CAM5 to -48.86 W/m 2, close to -47.16 W/m 2 in observations. The improvement in SWCF over the tropics is due to decreased low cloud fraction simulated by the stochastic scheme. Sensitivity tests of tuning parameters are also performed to investigate the sensitivity of simulated climatology to uncertain parameters in the stochastic deep convection scheme.« less

Global climate impacts of stochastic deep convection parameterization in the NCAR CAM5

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

Wang, Yong; Zhang, Guang J.

In this paper, the stochastic deep convection parameterization of Plant and Craig (PC) is implemented in the Community Atmospheric Model version 5 (CAM5) to incorporate the stochastic processes of convection into the Zhang-McFarlane (ZM) deterministic deep convective scheme. Its impacts on deep convection, shallow convection, large-scale precipitation and associated dynamic and thermodynamic fields are investigated. Results show that with the introduction of the PC stochastic parameterization, deep convection is decreased while shallow convection is enhanced. The decrease in deep convection is mainly caused by the stochastic process and the spatial averaging of input quantities for the PC scheme. More detrainedmore » liquid water associated with more shallow convection leads to significant increase in liquid water and ice water paths, which increases large-scale precipitation in tropical regions. Specific humidity, relative humidity, zonal wind in the tropics, and precipitable water are all improved. The simulation of shortwave cloud forcing (SWCF) is also improved. The PC stochastic parameterization decreases the global mean SWCF from -52.25 W/m 2 in the standard CAM5 to -48.86 W/m 2, close to -47.16 W/m 2 in observations. The improvement in SWCF over the tropics is due to decreased low cloud fraction simulated by the stochastic scheme. Sensitivity tests of tuning parameters are also performed to investigate the sensitivity of simulated climatology to uncertain parameters in the stochastic deep convection scheme.« less

Comparison and Correlation of Subsurface Media Properties Reflected in Both Extracted Soil Pore Water From Sectioned Cores and Homogenized Groundwater From Monitoring Wells

NASA Astrophysics Data System (ADS)

Moon, J. W.; Paradis, C. J.; von Netzer, F.; Dixon, E.; Majumder, E.; Joyner, D.; Zane, G.; Fitzgerald, K.; Xiaoxuan, G.; Thorgersen, M. P.; Lui, L.; Adams, B.; Brewer, S. S.; Williams, D.; Lowe, K. A.; Rodriguez, M., Jr.; Mehlhorn, T. L.; Pfiffner, S. M.; Chakraborty, R.; Arkin, A. P.; Terry, A. Y.; Wall, J. D.; Stahl, D. A.; Elias, D. A.; Hazen, T. C.

2017-12-01

Conventional monitoring wells have produced useful long-term data about the contaminants, carbon flux, microbial population and their evolution. The averaged homogenized groundwater matrix from these wells is insufficient to represent all media properties in subsurface. This pilot study investigated the solid, liquid and gas phases from soil core samples from both uncontaminated and contaminated areas of the ENIGMA field research site at Oak Ridge, Tennessee. We focused on a site-specific assessment with depth perspective that included soil structure, soil minerals, major and trace elements and biomass for the solid phase; centrifuged soil pore water including cations, anions, organic acid, pH and conductivity for the liquid phase; and gas (CO2, CH4, N2O) evolution over a 4 week incubation with soil and unfiltered groundwater. Pore water from soil core sections showed a correlation between contamination levels with depth and the potential abundance of sulfate- and nitrate-reducing bacteria based on the 2-order of magnitude decreased concentration. A merged interpretation with mineralogical consideration revealed a more complicated correlation among contaminants, soil texture, clay minerals, groundwater levels, and biomass. This sampling campaign emphasized that subsurface microbial activity and metabolic reactions can be influenced by a variety of factors but can be understood by considering the influence of multiple geochemical factors from all subsurface phases including water, air, and solid along depth rather than homogenized groundwater.

Evapotranspiration Partitioning Using Rapid Measurements of Isotopic Composition of Water Vapor in a Semi Arid Evergreen Forest

NASA Astrophysics Data System (ADS)

Meuth, J. A.; Dominguez, F.

2011-12-01

Evapotranspiration partitioning into transpiration and evaporation is an important step in understanding the relative contribution of the vegetated land surface to total atmospheric moisture in an area. This type of study has rarely been done over long time periods focusing on small time scales of variation. The relative contributions of whole canopy transpiration and soil evaporation to total evapotranspiration were determined in a mid-latitude semi arid evergreen forest using stable isotope measurements of atmospheric water vapor. We used a cavity ringdown spectrometer to collect continuous 5-second average isotopic and water vapor measurements throughout the ecosystem boundary layer. In addition, we analyzed the isotopic composition of liquid water extracted from soil, leaf and stem samples to obtain relative contributions of transpiration and evaporation to whole canopy evapotranspriation. The results from this method provided many time periods throughout the day with statistically significant data. This method can be used to follow daily, monthly, or yearly cycles of evapotranspiration partitioning with relative ease and accuracy.

Liquid chromatographic-diode-array detection multiresidue determination of rice herbicides in drinking and paddy-field water.

PubMed

Roehrs, Rafael; Zanella, Renato; Pizzuti, Ionara; Adaime, Martha B; Pareja, Lucía; Niell, Silvina; Cesio, María V; Heinzen, Horacio

2009-01-01

A sensitive, rapid, and simple multiresidue method for the simultaneous determination of six postemergence herbicides currently used in rice cultivation--metsulfuron methyl, bensulfuron methyl, pyrazosulfuron ethyl, bentazone, bispyribac sodium, and cyhalofop butyl--in drinking and paddy-field water is presented. Water samples were extracted with solid-phase extraction cartridges. Final determination was made by LC with diode-array detection. The extraction efficiencies of C18 and HLB cartridges were compared. The average recovery obtained for these compounds for the lowest spiked level (0.1 microg/L) varied from 70 to 122% for C18 and 75-119% for HLB, with RSDs of 11 and 8.3%, respectively. The method had good linearity, and the lower detection limit for the pesticides studied varied from 0.03 to 0.04 microg/L. The proposed method was also tested in paddy-field water, with recovery studies giving good results with low RSDs at 1.0 microg/L.

A low diffusive Lagrange-remap scheme for the simulation of violent air-water free-surface flows

NASA Astrophysics Data System (ADS)

Bernard-Champmartin, Aude; De Vuyst, Florian

2014-10-01

In 2002, Després and Lagoutière [17] proposed a low-diffusive advection scheme for pure transport equation problems, which is particularly accurate for step-shaped solutions, and thus suited for interface tracking procedure by a color function. This has been extended by Kokh and Lagoutière [28] in the context of compressible multifluid flows using a five-equation model. In this paper, we explore a simplified variant approach for gas-liquid three-equation models. The Eulerian numerical scheme has two ingredients: a robust remapped Lagrange solver for the solution of the volume-averaged equations, and a low diffusive compressive scheme for the advection of the gas mass fraction. Numerical experiments show the performance of the computational approach on various flow reference problems: dam break, sloshing of a tank filled with water, water-water impact and finally a case of Rayleigh-Taylor instability. One of the advantages of the present interface capturing solver is its natural implementation on parallel processors or computers.

Water ball collision

NASA Technical Reports Server (NTRS)

Fujimoto, K.

1986-01-01

What happens if a stainless steel ball hits a water ball in the weightless space ot the Universe? In other words, it was the objective of our experiments in the Space to observe the surface tension of liquid by means of making a solid collide with a liquid. Place a small volume of water between 2 glass sheets to make a thin water membrane: the 2 glass sheets cannot be separated unless an enormous force is applied. It is obvious from this phenomenom that the surface tension of water is far greater than presumed. On Earth, however, it is impossible in most cases to observe only the surface tension of liquid, because gravity always acts on the surface tension. Water and stainless steel balls were chosen the liquid and solids for the experiments. Because water is the liquid most familiar to us, its properties are well known. And it is also of great interest to compare its properties on the Earth with those in the weightless space.

A rapid liquid chromatography determination of free formaldehyde in cod.

PubMed

Storey, Joseph M; Andersen, Wendy C; Heise, Andrea; Turnipseed, Sherri B; Lohne, Jack; Thomas, Terri; Madson, Mark

2015-01-01

A rapid method for the determination of free formaldehyde in cod is described. It uses a simple water extraction of formaldehyde which is then derivatised with 2,4-dinitrophenylhydrazine (DNPH) to form a sensitive and specific chromophore for high-performance liquid chromatography (HPLC) detection. Although this formaldehyde derivative has been widely used in past tissue analysis, this paper describes an improved derivatisation procedure. The formation of the DNPH formaldehyde derivative has been shortened to 2 min and a stabilising buffer has been added to the derivative to increase its stability. The average recovery of free formaldehyde in spiked cod was 63% with an RSD of 15% over the range of 25-200 mg kg(-1) (n = 48). The HPLC procedure described here was also compared to a commercial qualitative procedure - a swab test for the determination of free formaldehyde in fish. Several positive samples were compared by both methods.

Estimating the Gibbs energy of hydration from molecular dynamics trajectories obtained by integral equations of the theory of liquids in the RISM approximation

NASA Astrophysics Data System (ADS)

Tikhonov, D. A.; Sobolev, E. V.

2011-04-01

A method of integral equations of the theory of liquids in the reference interaction site model (RISM) approximation is used to estimate the Gibbs energy averaged over equilibrium trajectories computed by molecular mechanics. Peptide oxytocin is selected as the object of interest. The Gibbs energy is calculated using all chemical potential formulas introduced in the RISM approach for the excess chemical potential of solvation and is compared with estimates by the generalized Born model. Some formulas are shown to give the wrong sign of Gibbs energy changes when peptide passes from the gas phase into water environment; the other formulas give overestimated Gibbs energy changes with the right sign. Note that allowance for the repulsive correction in the approximate analytical expressions for the Gibbs energy derived by thermodynamic perturbation theory is not a remedy.

Influence of Sodium Chloride on the Formation and Dissociation Behavior of CO2 Gas Hydrates

PubMed Central

2017-01-01

We present an experimental study on the formation and dissociation characteristics of carbon dioxide (CO2) gas hydrates using Raman spectroscopy. The CO2 hydrates were formed from sodium chloride/water solutions with salinities of 0–10 wt %, which were pressurized with liquid CO2 in a stirred vessel at 6 MPa and a subcooling of 9.5 K. The formation of the CO2 hydrate resulted in a hydrate gel where the solid hydrate can be considered as the continuous phase that includes small amounts of a dispersed liquid water-rich phase that has not been converted to hydrate. During the hydrate formation process we quantified the fraction of solid hydrate, xH, and the fraction of the dispersed liquid water-rich phase, xL, from the signature of the hydroxyl (OH)-stretching vibration of the hydrate gel. We found that the fraction of hydrate xH contained in the hydrate gel linearly depends on the salinity of the initial liquid water-rich phase. In addition, the ratio of CO2 and water was analyzed in the liquid water-rich phase before hydrate formation, in the hydrate gel during growth and dissociation, and after its complete dissociation again in the liquid water-rich phase. We observed a supersaturation of CO2 in the water-rich phase after complete dissociation of the hydrate gel and were able to show that the excess CO2 exists as dispersed micro- or nanoscale liquid droplets in the liquid water-rich phase. These residual nano- and microdroplets could be a possible explanation for the so-called memory effect. PMID:28817275

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.

[Simultaneous determination of four compounds in Sanjing Shuanghuanglian Oral Liquid by high performance liquid chromatography-diode array detection-electrochemical detection].

PubMed

Liu, Lin; Suo, Zhirong; Zheng, Jianbin

2006-05-01

Chlorogenic acid, caffeic acid, baicalin and luteolin in Sanjing Shuanghuanglian Oral Liquid were simultaneously detected and identified using a high performance liquid chromatography coupled with diode array detection and electrochemical detection (HPLC-DAD-ECD). The separation was performed on a Zorbax SB-C18 column (150 mm x 4.6 mm i. d., 5.0 microm). The mobile phase consisted of (A) methanol and (B) methanol-water-acetic acid (50: 50: 1, v/v/v) using a linear gradient elution of 2%A-3%A at 0-3 min, 3%A-25%A at 3-15 min, 25%A-80%A at 15-20 min. The flow rate was 0.8 mL/min. The DAD detection was used at 275 nm. The ECD detection was done at 0.7 V. The column thermostat set at 30 degrees C. The limits of detection of the 4 compounds were 1 mg/L for chlorogenic acid, 0.2 mg/L for caffeic acid, 9 mg/L for baicalin, 7 mg/L for luteolin. The average recoveries were between 96.6%-99.6% with relative standard deviations (RSDs) of 2.5%-4.1%. The method is simple, rapid, reproducible and accurate. It can be used for the routine analysis of the four compounds in Shuanghuanglian Oral Liquid.

Microphysical Characteristics of Clouds During the TRMM Field Campaign

NASA Technical Reports Server (NTRS)

Stith, Jeffrey L.

2003-01-01

Further analysis of the TRMM field campaign data was conducted to examine the growth of precipitation in updraft regions of the TRMM field campaign tropical clouds and to extend the earlier results to cover the whole TRMM data set collected by the University of North Dakota (UND). The results have been submitted for publication. In this paper, composite vertical profiles of liquid water, small particle concentration, and updraft/downdraft magnitudes were presented from each of the campaigns. They exhibited similar peak values for the two TRMM regions of LBA and Kwajalein. Updrafts were found to be favored locations for precipitation embryos in the form of liquid or frozen drizzle-sized droplets. Although liquid water concentrations decreased to undetectable levels between -5 and -18 C in most glaciating updrafts, occasional traces of liquid water were found in updrafts at colder temperatures, probably due to the persistence of liquid drizzle droplets. The updraft magnitudes where the traces of liquid water were observed at cold temperatures do not appear to be stronger than updrafts without liquid water at similar temperatures, however.

29 CFR 1910.123 - Dipping and coating operations: Coverage and definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... tank containing a liquid other than water. It applies when you use the liquid in the tank or its vapor... combustion, independent of any other source of heat. Combustible liquid means a liquid having a flash point of 100 °F (37.8 °C) or above. Dip tank means a container holding a liquid other than water and that...

29 CFR 1910.123 - Dipping and coating operations: Coverage and definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... tank containing a liquid other than water. It applies when you use the liquid in the tank or its vapor... combustion, independent of any other source of heat. Combustible liquid means a liquid having a flash point of 100 °F (37.8 °C) or above. Dip tank means a container holding a liquid other than water and that...

78 FR 6149 - Final Interim Staff Guidance Assessing the Radiological Consequences of Accidental Releases of...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-29

... Accidental Releases of Radioactive Materials From Liquid Waste Tanks in Ground and Surface Waters for... Radioactive Materials from Liquid Waste Tanks in Ground and Surface Waters for Combined License Applications... Radioactive Materials from Liquid Waste Tanks in Ground and Surface Waters for Combined License Applications...

A statistical test for the habitable zone concept

NASA Astrophysics Data System (ADS)

Checlair, J.; Abbot, D. S.

2017-12-01

Traditional habitable zone theory assumes that the silicate-weathering feedback regulates the atmospheric CO2 of planets within the habitable zone to maintain surface temperatures that allow for liquid water. There is some non-definitive evidence that this feedback has worked in Earth history, but it is untested in an exoplanet context. A critical prediction of the silicate-weathering feedback is that, on average, within the habitable zone planets that receive a higher stellar flux should have a lower CO2 in order to maintain liquid water at their surface. We can test this prediction directly by using a statistical approach involving low-precision CO2 measurements on many planets with future instruments such as JWST, LUVOIR, or HabEx. The purpose of this work is to carefully outline the requirements for such a test. First, we use a radiative-transfer model to compute the amount of CO2 necessary to maintain surface liquid water on planets for different values of insolation and planetary parameters. We run a large ensemble of Earth-like planets with different masses, atmospheric masses, inert atmospheric composition, cloud composition and level, and other greenhouse gases. Second, we post-process this data to determine the precision with which future instruments such as JWST, LUVOIR, and HabEx could measure the CO2. We then combine the variation due to planetary parameters and observational error to determine the number of planet measurements that would be needed to effectively marginalize over uncertainties and resolve the predicted trend in CO2 vs. stellar flux. The results of this work may influence the usage of JWST and will enhance mission planning for LUVOIR and HabEx.

Liquid CO 2/Coal Slurry for Feeding Low Rank Coal to Gasifiers

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

Marasigan, Jose; Goldstein, Harvey; Dooher, John

2013-09-30

This study investigates the practicality of using a liquid CO 2/coal slurry preparation and feed system for the E-Gas™ gasifier in an integrated gasification combined cycle (IGCC) electric power generation plant configuration. Liquid CO 2 has several property differences from water that make it attractive for the coal slurries used in coal gasification-based power plants. First, the viscosity of liquid CO 2 is much lower than water. This means it should take less energy to pump liquid CO 2 through a pipe compared to water. This also means that a higher solids concentration can be fed to the gasifier, whichmore » should decrease the heat requirement needed to vaporize the slurry. Second, the heat of vaporization of liquid CO 2 is about 80% lower than water. This means that less heat from the gasification reactions is needed to vaporize the slurry. This should result in less oxygen needed to achieve a given gasifier temperature. And third, the surface tension of liquid CO 2 is about 2 orders of magnitude lower than water, which should result in finer atomization of the liquid CO 2 slurry, faster reaction times between the oxygen and coal particles, and better carbon conversion at the same gasifier temperature. EPRI and others have recognized the potential that liquid CO 2 has in improving the performance of an IGCC plant and have previously conducted systemslevel analyses to evaluate this concept. These past studies have shown that a significant increase in IGCC performance can be achieved with liquid CO 2 over water with certain gasifiers. Although these previous analyses had produced some positive results, they were still based on various assumptions for liquid CO 2/coal slurry properties.« less

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.

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.

A Flemion-based actuator with ionic liquid as solvent

NASA Astrophysics Data System (ADS)

Wang, Jin; Xu, Chunye; Taya, Minoru; Kuga, Yasuo

2007-04-01

A perfluorinated carboxylic acid membrane, i.e. Flemion, shows improved performance as actuator material compared with Nafion (perfluorinated sulfonic acid). Flemion has a higher ion exchange capacity and good mechanical strength. In particular, Flemion will deform with no back relaxation under applied electrical stimulus. However, with water as solvent, the operation of Flemion in air has serious problems, since water would evaporate quickly in air. Moreover, the electrochemical stability for use in water is around 1 V at room temperature. In previous work, investigations on Nafion with ionic liquid as solvents have been carried out by some researchers and good results have been obtained. In this work, we explore the use of highly stable ionic liquid instead of water as solvent in Flemion. Experimental results indicate that Flemion-based actuators with ionic liquid as solvent have improved stability as compared to the water samples. Although the forces exhibited by Flemion-based actuators with the use of ionic liquid decreased dramatically compared to water, these preliminary results suggest good potential for the use of Flemion with ionic liquid in future applications.

Flemion-based actuator with ionic liquid as solvent

NASA Astrophysics Data System (ADS)

Wang, Jin; Xu, Chunye; Taya, Minoru; Kuga, Yasuo

2006-03-01

A perfluorinated carboxylic acid membrane, i.e. Flemion, shows improved performance as actuator material compared with Nafion (perfluorinated sulfonic acide). Flemion has a higher ion exchange capacity and good mechanical strength. Especially, Flemion will deform with no back relaxation when applied electrical stimulus. However, with water as solvent, the operation of Flemion in air has serious problems. Since water would evaporate quickly in air. Moreover, the electrochemical stability for use in water is around 1V at room temperature. In previous work, investigations on Nafion with ionic liquid as solvents have been carried out and good results have been obtained. In this work, we explore the use of highly stable ionic liquid instead of water as solvent in Flemion. Experimental results indicate that Flemion based actuators with ionic liquid as solvent have improved stability as compared to the water samples. Although the forces exhibited by Flemion based actuators with the use of ionic liquid decreased dramatically as compared to water, these preliminary results suggest a good potential for use of Flemion with ionic liquid in some applications.

Growth and development in inert non-aqueous liquids. [of higher plants

NASA Technical Reports Server (NTRS)

Siegel, S. M.

1974-01-01

A preview is presented of the survival and growth capabilities of higher plants in non-aqueous, inert liquids. The two media which were used are mineral (white) oil and fluorochemical inert liquid FC-75. Both liquids dissolve oxygen and carbon dioxide readily, but are insoluble in water. Consequently, plants submerged in these liquids are capable of gas exchange with the atmosphere, but possess a water impermeable coating the dimensions of which are determined by the size of the liquid holding container. In a sense, growing plants in a tank of mineral oil imparts on them a cuticle. Plants plus prescribed volumes of water were innoculated into mineral oil. Organisms with minimal water supplied could then be observed. Also, submersed plants covered with an oil slick were shown to be capable of growth in dessicating atmospheres.

A Thermal Analysis of a Hot-Wire Probe for Icing Applications

NASA Technical Reports Server (NTRS)

Struk, Peter M.; Rigby, David L.; Venkataraman, Krishna

2014-01-01

This paper presents a steady-state thermal model of a hot-wire instrument applicable to atmospheric measurement of water content in clouds. In this application, the power required to maintain the wire at a given temperature is used to deduce the water content of the cloud. The model considers electrical resistive heating, axial conduction, convection to the flow, radiation to the surroundings, as well as energy loss due to the heating, melting, and evaporation of impinging liquid and or ice. All of these parameters can be varied axially along the wire. The model further introduces a parameter called the evaporation potential which locally gauges the maximum fraction of incoming water that evaporates. The primary outputs of the model are the steady-state power required to maintain a spatially-average constant temperature as well as the variation of that temperature and other parameters along the wire. The model is used to understand the sensitivity of the hot-wire performance to various flow and boundary conditions including a detailed comparison of dry air and wet (i.e. cloud-on) conditions. The steady-state power values are compared to experimental results from a Science Engineering Associates (SEA) Multi-Element probe, a commonly used water-content measurement instrument. The model results show good agreement with experiment for both dry and cloud-on conditions with liquid water content. For ice, the experimental measurements under read the actual water content due to incomplete evaporation and splashing. Model results, which account for incomplete evaporation, are still higher than experimental results where the discrepancy is attributed to splashing mass-loss which is not accounted in the model.

Multi-class method for determination of veterinary drug residues and other contaminants in infant formula by ultra performance liquid chromatography-tandem mass spectrometry.

PubMed

Zhan, Jia; Zhong, Ying-ying; Yu, Xue-jun; Peng, Jin-feng; Chen, Shubing; Yin, Ju-yi; Zhang, Jia-Jie; Zhu, Yan

2013-06-01

A rapid, simple and generic analytical method which was able to simultaneously determine 220 undesirable chemical residues in infant formula had been developed. The method comprised of extraction with acetonitrile, clean-up by low temperature and water precipitation, and analysis by ultra performance liquid chromatography coupled with electrospray ionization tandem mass spectrometry (UPLC-ESI-MS-MS) using multiple reaction monitoring (MRM) mode. Most fat materials in acetonitrile extract were eliminated by low temperature clean-up. The water precipitation, providing a necessary and supplementary cleanup, could avoid losses of hydrophobic analytes (avermectins, ionophores). Average recoveries for spiked infant formula were in the range from 57% to 147% with associated RSD values between 1% and 28%. For over 80% of the analytes, the recoveries were between 70% and 120% with RSD values in the range of 1-15%. The limits of quantification (LOQs) were from 0.01 to 5 μg/kg, which were usually sufficient to verify the compliance of products with legal tolerances. Application of this method in routine monitoring programs would imply a drastic reduction of both effort and time. Copyright © 2012 Elsevier Ltd. All rights reserved.

The smog-fog-smog cycle and acid deposition

NASA Astrophysics Data System (ADS)

Pandis, Spyros N.; Seinfeld, John H.; Pilinis, Christodoulos

1990-10-01

A model including descriptions of aerosol and droplet microphysics, gas and aqueous-phase chemistry, and deposition is used to study the transformation of aerosol to fog droplets and back to aerosol in an urban environment. Fogs in polluted environments have the potential to increase aerosol sulfate concentrations but at the same time to cause reductions in the aerosol concentration of nitrate, chloride, ammonium and sodium and well as in the total aerosol mass concentration. The sulfate produced during fog episodes favors the aerosol particles that have access to most of the fog liquid water which are usually the large particles. Aerosol scavenging efficiencies of around 80 percent are calculated for urban fogs. Sampling and subsequent mixing of fog droplets of different sizes may result in measured concentrations that are not fully representative of the fogwater chemical composition and can introduce errors in the reported values of the ionic species deposition velocities. Differences in the major ionic species deposition velocities can be explained by their distribution over the droplet size spectrum and can be correlated with the species average diameter. Two different expressions are derived for use in fog models for the calculation of the liquid water deposition velocity during fog growth and dissipation stages.

Electron scattering in large water clusters from photoelectron imaging with high harmonic radiation.

PubMed

Gartmann, Thomas E; Hartweg, Sebastian; Ban, Loren; Chasovskikh, Egor; Yoder, Bruce L; Signorell, Ruth

2018-06-06

Low-energy electron scattering in water clusters (H2O)n with average cluster sizes of n < 700 is investigated by angle-resolved photoelectron spectroscopy using high harmonic radiation at photon energies of 14.0, 20.3, and 26.5 eV for ionization from the three outermost valence orbitals. The measurements probe the evolution of the photoelectron anisotropy parameter β as a function of cluster size. A remarkably steep decrease of β with increasing cluster size is observed, which for the largest clusters reaches liquid bulk values. Detailed electron scattering calculations reveal that neither gas nor condensed phase scattering can explain the cluster data. Qualitative agreement between experiment and simulations is obtained with scattering calculations that treat cluster scattering as an intermediate case between gas and condensed phase scattering.

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

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.

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

Cultivation of macroscopic marine algae and freshwater aquatic weeds. Progress report, May 1-December 31, 1978

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

Ryther, J. H.

1979-01-01

Studies were continued during 1977 to 1978 on the growth and yields in culture of the red seaweed Gracilaria tikvahiae. Partial control of epiphytes was achieved by nutrient removal, shading, and/or biological agents. For the first time, a single clone of the alga was grown continuously throughout the year without replacement. Yields in large (2600 1) aluminum tanks averaged 21.4 g dry weight/m/sup 2/.day, equivalent to 31 tons/acre.year (15.5 ash-free dry wt tons/acre.year). Growth of Gracilaria and other seaweeds in Vexar-mesh baskets in natural habitats and in the oceanic waters of a power plant cooling water intake canal were unsuccessful.more » Productivity of the freshwater macrophytes Lemna minor (common duckweed), Eichhornia crassipes (water hyacinth), and Hydrilla verticillata have now been measured throughout the year with mean yields of 3.7, 24.2 and 4.2 g dry weight/m/sup 2/.day (5.4, 35.3, and 6.1 dry tons/acre.year) respectively. Yields of duckweed and water hyacinths in the Harbor Branch Foundation culture units have averaged roughly three times those of the same species growing in highly-eutrophic natural environments. The yields of several other species of freshwater plants were investigated. Only the pennywort (Hydrocotyle umbellata) appears to approach the productivity of water hyacinth on the basis of preliminary measurements. Chopped water hyacinths and unprocessed Gracilaria have both been successfully fermented to methane in anaerobic digesters and the liquid digester residues recycled to produce more of the same plants.« less

Ring Resonator for Detection of Melting Brine Under Shallow Subsurface of Mars

NASA Technical Reports Server (NTRS)

Ponchak, George E.; Jordan, Jennifer L.; Scardelletti, Maximillian C.

2016-01-01

Laboratory experimental evidence using Raman spectroscopy has shown that liquid brine may form below the shallow subsurface of Mars. A simpler experimental method to verify the presence of liquid brine or liquid water below Mars surface is needed. In this paper, a ring resonator is used to detect the phase change between frozen water and liquid water below a sandy soil that simulates the Mars surface. Experimental data shows that the ring resonator can detect the melting of thin layers of frozen brine or water up to 15 mm below the surface.

Time-dependent gas-liquid interaction in molecular-sized nanopores.

PubMed

Sun, Yueting; Li, Penghui; Qiao, Yu; Li, Yibing

2014-10-08

Different from a bulk phase, a gas nanophase can have a significant effect on liquid motion. Herein we report a series of experimental results on molecular behaviors of water in a zeolite β of molecular-sized nanopores. If sufficient time is provided, the confined water molecules can be "locked" inside a nanopore; otherwise, gas nanophase provides a driving force for water "outflow". This is due to the difficult molecular site exchanges and the relatively slow gas-liquid diffusion in the nanoenvironment. Depending on the loading rate, the zeolite β/water system may exhibit either liquid-spring or energy-absorber characteristics.

Characterization of a dielectric barrier discharge in contact with liquid and producing a plasma activated water

NASA Astrophysics Data System (ADS)

Neretti, G.; Taglioli, M.; Colonna, G.; Borghi, C. A.

2017-01-01

In this work a low-temperature plasma source for the generation of plasma activated water (PAW) is developed and characterized. The plasma reactor was operated by means of an atmospheric-pressure air dielectric barrier discharge (DBD). The plasma generated is in contact with the water surface and is able to chemically activate the liquid medium. Electrodes were supplied by both sinusoidal and nanosecond-pulsed voltage waveforms. Treatment times were varied from 2 to 12 min to increase the energy dose released to the water by the DBD plasma. The physics of the discharge was studied by means of electrical, spectroscopic and imaging diagnostics. The interaction between the plasma and the liquid was investigated as well. Temperature and composition of the treated water were detected. Images of the discharges showed a filamentary behaviour in the sinusoidal case and a more homogeneous behaviour in the nanosecond-pulsed one. The images and the electrical measurements allowed to evaluate an average electron number density of about 4  ×  1019 and 6  ×  1017 m-3 for the sinusoidal and nanosecond-pulsed discharges respectively. Electron temperatures in the range of 2.1÷2.6 eV were measured by using spectroscopic diagnostics. Rotational temperatures in the range of 318-475 K were estimated by fitting synthetic spectra with the measured ones. Water temperature and pH level did not change significantly after the exposure to the DBD plasma. The production of ozone and hydrogen peroxide within the water was enhanced by increasing the plasma treatment time and the energy dose. Numerical simulations of the nanosecond-pulsed discharge were performed by using a self-consistent coupling of state-to-state kinetics of the air mixture with the Boltzmann equation of free electron kinetics. Temporal evolution of the electron energy distribution function shows departure from the Maxwellian distribution especially during the afterglow phase of the discharge. When limited deviations from Maxwellian distribution were observed, calculated electron temperature is in good agreement with the one measured by means of spectroscopic diagnostics. Computed temporal evolution of the energy delivered to the discharge is comparable with the one obtained from electrical measurements. The electrical discharges supplied by both voltage waveforms produce plasma activated water with negligible thermal effects and pH variations.

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.

Effect of nanostructure on rapid boiling of water on a hot copper plate: a molecular dynamics study

NASA Astrophysics Data System (ADS)

Fu, Ting; Mao, Yijin; Tang, Yong; Zhang, Yuwen; Yuan, Wei

2016-08-01

Molecular dynamic simulations are performed to study the effects of nanostructure on rapid boiling of water that is suddenly heated by a hot copper plate. The results show that the nanostructure has significant effects on energy transfer from solid copper plate to liquid water and phase change process from liquid water to vapor. The liquid water on the solid surface rapidly boil after contacting with an extremely hot copper plate and consequently a cluster of liquid water moves upward during phase change. The temperature of the water film when it separates from solid surface and its final temperature when the system is at equilibrium strongly depend on the size of the nanostructure. These temperatures increase with increasing size of nanostructure. Furthermore, a non-vaporized molecular layer is formed on the surface of the copper plate even continuous heat flux is passing into water domain through the plate.

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).

Why is MP2-Water "Cooler" and "Denser" than DFT-Water?

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

Willow, Soohaeng Y.; Zeng, Xiao Cheng; Xantheas, Sotiris S.

To maintain water in the liquid phase at the correct (1 g/cm3) density during first-principles simulations, density-functional theory (DFT) with a dispersionless generalized-gradient-approximation (GGA) functional requires a much higher temperature and pressure than the ambient conditions. Conversely, ab initio second-order many-body perturbation (MP2) calculations of liquid water performed by Del Ben et al. [J. Chem. Phys. Lett. 4, 3753 (2013); J. Chem. Phys. 143, 054506 (2015)] and by us [Willow et al., Sci. Rep. 5, 14358 (2015)] required a lower temperature and a negative pressure than DFT to keep water liquid. Here, we present a unifying explanation of these trendsmore » derived from classical water simulations using a polarizable force field with different sets of parameters. We show that the calculated temperature and pressure of the liquid phase are strongly correlated with the polarizability of water and the dispersion interaction, respectively. In DFT/GGA, the polarizability and thus the induced dipole moments and the hydrogen-bond strength are all overestimated. This hinders the rotational motion of molecules and requires a higher temperature for water to be liquid. In MP2 and DFT/GGA, the dispersion interaction is stronger and weaker (or lacking), respectively. This explains why liquid water contracts uniformly and becomes too dense in MP2, whereas the opposite is the case for dispersionless DFT/GGA.« less

Novel dispersive micro-solid-phase extraction combined with ultrahigh-performance liquid chromatography-high-resolution mass spectrometry to determine morpholine residues in citrus and apples.

PubMed

Chen, Dawei; Miao, Hong; Zou, Jianhong; Cao, Pei; Ma, Ning; Zhao, Yunfeng; Wu, Yongning

2015-01-21

This paper presents a new analytical method for the determination of morpholine residues in citrus and apples using a novel dispersive micro-solid-phase extraction (DMSPE), followed by ultrahigh-performance liquid chromatography-high-resolution mass spectrometry (UHPLC-HRMS). Samples were extracted with 1% formic acid in acetonitrile/water (1:1, v/v) and then cleaned up using the DMSPE procedure. Morpholine from the extract was adsorbed to a polymer cation exchange sorbent and eluted with ammonium hydroxide/acetonitrile (3:97, v/v) through a 1 mL syringe with a 0.22 μm nylon syringe filter. All of the samples were analyzed by UHPLC-HRMS/MS on a Waters Acquity BEH hydrophilic interaction chromatography column using 0.1% formic acid and 4 mM ammonium formate in water/acetonitrile as the mobile phase with gradient elution. The method showed good linearity (R(2) > 0.999) in the range of 1-100 μg/L for the analyte. The limit of detection and limit of quantitation values of morpholine were 2 and 5 μg/kg, respectively. The average recoveries of morpholine from the citrus and apple samples spiked at three different concentrations (5, 20, and 100 μg/kg) were in a range from 78.4 to 102.7%.

Production of meloxicam suspension using pulsed laser ablation in liquid (PLAL) technique

NASA Astrophysics Data System (ADS)

Hopp, Béla; Nagy, Eszter; Peták, Franciska; Smausz, Tomi; Kopniczky, Judit; Tápai, Csaba; Budai, Judit; Papp, Ibolya Zita; Kukovecz, Ákos; Ambrus, Rita; Szabó-Révész, Piroska

2018-04-01

Organic particles in the micrometer/nanometer size range can find applications in various fields. Unfortunately their production is not a straightforward task for a number of materials. In the present work the production of meloxicam particles in the micrometer range was aimed with the help of pulsed laser ablation in liquid environment (PLAL). Targets pressed from crystalline meloxicam powder were placed in distilled water and irradiated with a focused beam of a frequency doubled (532 nm) nanosecond Nd:YAG laser at 4.2–9.4 J cm‑2 fluence. Morphological investigation showed that the produced suspension contained particles in the ~100 nm to 10 µm size range (1.0–2.0 µm on average), which is about 10 times smaller than the size of the initial material. FTIR spectroscopic investigations demonstrated that the chemical composition was preserved, while x-ray diffraction and calorimetric measurements indicated partial amorphization of meloxicam during the process. The overall results suggest that the particles are mostly produced by the fragmentation of the pressed target by the recoil forces induced by the laser pulse. Long period sedimentation tests of the suspension combined with UV–vis spectroscopic analysis showed that by the method of PLAL a greater fraction of the poorly water soluble meloxicam could be dispersed and dissolved in water in a pharmaceutically preferred formation than by simple dissolution of it.

Computational Evaluation of Mg–Salen Compounds as Subsurface Fluid Tracers: Molecular Dynamics Simulations in Toluene–Water Mixtures and Clay Mineral Nanopores

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

Greathouse, Jeffery A.; Boyle, Timothy J.; Kemp, Richard A.

Molecular tracers that can be selectively placed underground and uniquely identified at the surface using simple on-site spectroscopic methods would significantly enhance subsurface fluid monitoring capabilities. To ensure their widespread utility, the solubility of these tracers must be easily tuned to oil- or water-wet conditions as well as reducing or eliminating their propensity to adsorb onto subsurface rock and/or mineral phases. In this work, molecular dynamics simulations were used to investigate the relative solubilities and mineral surface adsorption properties of three candidate tracer compounds comprising Mg–salen derivatives of varying degrees of hydrophilic character. Simulations in water–toluene liquid mixtures indicate thatmore » the partitioning of each Mg–salen compound relative to the interface is strongly influenced by the degree of hydrophobicity of the compound. Simulations of these complexes in fluid-filled mineral nanopores containing neutral (kaolinite) and negatively charged (montmorillonite) mineral surfaces reveal that adsorption tendencies depend upon a variety of parameters, including tracer chemical properties, mineral surface type, and solvent type (water or toluene). Simulation snapshots and averaged density profiles reveal insight into the solvation and adsorption mechanisms that control the partitioning of these complexes in mixed liquid phases and nanopore environments. As a result, this work demonstrates the utility of molecular simulation in the design and screening of molecular tracers for use in subsurface applications.« less

Computational Evaluation of Mg–Salen Compounds as Subsurface Fluid Tracers: Molecular Dynamics Simulations in Toluene–Water Mixtures and Clay Mineral Nanopores

DOE PAGES

Greathouse, Jeffery A.; Boyle, Timothy J.; Kemp, Richard A.

2018-04-11

Molecular tracers that can be selectively placed underground and uniquely identified at the surface using simple on-site spectroscopic methods would significantly enhance subsurface fluid monitoring capabilities. To ensure their widespread utility, the solubility of these tracers must be easily tuned to oil- or water-wet conditions as well as reducing or eliminating their propensity to adsorb onto subsurface rock and/or mineral phases. In this work, molecular dynamics simulations were used to investigate the relative solubilities and mineral surface adsorption properties of three candidate tracer compounds comprising Mg–salen derivatives of varying degrees of hydrophilic character. Simulations in water–toluene liquid mixtures indicate thatmore » the partitioning of each Mg–salen compound relative to the interface is strongly influenced by the degree of hydrophobicity of the compound. Simulations of these complexes in fluid-filled mineral nanopores containing neutral (kaolinite) and negatively charged (montmorillonite) mineral surfaces reveal that adsorption tendencies depend upon a variety of parameters, including tracer chemical properties, mineral surface type, and solvent type (water or toluene). Simulation snapshots and averaged density profiles reveal insight into the solvation and adsorption mechanisms that control the partitioning of these complexes in mixed liquid phases and nanopore environments. As a result, this work demonstrates the utility of molecular simulation in the design and screening of molecular tracers for use in subsurface applications.« less

A novel method for the rapid determination of polyethoxylated tallow amine surfactants in water and sediment using large volume injection with high performance liquid chromatography and tandem mass spectrometry.

PubMed

Ross, Andrew R S; Liao, Xiangjun

2015-08-19

Polyethoxylated tallow amine (POEA) surfactants have been used in many glyphosate-based herbicide formulations for agricultural, industrial and residential weed control. The potential for release of these compounds into the environment is of increasing concern due to their toxicity towards aquatic organisms. Current methods for analysis of POEA surfactants require significant time and effort to achieve limits of quantification that are often higher than the concentrations at which biological effects have been observed (as low as 2 ng mL(-1)). We have developed a rapid and robust method for quantifying the POEA surfactant mixture MON 0818 at biologically relevant concentrations in fresh water, sea water and lake sediment using reversed phase high-performance liquid chromatography and electrospray ionization-tandem mass spectrometry. Water samples preserved by 1:1 v/v dilution with methanol are analyzed directly following centrifugation. Sediment samples undergo accelerated solvent extraction in aqueous methanol prior to analysis. Large volume (100 μL) sample injection and multiple reaction monitoring of a subset of the most abundant POEA homologs provide limits of quantification of 0.5 and 2.9 ng mL(-1) for MON 0818 in fresh water and sea water, respectively, and 2.5 ng g(-1) for total MON 0818 in lake sediment. Average recoveries of 93 and 75% were achieved for samples of water and sediment, respectively spiked with known amounts of MON 0818. Precision and accuracy for the analysis of water and sediment samples were within 10 and 16%, respectively based upon replicate analyses of calibration standards and representative samples. Results demonstrate the utility of the method for quantifying undegraded MON 0818 in water and sediment, although a more comprehensive method may be needed to identify and determine other POEA mixtures and degradation profiles that might occur in the environment. Crown Copyright © 2015. Published by Elsevier B.V. All rights reserved.

Solid-phase extraction combined with high-performance liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry analysis of pesticides in water: method performance and application in a reconnaissance survey of residues in drinking water in Greater Cairo, Egypt.

PubMed

Potter, Thomas L; Mohamed, Mahmoud A; Ali, Hannah

2007-01-24

Monitoring of water resources for pesticide residues is often needed to ensure that pesticide use does not adversely impact the quality of public water supplies or the environment. In many rural areas and throughout much of the developing world, monitoring is often constrained by lack of testing facilities; thus, collection of samples and shipment to centralized laboratories for analysis is required. The portability, ease of use, and potential to enhance analyte stability make solid-phase extraction (SPE) an attractive technique for handling water samples prior to their shipment. We describe performance of an SPE method targeting a structurally diverse mixture of 25 current-use pesticides and two common degradates in samples of raw and filtered drinking water collected in Greater Cairo, Egypt. SPE was completed in a field laboratory in Egypt, and cartridges were shipped to the United States for elution and high-performance liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry analysis. Quantitative and reproducible recovery of 23 of 27 compounds (average = 96%; percent relative standard deviation = 21%) from matrix spikes (1 microg L-1 per component) prepared in the field and from deionized water fortified similarly in the analytical laboratory was obtained. Concurrent analysis of unspiked samples identified four parent compounds and one degradate in drinking water samples. No significant differences were observed between raw and filtered samples. Residue levels in all cases were below drinking water and "harm to aquatic-life" thresholds, indicating that human and ecological risks of pesticide contamination were relatively small; however, the study was limited in scale and scope. Further monitoring is needed to define spatial and temporal variation in residue concentrations. The study has demonstrated the feasibility of performing studies of this type using SPE to extract and preserve samples in the field. The approach should be broadly applicable in many settings.

To what extent does terrestrial life "follow the water"?

PubMed

Jones, Eriita G; Lineweaver, Charles H

2010-04-01

Terrestrial life is known to require liquid water, but not all terrestrial water is inhabited. Thus, liquid water is a necessary, but not sufficient, condition for life. To quantify the terrestrial limits on the habitability of water and help identify the factors that make some terrestrial water uninhabited, we present empirical pressure-temperature (P-T) phase diagrams of water, Earth, and terrestrial life. Eighty-eight percent of the volume of Earth where liquid water exists is not known to host life. This potentially uninhabited terrestrial liquid water includes (i) hot and deep regions of Earth where some combination of high temperature (T > 122 degrees C) and restrictions on pore space, nutrients, and energy is the limiting factor and (ii) cold and near-surface regions of Earth, such as brine inclusions and thin films in ice and permafrost (depths less than approximately 1 km), where low temperatures (T < -40 degrees C), low water activity (a(w) < 0.6), or both are the limiting factors. If the known limits of terrestrial life do not change significantly, these limits represent important constraints on our biosphere and, potentially, on others, since approximately 4 billion years of evolution have not allowed life to adapt to a large fraction of the volume of Earth where liquid water exists.

Investigation of water seepage through porous media using X-ray imaging technique

NASA Astrophysics Data System (ADS)

Jung, Sung Yong; Lim, Seungmin; Lee, Sang Joon

2012-07-01

SummaryDynamic movement of wetting front and variation of water contents through three different porous media were investigated using X-ray radiography. Water and natural sand particles were used as liquid and porous media in this study. To minimize the effects of minor X-ray attenuation and uneven illumination, the flat field correction (FFC) was applied before determining the position of wetting front. In addition, the thickness-averaged (in the direction of the X-ray penetration) water content was obtained by employing the Beer-Lambert law. The initial inertia of water droplet influences more strongly on the vertical migration, compared to the horizontal migration. The effect of initial inertia on the horizontal migration is enhanced as sand size decreases. The pattern of water transport is observed to be significantly affected by the initial water contents. As the initial water contents increases, the bulb-type transport pattern is shifted to a trapezoidal shape. With increasing surface temperature, water droplets are easily broken on the sand surface. This consequently decreases the length of the initial inertia region. Different from the wetting front migration, the water contents at the initial stage clearly exhibit a preferential flow along the vertical direction. The water transport becomes nearly uniform in all directions beyond the saturation state.

Catalytic asymmetric dihydroxylation of olefins using a recoverable and reusable OsO(4)2- in ionic liquid [bmim][PF6].

PubMed

Branco, Luís C; Afonso, Carlos A M

2002-12-21

The use of the solvent systems water/ionic liquid or water/ionic liquid/tert-butanol provides a recoverable, reusable, robust and simple system for the asymmetric dihydroxylation of olefins, based on the immobilization of the osmium-ligand catalyst in the ionic liquid phase.

Conductive sub-layer of twisted-tape-induced swirl-flow heat transfer in vertical circular tubes with various twisted-tape inserts

NASA Astrophysics Data System (ADS)

Hata, K.; Fukuda, K.; Masuzaki, S.

2018-04-01

Twisted-tape-induced swirl-flow heat transfer due to exponentially increasing heat inputs with various exponential periods ( Q = Q 0 exp(t/τ), τ = 6.04 to 23.07 s) and twisted-tape-induced pressure drop was systematically measured for various mass velocities ( G = 4115 to 13,656 kg/m2 s), inlet liquid temperatures ( T in = 285.88 to 299.09 K), and inlet pressures ( P in = 847.45 to 943.29 kPa) using an experimental water loop flow. Measurements were made over a 59.2-mm effective length and three sections (upper, middle, and lower positions), within which four potential taps were spot-welded onto the outer surface of a 6-mm-inner-diameter, 69.6-mm-heated length, 0.4-mm-thickness platinum circular test tube. Type SUS304 twisted tapes with a width w = 5.6 mm, a thickness δ T = 0.6 mm, a total length l = 372 mm, and twist ratios y = 2.39 and 4.45 were employed in this study. The RANS equations (Reynolds Averaged Navier-Stokes Simulation) with a k-ɛ turbulence model for a circular tube 6 mm in diameter and 636 mm in length were numerically solved for heating of water with a heated section 6 mm in diameter and 70 mm in length using the CFD code, under the same conditions as the experimental ones and considering the temperature dependence of the thermo-physical properties concerned. The theoretical values of surface heat flux q on the circular tubes with twisted tapes with twist ratios y of 2.39 and 4.45 were found to be almost in agreement with the corresponding experimental values of heat flux q, with deviations of less than 30% for the range of temperature difference between the average heater inner surface temperature and the liquid bulk mean temperature ΔT L [ = T s,av - T L , T L = ( T in + T out )/2] considered in this study. The theoretical values of the local surface temperature T s , local average liquid temperature T f,av , and local liquid pressure drop ΔP x were found to be within almost 15% of the corresponding experimental ones. The thickness of the conductive sub-layer δ CSL and the nondimensional thickness of the conductive sub-layer y + CSL on the circular tubes with various twisted-tape inserts were determined on the basis of numerical solutions for the swirl velocities u sw ranging from 5.23 to 21.18 m/s. Correlations between the conductive sub-layer thickness δ CSL and the nondimensional thickness of the conductive sub-layer y + CSL for twisted-tape-induced swirl-flow heat transfer in a vertical circular tube were derived.

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.

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)

Activity of aspargate (cathepsin D), cysteine proteases (cathepsins B, B + L, and H), and matrix metallopeptidase (collagenase) and their influence on protein and water-holding capacity of muscle in commercially farmed atlantic halibut (Hippoglossus hippoglossus L.).

PubMed

Hagen, Orjan; Solberg, Christel; Johnston, Ian A

2008-07-23

Atlantic halibut (Hippoglossus hippoglossus L.) were commercially farmed in Helgeland, Norway (May 2004-May 2005). The average weight (Mb) of fish increased over the 12 month production cycle by approximately 73% for females and approximately 50% for males, although during the winter months (November-early May) Mb was unchanged in females and declined by 18% in males because of sexual maturation and sperm release. Periods of zero or negative growth were associated with up to 5.7% (females) and 17.9% (males) decline in fast muscle protein content. The activities of cathepsins B, B + L, H, and D showed a reciprocal relationship and were highly correlated with the changes in protein content. Water-holding capacity was measured as the liquid loss increased from 3-5% in November to 11-13% in May. Two general additive models (GAMs) showed that cathepsin B + L, cathepsin D, and collagenase explained 73.1% of the total variance in protein content, while cathepsin H was the largest contributor to liquid loss, explaining approximately 48.8% of the total variance. The results indicate that to obtain the best flesh quality Atlantic halibut should be harvested in the fall or early winter when the liquid loss and cathepsin activities are low and less likely to cause problems during secondary processing and storage.

Formation of complex precursors of amino acids by irradiation of simulated interstellar media with heavy ions

NASA Astrophysics Data System (ADS)

Kobayashi, K.; Suzuki, N.; Taniuchi, T.; Kaneko, T.; Yoshida, S.

A wide variety of organic compounds have been detected in such extraterrestrial bodies as meteorites and comets Amino acids were identified in the extracts from Murchison meteorite and other carbonaceous chondrites It is hypothesized that these compounds are originally formed in ice mantles of interstellar dusts ISDs in molecular clouds by cosmic rays and ultraviolet light UV Formation of amino acid precursors by high energy protons or UV irradiation of simulated ISDs was reported by several groups The amino acid precursors were however not well-characterized We irradiated a frozen mixture of methanol ammonia and water with heavy ions to study possible organic compounds abiotically formed in molecular clouds by cosmic rays A mixture of methanol ammonia and water was irradiated with carbon beams 290 MeV u from a heavy ion accelerator HIMAC of National Institute of Radiological Sciences Japan Irradiation was performed either at room temperature liquid phase or at 77 K solid phase The products were characterized by gel filtration chromatography GFC FT-IR pyrolysis PY -GC MS etc Amino acids were analyzed by HPLC and GC MS after acid hydrolysis or the products Amino acids such as glycine and alanine were identified in the products in both the cases of liquid phase and solid phase irradiation Energy yields G-values of glycine were 0 014 liquid phase and 0 007 solid phase respectively Average molecular weights of the products were estimated as to 2300 in both the case Aromatic hydrocarbons N-containing heterocyclic

Particle self-assembly at ionic liquid-based interfaces.

PubMed

Frost, Denzil S; Nofen, Elizabeth M; Dai, Lenore L

2014-04-01

This review presents an overview of the nature of ionic liquid (IL)-based interfaces and self-assembled particle morphologies of IL-in-water, oil- and water-in-IL, and novel IL-in-IL Pickering emulsions with emphasis on their unique phenomena, by means of experimental and computational studies. In IL-in-water Pickering emulsions, particles formed monolayers at ionic liquid-water interfaces and were close-packed on fully covered emulsion droplets or aggregated on partially covered droplets. Interestingly, other than equilibrating at the ionic liquid-water interfaces, microparticles with certain surface chemistries were extracted into the ionic liquid phase with a high efficiency. These experimental findings were supported by potential of mean force calculations, which showed large energy drops as hydrophobic particles crossed the interface into the IL phase. In the oil- and water-in-IL Pickering emulsions, microparticles with acidic surface chemistries formed monolayer bridges between the internal phase droplets rather than residing at the oil/water-ionic liquid interfaces, a significant deviation from traditional Pickering emulsion morphology. Molecular dynamics simulations revealed aspects of the mechanism behind this bridging phenomenon, including the role of the droplet phase, surface chemistry, and inter-particle film. Novel IL-in-IL Pickering emulsions exhibited an array of self-assembled morphologies including the previously observed particle absorption and bridging phenomena. The appearance of these morphologies depended on the particle surface chemistry as well as the ILs used. The incorporation of particle self-assembly with ionic liquid science allows for new applications at the intersection of these two fields, and have the potential to be numerous due to the tunability of the ionic liquids and particles incorporated, as well as the particle morphology by combining certain groups of particle surface chemistry, IL type (protic or aprotic), and whether oil or water is incorporated. © 2013.

ISDAC Microphysics

DOE Data Explorer

McFarquhar, Greg

2011-07-25

Best estimate of cloud microphysical parameters derived using data collected by the cloud microphysical probes installed on the National Research Council (NRC) of Canada Convair-580 during ISDAC. These files contain phase, liquid and ice crystal size distributions (Nw(D) and Ni(D) respectively), liquid water content (LWC), ice water content (IWC), extinction of liquid drops (bw), extinction of ice crystals (bi), effective radius of water drops (rew) and of ice crystals (rei) and median mass diameter of liquid drops (Dmml) and of ice crystals (Dmmi) at 30 second resolution.

Total reflection infrared spectroscopy of water-ice and frozen aqueous NaCl solutions.

PubMed

Walker, Rachel L; Searles, Keith; Willard, Jesse A; Michelsen, Rebecca R H

2013-12-28

Liquid-like and liquid water at and near the surface of water-ice and frozen aqueous sodium chloride films were observed using attenuated total reflection infrared spectroscopy (ATR-IR). The concentration of NaCl ranged from 0.0001 to 0.01 M and the temperature varied from the melting point of water down to 256 K. The amount of liquid brine at the interface of the frozen films with the germanium ATR crystal increased with salt concentration and temperature. Experimental spectra are compared to reflection spectra calculated for a simplified morphology of a uniform liquid layer between the germanium crystal and the frozen film. This morphology allows for the amount of liquid observed in an experimental spectrum to be converted to the thickness of a homogenous layer with an equivalent amount of liquid. These equivalent thickness ranges from a nanometer for water-ice at 260 K to 170 nm for 0.01 M NaCl close to the melting point. The amounts of brine observed are over an order of magnitude less than the total liquid predicted by equilibrium thermodynamic models, implying that the vast majority of the liquid fraction of frozen solutions may be found in internal inclusions, grain boundaries, and the like. Thus, the amount of liquid and the solutes dissolved in them that are available to react with atmospheric gases on the surfaces of snow and ice are not well described by thermodynamic equilibrium models which assume the liquid phase is located entirely at the surface.

Experimental and analytical analysis of polarization and water transport behaviors of hydrogen alkaline membrane fuel cell

NASA Astrophysics Data System (ADS)

Huo, Sen; Zhou, Jiaxun; Wang, Tianyou; Chen, Rui; Jiao, Kui

2018-04-01

Experimental test and analytical modeling are conducted to investigate the operating behavior of an alkaline electrolyte membrane (AEM) fuel cell fed by H2/air (or O2) and explore the effect of various operating pressures on the water transfer mechanism. According to the experimental test, the cell performance is greatly improved through increasing the operating pressure gradient from anode to cathode which leads to significant liquid water permeation through the membrane. The high frequency resistance of the A901 alkaline membrane is observed to be relatively stable as the operating pressure varies based on the electrochemical impedance spectroscopy (EIS) method. Correspondingly, based on the modeling prediction, the averaged water content in the membrane electrode assembly (MEA) does not change too much which leads to the weak variation of membrane ohmic resistance. This reveals that the performance enhancement should give the credit to better electro-chemical reaction kinetics for both the anode and cathode, also prone by the EIS results. The reversion of water back diffusion direction across the membrane is also observed through analytical solution.

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.

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.

Classical density-functional theory of inhomogeneous water including explicit molecular structure and nonlinear dielectric response.

PubMed

Lischner, Johannes; Arias, T A

2010-02-11

We present an accurate free-energy functional for liquid water written in terms of a set of effective potential fields in which fictitious noninteracting water molecules move. The functional contains an exact expression of the entropy of noninteracting molecules and thus provides an ideal starting point for the inclusion of complex intermolecular interactions which depend on the orientation of the interacting molecules. We show how an excess free-energy functional can be constructed to reproduce the following properties of water: the dielectric response; the experimental site-site correlation functions; the surface tension; the bulk modulus of the liquid and the variation of this modulus with pressure; the density of the liquid and the vapor phase; and liquid-vapor coexistence. As a demonstration, we present results for the application of this theory to the behavior of liquid water in a parallel plate capacitor. In particular, we make predictions for the dielectric response of water in the nonlinear regime, finding excellent agreement with known data.

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.

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.

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 6.0×10-6-8.0×10-4%, respectively, of the Martian atmospheric water vapour inventory. Thin liquid film thicknesses on/in subsurface ice were investigated via two scenarios: (i) under the idealistic case where it is assumed that the diurnal thermal wave is equal to the temperature of ice tens of centimetres below the surface, allowing for such ice to experience temperatures close to 273 K and (ii) under the, likely, realistic scenario where the diurnal thermal wave allows for the maximum subsurface ice temperature of 235 K at 1 m depth between 30°N and 30°S. Scenario 1 yields thin liquid film thicknesses ranging from 11 to 90 nm; these amounts represent 4×106-3.0×107 litres of water. For pure water ice, Scenario 2 reveals that the thickness of thin liquid films contained on/within Martian subsurface is less than 1.2 nm, several molecular layers thick. Conversely, via the effect of impurities at 235 K allows for a thin liquid film thickness on/within subsurface ice of 0.5 nm, corresponding to 6.0×104 litres of water. The existence of thin films on Mars is supported by data from the Mars Exploration Rovers (MERs) Spirit and Opportunity's Alpha Proton X-ray Spectrometer instrumentation, which have detected increased levels of bromine beneath the immediate surface, suggestive of the mobilization of soluble salts by thin films of liquid water towards local cold traps. These findings show that biological activity on the Martian surface and subsurface is not limited by nanometre dimensions of available water.

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.

Impact of fog processing on water soluble organic aerosols.

NASA Astrophysics Data System (ADS)

Tripathi, S. N.; Chakraborty, A.; Gupta, T.

2017-12-01

Fog is a natural meteorological phenomenon that occurs all around the world, and contains a substantial quantity of liquid water. Fog is generally seen as a natural cleansing agent but can also form secondary organic aerosols (SOA) via aqueous processing of ambient organics. Few field studies have reported elevated O/C ratio and SOA mass during or after fog events. However, mechanism behind aqueous SOA formation and its contribution to total organic aerosols (OA) still remains unclear. In this study we have tried to explore the impact of fog/aqueous processing on the characteristics of water soluble organic aerosols (WSOC), which to our knowledge has not been studied before. To assess this, both online (using HR-ToF-AMS) and offline (using a medium volume PM2.5 sampler and quartz filter) aerosol sampling were carried out at Kanpur, India from 15 December 2014 - 10 February 2015. Further, offline analysis of the aqueous extracts of the collected filters were carried out by AMS to characterize the water soluble OA (WSOA). Several (17) fog events occurred during the campaign and high concentrations of OA (151 ± 68 µg/m3) and WSOA (47 ± 19 µg/m3) were observed. WSOA/OA ratios were similar during fog (0.36 ± 0.14) and nofog (0.34 ± 0.15) periods. WSOA concentrations were also similar (slightly higher) during foggy (49 ± 18 µg/m3) and non-foggy periods (46 ± 20 µg/m3), in spite of fog scavenging. However, WSOA was more oxidized during foggy period (average O/C = 0.81) than non foggy periods (average O/C = 0.70). Like WSOA, OA was also more oxidized during foggy periods (average O/C = 0.64) than non foggy periods (average O/C = 0.53). During fog, WSOA to WIOA (water insoluble OA) ratios were higher (0.65 ± 0.16) compared to non foggy periods (0.56 ± 0.15). These observations clearly showed that WSOA become more dominant and processed during fog events, possibly due to the presence of fog droplets. This study highlights that fog processing of soluble organics can affect the overall chemical characteristics of the entire aerosol population.

Water in the world

USGS Publications Warehouse

Leopold, Luna Bergere

1964-01-01

The earth, Including Its oceans and atmosphere, ls a giant distillation system whose operation brings about the distribution of fresh water throughout the world, from the frozen wastes of polar regions to the burning equatorial deserts. Stated in the simplest terms, distillation, condensation and liquid flow are the elemental processes which, on a grand scale, distribute and circulate throughout the world the water which ls essential for all life.Water in liquid form absorbs heat energy, chiefly from the sun, and the absorbed energy changes the water from liquid to gaseous form. Transported in the atmosphere, the vapour later meets cooler conditions and condenses as precipitation, some of which replenishes the water in land areas.Because water is continually being transformed from liquid to vapour and back to liquid again, the whole sequence of events ends where It began. That ls, the condensed moisture in the form of precipitation runs Into or off the surface of the earth, and a part of It collects in rivers which flow to the ocean. The events together form what is called the hydrological cycle.

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.

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.

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.

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

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.

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'.

Thermal conductivity of supercooled water.

PubMed

Biddle, John W; Holten, Vincent; Sengers, Jan V; Anisimov, Mikhail A

2013-04-01

The heat capacity of supercooled water, measured down to -37°C, shows an anomalous increase as temperature decreases. The thermal diffusivity, i.e., the ratio of the thermal conductivity and the heat capacity per unit volume, shows a decrease. These anomalies may be associated with a hypothesized liquid-liquid critical point in supercooled water below the line of homogeneous nucleation. However, while the thermal conductivity is known to diverge at the vapor-liquid critical point due to critical density fluctuations, the thermal conductivity of supercooled water, calculated as the product of thermal diffusivity and heat capacity, does not show any sign of such an anomaly. We have used mode-coupling theory to investigate the possible effect of critical fluctuations on the thermal conductivity of supercooled water and found that indeed any critical thermal-conductivity enhancement would be too small to be measurable at experimentally accessible temperatures. Moreover, the behavior of thermal conductivity can be explained by the observed anomalies of the thermodynamic properties. In particular, we show that thermal conductivity should go through a minimum when temperature is decreased, as Kumar and Stanley observed in the TIP5P model of water. We discuss physical reasons for the striking difference between the behavior of thermal conductivity in water near the vapor-liquid and liquid-liquid critical points.

Multi-scale study of condensation in water jets using ellipsoidal-statistical Bhatnagar-Gross-Krook and molecular dynamics modeling

NASA Astrophysics Data System (ADS)

Li, Zheng; Borner, Arnaud; Levin, Deborah A.

2014-06-01

Homogeneous water condensation and ice formation in supersonic expansions to vacuum for stagnation pressures from 12 to 1000 mbar are studied using the particle-based Ellipsoidal-Statistical Bhatnagar-Gross-Krook (ES-BGK) method. We find that when condensation starts to occur, at a stagnation pressure of 96 mbar, the increase in the degree of condensation causes an increase in the rotational temperature due to the latent heat of vaporization. The simulated rotational temperature profiles along the plume expansion agree well with measurements confirming the kinetic homogeneous condensation models and the method of simulation. Comparisons of the simulated gas and cluster number densities, cluster size for different stagnation pressures along the plume centerline were made and it is found that the cluster size increase linearly with respect to stagnation pressure, consistent with classical nucleation theory. The sensitivity of our results to cluster nucleation model and latent heat values based on bulk water, specific cluster size, or bulk ice are examined. In particular, the ES-BGK simulations are found to be too coarse-grained to provide information on the phase or structure of the clusters formed. For this reason, molecular dynamics simulations of water condensation in a one-dimensional free expansion to simulate the conditions in the core of a plume are performed. We find that the internal structure of the clusters formed depends on the stagnation temperature. A larger cluster of average size 21 was tracked down the expansion, and a calculation of its average internal temperature as well as a comparison of its radial distribution functions (RDFs) with values measured for solid amorphous ice clusters lead us to conclude that this cluster is in a solid-like rather than liquid form. In another molecular-dynamics simulation at a much lower stagnation temperature, a larger cluster of size 324 and internal temperature 200 K was extracted from an expansion plume and equilibrated to determine its RDF and self-diffusion coefficient. The value of the latter shows that this cluster is formed in a supercooled liquid state rather than in an amorphous solid state.

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).

Time-dependent Gas-liquid Interaction in Molecular-sized Nanopores

PubMed Central

Sun, Yueting; Li, Penghui; Qiao, Yu; Li, Yibing

2014-01-01

Different from a bulk phase, a gas nanophase can have a significant effect on liquid motion. Herein we report a series of experimental results on molecular behaviors of water in a zeolite β of molecular-sized nanopores. If sufficient time is provided, the confined water molecules can be “locked” inside a nanopore; otherwise, gas nanophase provides a driving force for water “outflow”. This is due to the difficult molecular site exchanges and the relatively slow gas-liquid diffusion in the nanoenvironment. Depending on the loading rate, the zeolite β/water system may exhibit either liquid-spring or energy-absorber characteristics. PMID:25293525

Miscibility at the immiscible liquid/liquid interface: A molecular dynamics study of thermodynamics and mechanism

NASA Astrophysics Data System (ADS)

Karnes, John J.; Benjamin, Ilan

2018-01-01

Molecular dynamics simulations are used to study the dissolution of water into an adjacent, immiscible organic liquid phase. Equilibrium thermodynamic and structural properties are calculated during the transfer of water molecule(s) across the interface using umbrella sampling. The net free energy of transfer agrees reasonably well with experimental solubility values. We find that water molecules "prefer" to transfer into the adjacent phase one-at-a-time, without co-transfer of the hydration shell, as in the case of evaporation. To study the dynamics and mechanism of transfer of water to liquid nitrobenzene, we collected over 400 independent dissolution events. Analysis of these trajectories suggests that the transfer of water is facilitated by interfacial protrusions of the water phase into the organic phase, where one water molecule at the tip of the protrusion enters the organic phase by the breakup of a single hydrogen bond.

Permeability of cork for water and ethanol.

PubMed

Fonseca, Ana Luisa; Brazinha, Carla; Pereira, Helena; Crespo, Joao G; Teodoro, Orlando M N D

2013-10-09

Transport properties of natural (noncompressed) cork were evaluated for water and ethanol in both vapor and liquid phases. The permeability for these permeants has been measured, as well as the sorption and diffusion coefficients. This paper focuses on the differences between the transport of gases' relevant vapors and their liquids (water and ethanol) through cork. A transport mechanism of vapors and liquids is proposed. Experimental evidence shows that both vapors and liquids permeate not only through the small channels across the cells (plasmodesmata), as in the permeation of gases, but also through the walls of cork cells by sorption and diffusion as in dense membranes. The present study also shows that cork permeability for gases was irreversibly and drastically decreased after cork samples were exposed to ethanol or water in liquid phase.

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.

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.

[Corrected Title: Solid-Phase Extraction of Polar Compounds from Water] Automated Electrostatics Environmental Chamber

NASA Technical Reports Server (NTRS)

Sauer, Richard; Rutz, Jeffrey; Schultz, John

2005-01-01

A solid-phase extraction (SPE) process has been developed for removing alcohols, carboxylic acids, aldehydes, ketones, amines, and other polar organic compounds from water. This process can be either a subprocess of a water-reclamation process or a means of extracting organic compounds from water samples for gas-chromatographic analysis. This SPE process is an attractive alternative to an Environmental Protection Administration liquid-liquid extraction process that generates some pollution and does not work in a microgravitational environment. In this SPE process, one forces a water sample through a resin bed by use of positive pressure on the upstream side and/or suction on the downstream side, thereby causing organic compounds from the water to be adsorbed onto the resin. If gas-chromatographic analysis is to be done, the resin is dried by use of a suitable gas, then the adsorbed compounds are extracted from the resin by use of a solvent. Unlike the liquid-liquid process, the SPE process works in both microgravity and Earth gravity. In comparison with the liquid-liquid process, the SPE process is more efficient, extracts a wider range of organic compounds, generates less pollution, and costs less.

Liquid and atmospheric ammonia concentrations from a dairy lagoon during an aeration experiment

NASA Astrophysics Data System (ADS)

Rumburg, Brian; Neger, Manjit; Mount, George H.; Yonge, David; Filipy, Jenny; Swain, John; Kincaid, Ron; Johnson, Kristen

Ammonia emissions from agriculture are an environmental and human health concern, and there is increasing pressure to reduce emissions. Animal agriculture is the largest global source of ammonia emissions and on a per cow basis dairy operations are the largest emitters. The storage and disposal of the dairy waste is one area where emissions can be reduced, aerobic biological treatment of wastewater being a common and effective way of reducing ammonia emissions. An aeration experiment in a dairy lagoon with two commercial aerators was performed for 1 month. Liquid concentrations of ammonia, total nitrogen, nitrite and nitrate were monitored before, during and after the experiment and atmospheric ammonia was measured downwind of the lagoon using a short-path differential optical absorption spectroscopy (DOAS) instrument with 1 ppbv sensitivity. No changes in either liquid or atmospheric ammonia concentrations were detected throughout the experiment, and neither dissolved oxygen, nitrite nor nitrate could be detected in the lagoon at any time. The average ammonia concentration at 10 sampling sites in the lagoon at a depth of 0.15 m was 650 mg l -1 and at 0.90 m it was 700 mg l -1 NH 3-N. The average atmospheric ammonia concentration 50 m downwind was about 300 ppbv. The 0.90 m depth total nitrogen concentrations and total and volatile solids concentrations decreased during the experiment due to some mixing of the lagoon but the 0.15 m depth concentrations did not decrease indicating that the aerators were not strong enough to mix the sludge off the bottom into the whole water column.

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...

Occurrence of acidic pharmaceuticals and personal care products in Turia River Basin: from waste to drinking water.

PubMed

Carmona, Eric; Andreu, Vicente; Picó, Yolanda

2014-06-15

The occurrence of 21 acidic pharmaceuticals, including illicit drugs, and personal care products (PPCPs) in waste, surface and drinking water and in sediments of the Turia River Basin (Valencia, Spain) was studied. A liquid chromatography tandem mass spectrometry (LC-MS/MS) method was developed for the determination of these PPCPs with electrospray (ESI) in negative ionization (NI) mode. Ammonium fluoride in the mobile phase improved ionization efficiency by an average increase in peak area of 5 compared to ammonium formate or formic acid. All studied compounds were detected and their concentration was waste water>surface water>drinking water. PPCPs were in waste water treatment plants (WWTPs) influents up to 7.26μgL(-1), dominated by ibuprofen, naproxen and 11-nor-9-carboxy-Δ9-tetrahydrocannabinol (THCOOH). WWTPs were highly effective in removing most of them, with an average removal rate of >90%. PPCPs were still detected in effluents in the 6.72-940ngL(-1) range, with the THCOOH, triclocarban, gemfibrozil and diclofenac as most prevalent. Similarly, diclofenac, gemfibrozil, ibuprofen, naproxen and propylparaben were detected quite frequently from the low ngL(-1) range to 7μgL(-1) in the surface waters of Turia River. Ibuprofen, methylparaben, salicylic acid and tetrahydrocannabinol (THC) were at concentrations up to 0.85ngg(-1) d.w. in sediments. The discharge of WWTP as well as of non-treated waters to this river is a likely explanation for the significant amount of PPCPs detected in surface waters and sediments. Mineral and tap waters also presented significant amounts (approx. 100ngL(-1)) of ibuprofen, naproxen, propylparaben and butylparaben. The occurrence at trace levels of several PPCPs in drinking water raises concerns about possible implications for human health. Copyright © 2014 Elsevier B.V. All rights reserved.

Characterization of supramolecular (H2O)18 water morphology and water-methanol (H2O)15(CH3OH)3 clusters in a novel phosphorus functionalized trimeric amino acid host.

PubMed

Raghuraman, Kannan; Katti, Kavita K; Barbour, Leonard J; Pillarsetty, Nagavarakishore; Barnes, Charles L; Katti, Kattesh V

2003-06-11

Phosphorus functionalized trimeric alanine compounds (l)- and (d)-P(CH(2)NHCH(CH(3))COOH)(3) 2 are prepared in 90% yields by the Mannich reaction of Tris(hydroxymethyl)phosphine 1 with (l)- or (d)- Alanine in aqueous media. The hydration properties of (l)-2 and (d)-2 in water and water-methanol mixtures are described. The crystal structure analysis of (l)-2.4H(2)O, reveals that the alanine molecules pack to form two-dimensional bilayers running parallel to (001). The layered structural motif depicts two closely packed monolayers of 2 each oriented with its phosphorus atoms projected at the center of the bilayer and adjacent monolayers are held together by hydrogen bonds between amine and carboxylate groups. The water bilayers are juxtaposed with the H-bonded alanine trimers leading to 18-membered (H(2)O)(18) water rings. Exposure of aqueous solution of (l)-2 and (d)-2 to methanol vapors resulted in closely packed (l)-2 and (d)-2 solvated with mixed water-methanol (H(2)O)(15)(CH(3)OH)(3) clusters. The O-O distances in the mixed methanol-water clusters of (l)-2.3H(2)O.CH(3)OH and (d)-2.3H(2)O.CH(3)OH (O-O(average) = 2.857 A) are nearly identical to the O-O distance observed in the supramolecular (H(2)O)(18) water structure (O-O(average) = 2.859 A) implying the retention of the hydrogen bonded structure in water despite the accommodation of hydrophobic methanol groups within the supramolecular (H(2)O)(15)(CH(3)OH)(3) framework. The O-O distances in (l)-2.3H(2)O.CH(3)OH and (d)-2.3H(2)O.CH(3)OH and in (H(2)O)(18) are very close to the O-O distance reported for liquid water (2.85 A).

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.

Zwitterionization of glycine in water environment: Stabilization mechanism and NMR spectral signatures

NASA Astrophysics Data System (ADS)

Valverde, Danillo; da Costa Ludwig, Zélia Maria; da Costa, Célia Regina; Ludwig, Valdemir; Georg, Herbert C.

2018-01-01

At physiological conditions, myriads of biomolecules (e.g., amino acids, peptides, and proteins) exist predominantly in the zwitterionic structural form and their biological functions will result in these conditions. However these geometrical structures are inaccessible energetically in the gas phase, and at this point, stabilization of amino-acids in physiological conditions is still under debate. In this paper, the electronic properties of a glycine molecule in the liquid environment were studied by performing a relaxation of the glycine geometry in liquid water using the free energy gradient method combined with a sequential quantum mechanics/molecular mechanics approach. A series of Monte Carlo Metropolis simulations of the glycine molecule embedded in liquid water, followed by only a quantum mechanical calculation in each of them were carried out. Both the local and global liquid environments were emphasized to obtain nuclear magnetic resonance (NMR) parameters for the glycine molecule in liquid water. The results of the equilibrium structure in solution and the systematic study of the hydrogen bonds were used to discard the direct proton transfer from the carboxyl group to the ammonium group of the glycine molecule in water solution. The calculations of the Density Functional Theory (DFT) were performed to study the polarization of the solvent in the parameters of nuclear magnetic resonance of the glycine molecule in liquid water. DFT calculations predicted isotropic chemical changes on the H, C, N, and O atoms of glycine in liquid water solution which agree with the available experimental data.

Continuous melting through a hexatic phase in confined bilayer water

NASA Astrophysics Data System (ADS)

Zubeltzu, Jon; Corsetti, Fabiano; Fernández-Serra, M. V.; Artacho, Emilio

2016-06-01

Liquid water is not only of obvious importance but also extremely intriguing, displaying many anomalies that still challenge our understanding of such an a priori simple system. The same is true when looking at nanoconfined water: The liquid between constituents in a cell is confined to such dimensions, and there is already evidence that such water can behave very differently from its bulk counterpart. A striking finding has been reported from computer simulations for two-dimensionally confined water: The liquid displays continuous or discontinuous melting depending on its density. In order to understand this behavior, we have analyzed the melting exhibited by a bilayer of nanoconfined water by means of molecular dynamics simulations. At high density we observe the continuous melting to be related to the phase change of the oxygens only, with the hydrogens remaining liquidlike throughout. Moreover, we find an intermediate hexatic phase for the oxygens between the liquid and a triangular solid ice phase, following the Kosterlitz-Thouless-Halperin-Nelson-Young theory for two-dimensional melting. The liquid itself tends to maintain the local structure of the triangular ice, with its two layers being strongly correlated yet with very slow exchange of matter. The decoupling in the behavior of the oxygens and hydrogens gives rise to a regime in which the complexity of water seems to disappear, resulting in what resembles a simple monoatomic liquid. This intrinsic tendency of our simulated water may be useful for understanding novel behaviors in other confined and interfacial water systems.

LIGHT NONAQUEOUS PHASE LIQUIDS

EPA Science Inventory

Nonaqueous phase liquids (NAPLS) are hydrocarbons that exist as a separate, immiscible phase when in contact with water and/or air. ifferences in the physical and chemical properties of water and NAPL result in the formation of a physical interface between the liquids which preve...

Acoustic cavitation in 1-butyl-3-methylimidazolium bis(triflluoromethyl-sulfonyl)imide based ionic liquid.

PubMed

Merouani, Slimane; Hamdaoui, Oualid; Haddad, Boumediene

2018-03-01

In this work, a comparison between the temperatures/pressures within acoustic cavitation bubble in an imidazolium-based room-temperature ionic liquid (RTIL), 1-butyl-3-methylimidazolium bis(triflluoromethyl-sulfonyl)imide ([BMIM][NTf 2 ]), and in water has been made for a wide range of cavitation parameters including frequency (140-1000kHz), acoustic intensity (0.5-1Wcm -2 ), liquid temperature (20-50°C) and external static pressure (0.7-1.5atm). The used cavitation model takes into account the liquid compressibility as well as the surface tension and the viscosity of the medium. It was found that the bubble temperatures and pressures were always much higher in the ionic liquid compared to those predicted in water. The valuable effect of [BMIM][NTf 2 ] on the bubble temperature was more pronounced at higher acoustic intensity and liquid temperature and lower frequency and external static pressure. However, confrontation between the predicted and the experimental estimated temperatures in ionic liquids showed an opposite trend as the temperatures measured in some pure ionic liquids are of the same order as those observed in water. The injection of liquid droplets into cavitation bubbles, the pyrolysis of ionic liquids at the bubble-solution interface as well as the lower number of collapsing bubbles in the ionic liquid may be the responsible for the lower measured bubble temperatures in ionic liquids, as compared with water. Copyright © 2017 Elsevier B.V. All rights reserved.

NafionxAE-based polymer actuators with ionic liquids as solvent incorporated at room temperature

NASA Astrophysics Data System (ADS)

Kikuchi, Kunitomo; Tsuchitani, Shigeki

2009-09-01

Nafion®-based ionic polymer-metal composites (IPMCs), with ionic liquids as solvent, were fabricated by exchanging counterions to ionic liquids at room temperature. Ion exchange is performed by only immersing IPMC in a mixture of de-ionized water and ionic liquids at room temperature for 48 h. The fabricated IPMCs exhibited a bending curvature the same as or larger than that of conventional IPMCs with ionic liquids, formed by ion exchange to ionic liquids at an elevated temperature up to about 100 °C, and also had long-term stability in operation in air, with a fluctuation smaller than 21% in bending curvature during a 180 min operation. The effective ion exchange to ionic liquids in the present method is probably due to an increase in diffusion speed of ionic liquids into IPMC by adsorption of water in a Nafion® membrane. It is a surprise that among IPMCs with ionic liquids 1-ethyl-3-methyl-imidazolium tetrafluoroborate, 1-buthyl-3-methyl-imidazolium tetrafluoroborate (BMIBF4), and 1-buthyl-3-methyl-imidazolium hexafluorophosphate (BMIPF6), IPMC with water-insoluble BMIPF6 exhibited a larger bending curvature than that IPMC with water-miscible BMIBF4. This might be due to effective incorporation of BMIPF6 into IPMC, since BMIPF6 has a higher affinity with IPMC than with water in the mixture of water and BMIPF6. From measurements of complex impedance and step voltage response of the driving current of IPMCs with ionic liquid, they are expressed by an equivalent circuit of a parallel combination of a serial circuit of membrane resistance of Nafion® and electric double layer capacitance at metal electrodes, with membrane capacitance of Nafion®, in a frequency range higher than about 0.1 Hz. The difference in magnitude of bending curvature in three kinds of IPMCs with ionic liquids is mainly due to the difference in bending response speed coming from the difference in the membrane resistance.

Erasing no-man’s land by thermodynamically stabilizing the liquid-liquid transition in tetrahedral particles

NASA Astrophysics Data System (ADS)

Smallenburg, Frank; Filion, Laura; Sciortino, Francesco

2014-09-01

One of the most controversial hypotheses for explaining the origin of the thermodynamic anomalies characterizing liquid water postulates the presence of a metastable second-order liquid-liquid critical point located in the `no-man’s land’. In this scenario, two liquids with distinct local structure emerge near the critical temperature. Unfortunately, as spontaneous crystallization is rapid in this region, experimental support for this hypothesis relies on significant extrapolations, either from the metastable liquid or from amorphous solid water. Although the liquid-liquid transition is expected to feature in many tetrahedrally coordinated liquids, including silicon, carbon and silica, even numerical studies of atomic and molecular models have been unable to conclusively prove the existence of this transition. Here we provide such evidence for a model in which it is possible to continuously tune the softness of the interparticle interaction and the flexibility of the bonds, the key ingredients controlling the existence of the critical point. We show that conditions exist where the full coexistence is thermodynamically stable with respect to crystallization. Our work offers a basis for designing colloidal analogues of water exhibiting liquid-liquid transitions in equilibrium, opening the way for experimental confirmation of the original hypothesis.

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.

Total reflection infrared spectroscopy of water-ice and frozen aqueous NaCl solutions

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

Walker, Rachel L.; Searles, Keith; Willard, Jesse A.

2013-12-28

Liquid-like and liquid water at and near the surface of water-ice and frozen aqueous sodium chloride films were observed using attenuated total reflection infrared spectroscopy (ATR-IR). The concentration of NaCl ranged from 0.0001 to 0.01 M and the temperature varied from the melting point of water down to 256 K. The amount of liquid brine at the interface of the frozen films with the germanium ATR crystal increased with salt concentration and temperature. Experimental spectra are compared to reflection spectra calculated for a simplified morphology of a uniform liquid layer between the germanium crystal and the frozen film. This morphologymore » allows for the amount of liquid observed in an experimental spectrum to be converted to the thickness of a homogenous layer with an equivalent amount of liquid. These equivalent thickness ranges from a nanometer for water-ice at 260 K to 170 nm for 0.01 M NaCl close to the melting point. The amounts of brine observed are over an order of magnitude less than the total liquid predicted by equilibrium thermodynamic models, implying that the vast majority of the liquid fraction of frozen solutions may be found in internal inclusions, grain boundaries, and the like. Thus, the amount of liquid and the solutes dissolved in them that are available to react with atmospheric gases on the surfaces of snow and ice are not well described by thermodynamic equilibrium models which assume the liquid phase is located entirely at the surface.« less

Morphological and electromechanical characterization of ionic liquid/Nafion polymer composites

NASA Astrophysics Data System (ADS)

Bennett, Matthew; Leo, Donald

2005-05-01

Ionic liquids have shown promise as replacements for water in ionic polymer transducers. Ionic liquids are non-volatile and have a larger electrochemical stability window than water. Therefore, transducers employing ionic liquids can be operated for long periods of time in air and can be actuated with higher voltages. Furthermore, transducers based on ionic liquids do not exhibit the characteristic back relaxation that is common with water-swollen materials. However, the physics of transduction in the ionic liquid-swollen materials is not well understood. In this paper, the morphology of Nafion/ionic liquid composites is characterized using small-angle X-ray scattering (SAXS). The electromechanical transduction behavior of the composites is also investigated. For this testing, five different counterions and two ionic liquids are used. The results reveal that both the morphology and transduction performance of the composites is affected by the identity of the ionic liquid, the cation, and the swelling level of ionic liquid within the membrane. Specifically, speed of response is found to be lower for the membranes that were exchanged with the smaller lithium and potassium ions. The response speed is also found to increase with increased content of ionic liquid. Furthermore, for the two ionic liquids studied, the actuators swollen with the less viscous ionic liquid exhibited a slower response. The slower speed of response corresponds to less contrast between the ionically conductive phase and the inert phase of the polymer. This suggests that disruption of the clustered morphology in the ionic liquid-swollen membranes as compared to water-swollen membranes attenuates ion mobility within the polymer. This attenuation is attributed to swelling of the non-conductive phase by the ionic liquids.

Tritium release during nuclear power operation in China.

PubMed

Yang, D J; Chen, X Q; Li, B

2012-06-01

Overviews were evaluated of tritium releases and related doses to the public from airborne and liquid effluents from nuclear power plants on the mainland of China before 2009. The differences between tritium releases from various nuclear power plants were also evaluated. The tritium releases are mainly from liquid pathways for pressurised water reactors, but tritium releases between airborne and liquid effluents are comparable for heavy water reactors. The airborne release from a heavy water reactor is obviously higher than that from a pressurised water reactor.

Thermodynamics and dynamics of supercooled water

NASA Astrophysics Data System (ADS)

Stokely, Kevin C.

This thesis utilizes the methods of statistical physics and computer simulation to study the thermodynamic and dynamic behavior of liquid water at supercooled temperatures. The behavior of water deviates from that of a simple liquid in a number of remarkable ways, many of which become more apparent as the liquid is supercooled below its equilibrium freezing temperature. Yet, due to nucleation to the crystalline state, a large region of the phase diagram of the supercooled liquid remains unexplored. We make use of a simple model for liquid water to shed light on the behavior of real water in the experimentally inaccessible region. The model predicts a line of phase transitions in the pressure—temperature plane, between high- and low-density forms of liquid water, ending in a liquid-liquid critical point (LLCP). Such a LLCP provides a thermodynamic origin for one of liquid water's anomalies—the rapid rise, and extrapolated divergence, of thermodynamic response functions upon cooling. We find one such response function, the isobaric specific heat, CP, displays two distinct maxima as a function of temperature T in the supercooled region. One maximum is a consequence of the directional nature of hydrogen (H) bonding among molecules; the other is a consequence of the cooperative nature of H bonding. With pressurization, these two maxima move closer in T, finally coinciding at the LLCP. This suggests that measurement of CP far from any LLCP could provide evidence for the existence of water's LLCP. Recent experiments find that the T-dependence of the characteristic time for H bond rearrangement displays three distinct regimes. Our observed behavior of CP, combined with Adam-Gibbs theory, allows for a thermodynamic interpretation of this feature of water's dynamics. The dynamics of the model are also measured directly by a Monte Carlo procedure, and are found in agreement with experiment. Further, the model allows the directional and cooperative components of the H bond interaction to be varied independently. By varying only these two energy scales, the low-T phase diagram changes dramatically, exhibiting one of several previously proposed thermodynamic scenarios. Our results link each of these scenarios, by recognizing the energetics of the H bond as the underlying physical mechanism responsible for each.

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.

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...

[Toxicity and influencing factors of liquid chlorine on chironomid larvae].

PubMed

Sun, Xing-Bin; Cui, Fu-Yi; Zhang, Jin-Song; Guo, Zhao-Hai; Xu, Feng; Liu, Li-Jun

2005-09-01

The excessive propagation of Chironomid larvae (red worm) in the sedimentation tanks is a difficult problem for the normal function of waterworks. The toxic effect of liquid chlorine on the different instar larvae of Chironomid was studied using distilled water as test sample. Furthermore, the effect of pH value, organic matter content, ammonia nitrogen, and algae content on toxicity of liquid chlorine was observed. The results show that the tolerance of Chironomid larvae to liquid chlorine is strengthened with the increase in instar. The 24h semi-lethal concentration (LC50) of liquid chlorine to the 4th instar larvae of Chironomid is 3.39 mg/L. Low pH value and high algae content are helpful to improve the toxic effect of liquid chlorine to Chironomid larvae. In neutral water body, the increase in organic matter content results in the decrease in the death rate of Chironomid larvae. The toxicity of liquid chlorine differs greatly in different concentrations of ammonia nitrogen. The death rate of the 4th instar larvae of Chironomid in raw water is higher by contrast with that in sedimentation tanks water for 24h disposal with various amount of liquid chlorine.

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.

Thermodynamic and kinetic considerations of nucleation and stabilization of acoustic cavitation bubbles in water.

PubMed

Bapat, Pratap S; Pandit, Aniruddha B

2008-01-01

Qualitative explanation for a homogeneous nucleation of acoustic cavitation bubbles in the incompressible liquid water with simple phenomenological approach has been provided via the concept of the desorbtion of the dissolved gas and the vaporization of local liquid molecules. The liquid medium has been viewed as an ensemble of lattice structures. Validity of the lattice structure approach against the Brownian motion of molecules in the liquid state has been discussed. Criterion based on probability for nucleus formation has been defined for the vaporization of local liquid molecules. Energy need for the enthalpy of vaporization has been considered as an energy criterion for the formation of a vaporous nucleus. Sound energy, thermal energy of the liquid bulk (Joule-Thomson effect) and free energy of activation, which is associated with water molecules in the liquid state (Brownian motion) as per the modified Eyring's kinetic theory of liquid are considered as possible sources for the enthalpy of vaporization of water molecules forming a single unit lattice. The classical nucleation theory has then been considered for expressing further growth of the vaporous nucleus against the surface energy barrier. Effect of liquid property (temperature), and effect of an acoustic parameter (frequency) on an acoustic cavitation threshold pressure have been discussed. Kinetics of nucleation has been considered.

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.

Measurement of the optical and the physical properties of a liquid scintillator containing water at different times and under different environmental conditions

NASA Astrophysics Data System (ADS)

Kim, Seung Chan; Joo, Kyung Kwang; Kim, Ba Ro; Shin, Chang Dong; So, Sun Heang; Yeo, In Sung

2014-10-01

In this paper, we describe the optical and the physical properties of a liquid scintillator (LS) containing water with long-term stability. Gadolinium (Gd) is loaded into the liquid scintillator to increase the intensity of the neutron capture signal. If a successful neutrino experiment is to be performed, the Gd-loaded liquid scintillator (GdLS) must be stable over the entire duration of the experiment. If water is contained inside the GdLS, the optical and the physical parameters of the GdLS may change. We, therefore, briefly describe several characteristics of GdLS samples with various water contents under different environmental conditions. Measurements of the water content, Gd concentration, transmittance, and light yield (LY) were performed over 600 days.

Improved detection of multiple environmental antibiotics through an optimized sample extraction strategy in liquid chromatography-mass spectrometry analysis.

PubMed

Yi, Xinzhu; Bayen, Stéphane; Kelly, Barry C; Li, Xu; Zhou, Zhi

2015-12-01

A solid-phase extraction/liquid chromatography/electrospray ionization/multi-stage mass spectrometry (SPE-LC-ESI-MS/MS) method was optimized in this study for sensitive and simultaneous detection of multiple antibiotics in urban surface waters and soils. Among the seven classes of tested antibiotics, extraction efficiencies of macrolides, lincosamide, chloramphenicol, and polyether antibiotics were significantly improved under optimized sample extraction pH. Instead of only using acidic extraction in many existing studies, the results indicated that antibiotics with low pK a values (<7) were extracted more efficiently under acidic conditions and antibiotics with high pK a values (>7) were extracted more efficiently under neutral conditions. The effects of pH were more obvious on polar compounds than those on non-polar compounds. Optimization of extraction pH resulted in significantly improved sample recovery and better detection limits. Compared with reported values in the literature, the average reduction of minimal detection limits obtained in this study was 87.6% in surface waters (0.06-2.28 ng/L) and 67.1% in soils (0.01-18.16 ng/g dry wt). This method was subsequently applied to detect antibiotics in environmental samples in a heavily populated urban city, and macrolides, sulfonamides, and lincomycin were frequently detected. Antibiotics with highest detected concentrations were sulfamethazine (82.5 ng/L) in surface waters and erythromycin (6.6 ng/g dry wt) in soils. The optimized sample extraction strategy can be used to improve the detection of a variety of antibiotics in environmental surface waters and soils.

Heating- and pressure-induced transformations in amorphous and hexagonal ice: A computer simulation study using the TIP4P/2005 model

NASA Astrophysics Data System (ADS)

Engstler, Justin; Giovambattista, Nicolas

2017-08-01

We characterize the phase behavior of glassy water by performing extensive out-of-equilibrium molecular dynamics simulations using the TIP4P/2005 water model. Specifically, we study (i) the pressure-induced transformations between low-density (LDA) and high-density amorphous ice (HDA), (ii) the pressure-induced amorphization (PIA) of hexagonal ice (Ih), (iii) the heating-induced LDA-to-HDA transformation at high pressures, (iv) the heating-induced HDA-to-LDA transformation at low and negative pressures, (v) the glass transition temperatures of LDA and HDA as a function of pressure, and (vi) the limit of stability of LDA upon isobaric heating and isothermal decompression (at negative pressures). These transformations are studied systematically, over a wide range of temperatures and pressures, allowing us to construct a P-T phase diagram for glassy TIP4P/2005 water. Our results are in qualitative agreement with experimental observations and with the P-T phase diagram obtained for glassy ST2 water that exhibits a liquid-liquid phase transition and critical point. We also discuss the mechanism for PIA of ice Ih and show that this is a two-step process where first, the hydrogen-bond network (HBN) is distorted and then the HBN abruptly collapses. Remarkably, the collapse of the HB in ice Ih occurs when the average molecular orientations order, a measure of the tetrahedrality of the HBN, is of the same order as in LDA, suggesting a common mechanism for the LDA-to-HDA and Ih-to-HDA transformations.

Heating- and pressure-induced transformations in amorphous and hexagonal ice: A computer simulation study using the TIP4P/2005 model.

PubMed

Engstler, Justin; Giovambattista, Nicolas

2017-08-21

We characterize the phase behavior of glassy water by performing extensive out-of-equilibrium molecular dynamics simulations using the TIP4P/2005 water model. Specifically, we study (i) the pressure-induced transformations between low-density (LDA) and high-density amorphous ice (HDA), (ii) the pressure-induced amorphization (PIA) of hexagonal ice (I h ), (iii) the heating-induced LDA-to-HDA transformation at high pressures, (iv) the heating-induced HDA-to-LDA transformation at low and negative pressures, (v) the glass transition temperatures of LDA and HDA as a function of pressure, and (vi) the limit of stability of LDA upon isobaric heating and isothermal decompression (at negative pressures). These transformations are studied systematically, over a wide range of temperatures and pressures, allowing us to construct a P-T phase diagram for glassy TIP4P/2005 water. Our results are in qualitative agreement with experimental observations and with the P-T phase diagram obtained for glassy ST2 water that exhibits a liquid-liquid phase transition and critical point. We also discuss the mechanism for PIA of ice I h and show that this is a two-step process where first, the hydrogen-bond network (HBN) is distorted and then the HBN abruptly collapses. Remarkably, the collapse of the HB in ice I h occurs when the average molecular orientations order, a measure of the tetrahedrality of the HBN, is of the same order as in LDA, suggesting a common mechanism for the LDA-to-HDA and I h -to-HDA transformations.

Determination of drugs in surface water and wastewater samples by liquid chromatography-mass spectrometry: Methods and preliminary results including toxicity studies with Vibrio fischeri

USGS Publications Warehouse

Farre, M.; Ferrer, I.; Ginebreda, A.; Figueras, M.; Olivella, L.; Tirapu, L.; Vilanova, M.; Barcelo, D.

2001-01-01

In the present work a combined analytical method involving toxicity and liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) was developed for the determination of pharmaceutical compounds in water samples. The drugs investigated were the analgesics: ibuprofen, ketoprofen, naproxen, and diclofenac, the decomposition product of the acetyl salicylic acid: salicylic acid and one lipid lowering agent, gemfibrozil. The selected compounds are acidic substances, very polar and all of them are analgesic compounds that can be purchased without medical prescription. The developed protocol consisted, first of all, on the use Microtox?? and ToxAlert??100 toxicity tests with Vibrio fischeri for the different pharmaceutical drugs. The 50% effective concentration (EC50) values and the toxicity units (TU) were determined for every compound using both systems. Sample enrichment of water samples was achieved by solid-phase extraction procedure (SPE), using the Merck LiChrolut?? EN cartridges followed by LC-ESI-MS. Average recoveries loading 1 l of samples with pH=2 varied from 69 to 91% and the detection limits in the range of 15-56 ng/l. The developed method was applied to real samples from wastewater and surface-river waters of Catalonia (north-east of Spain). One batch of samples was analyzed in parallel also by High Resolution Gas Chromatography coupled with Mass Spectrometry (HRGC-MS) and the results have been compared with the LC-ESI-MS method developed in this work. ?? 2001 Elsevier Science B.V. All rights reserved.

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.

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...

Polar pollutants entry into the water cycle by municipal wastewater: a European perspective.

PubMed

Reemtsma, Thorsten; Weiss, Stefan; Mueller, Jutta; Petrovic, Mira; González, Susana; Barcelo, Damia; Ventura, Francesc; Knepper, Thomas P

2006-09-01

The effluents of eight municipal wastewater treatment plants (WWTP) in Western Europe were analyzed by liquid-chromatography-mass spectrometry for the occurrence of 36 polar pollutants, comprising household and industrial chemicals, pharmaceuticals, and personal care products. In a long-term study of the effluents of three WWTP over 10 months, sulfophenyl carboxylates and ethylene diamino tetraacetate (EDTA) were detected above 10 microg/L on average, while benzotriazoles, benzothiazole-2-sulfonate, diclofenac, and carbamazepine showed mean concentrations of 1-10 microg/L, followed by some flame retardants, naphthalene disulfonates, and personal care products in the range of 0.1-1 microg/L. Half of the determined compounds were not significantly removed in tertiary wastewater treatment. By dividing the effluent concentration of a compound by its relative removal in WWTP a water cycle spreading index (WCSI) was calculated for each compound. We propose that this index provides a measure for the potential of a polar compound to spread along a partially closed water cycle after discharge with municipal wastewater and to occur in raw waters used for drinking water production. Polar pollutants in surface water samples of different catchments showed increasing concentration for compounds with increasing WCSI.

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...

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...

Glass-to-cryogenic-liquid transitions in aqueous solutions suggested by crack healing

PubMed Central

Kim, Chae Un; Tate, Mark W.; Gruner, Sol M.

2015-01-01

Observation of theorized glass-to-liquid transitions between low-density amorphous (LDA) and high-density amorphous (HDA) water states had been stymied by rapid crystallization below the homogeneous water nucleation temperature (∼235 K at 0.1 MPa). We report optical and X-ray observations suggestive of glass-to-liquid transitions in these states. Crack healing, indicative of liquid, occurs when LDA ice transforms to cubic ice at 160 K, and when HDA ice transforms to the LDA state at temperatures as low as 120 K. X-ray diffraction study of the HDA to LDA transition clearly shows the characteristics of a first-order transition. Study of the glass-to-liquid transitions in nanoconfined aqueous solutions shows them to be independent of the solute concentrations, suggesting that they represent an intrinsic property of water. These findings support theories that LDA and HDA ice are thermodynamically distinct and that they are continuously connected to two different liquid states of water. PMID:26351671

Comparison between wire mesh sensor and gamma densitometry void measurements in two-phase flows

NASA Astrophysics Data System (ADS)

Sharaf, S.; Da Silva, M.; Hampel, U.; Zippe, C.; Beyer, M.; Azzopardi, B.

2011-10-01

Wire mesh sensors (WMS) are fast imaging instruments that are used for gas-liquid and liquid-liquid two-phase flow measurements and experimental investigations. Experimental tests were conducted at Helmholtz-Zentrum Dresden-Rossendorf to test both the capacitance and conductance WMS against a gamma densitometer (GD). A small gas-liquid test facility was utilized. This consisted of a vertical round pipe approximately 1 m in length, and 50 mm internal diameter. A 16 × 16 WMS was used with high spatial and temporal resolutions. Air-deionized water was the two-phase mixture. The gas superficial velocity was varied between 0.05 m s-1 and 1.4 m s-1 at two liquid velocities of 0.2 and 0.7 m s-1. The GD consisted of a collimated source and a collimated detector. The GD was placed on a moving platform close to the plane of wires of the sensor, in order to align it accurately using a counter mechanism, with each of the wires of the WMS, and the platform could scan the full section of the pipe. The WMS was operated as a conductivity WMS for a half-plane with eight wires and as a capacitance WMS for the other half. For the cross-sectional void (time and space averaged), along each wire, there was good agreement between WMS and the GD chordal void fraction near the centre of the pipe.

Functioning mechanisms of water biosensors of electromagnetic radiation.

PubMed

Gapochka, L D; Gapochka, M G; Korolyov, A F; Roshchin, A V; Sukhorukov, A P; Sysoev, N N; Timoshkin, I V

2000-01-01

The effect of microwaves on liquid water was investigated by using biosensors and physiochemical techniques, such as nuclear magnetic resonance (NMR) and spectrophotometry. The results obtained provided evidence for a nonthermal effect of microwaves on liquid water.

A comparative flow visualization study of thermocapillary flow in drops in liquid-liquid systems

NASA Technical Reports Server (NTRS)

Balasubramaniam, R.; Rashidnia, N.

1991-01-01

Experiments are performed to visualize thermocapillary flow in drops in an immiscible host liquid. The host liquid used is silicone oil. Drops of three different liquids are used, viz, vegetable oil, water-methanol mixture anad pure methanol. Clear evidence of thermocapillary flow is seen in vegetable oil drops. For a mixture of water and methanol (approximately 50-50 by weight), natural convection is seen to dominate the flow outside the drop. Pure methanol drops exhibit thermocapillary flow, but dissolve in silicone oil. A small amount of water added to pure methanol significantly reduces the dissolution. Flow oscillations occur in this system for both isothermal and non-isothermal conditions.

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.

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.

A liquid-liquid transition in supercooled aqueous solution related to the HDA-LDA transition

NASA Astrophysics Data System (ADS)

Woutersen, Sander; Ensing, Bernd; Hilbers, Michiel; Zhao, Zuofeng; Angell, C. Austen

2018-03-01

Simulations and theory suggest that the thermodynamic anomalies of water may be related to a phase transition between two supercooled liquid states, but so far this phase transition has not been observed experimentally because of preemptive ice crystallization. We used calorimetry, infrared spectroscopy, and molecular dynamics simulations to investigate a water-rich hydrazinium trifluoroacetate solution in which the local hydrogen bond structure surrounding a water molecule resembles that in neat water at elevated pressure, but which does not crystallize upon cooling. Instead, this solution underwent a sharp, reversible phase transition between two homogeneous liquid states. The hydrogen-bond structures of these two states are similar to those established for high- and low-density amorphous (HDA and LDA) water. Such structural similarity supports theories that predict a similar sharp transition in pure water under pressure if ice crystallization could be suppressed.

X-ray and simulation studies of water

NASA Astrophysics Data System (ADS)

Nilsson, A.; Schlesinger, D.; G. M. Pettersson, L.

Here we present a picture that combines discussions regarding the thermodynamic anomalies in ambient and supercooled water with recent interpretations of X-ray spectroscopy and scattering data of water. At ambient temperatures most molecules favor a closer packing than tetrahedral, with strongly distorted hydrogen bonds, which allows the quantized librational modes to be excited and contribute to the entropy, but with enthalpically favored tetrahedrally bonded water patches appearing as fluctuations, a competition between entropy and enthalpy. Upon cooling water the amount of molecules participating in tetrahedral structures and the size of the tetrahedral patches increase. The two local structures are connected to the liquid-liquid critical point hypothesis in supercooled water corresponding to high-density liquid (HDL) and low-density liquid (LDL). We demonstrate that the HDL local structure deviates from a tetrahedral coordination not only through a collapse of the 2nd shell but also through severe distortions around the 1st coordination shell.

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.

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.

Freezing of Water in Dormant Vegetative Apple Buds in Relation to Cryopreservation 1

PubMed Central

Tyler, Nancy; Stushnoff, Cecil; Gusta, Larry V.

1988-01-01

Various empirical prefreezing protocols have been used to facilitate cryopreservation of dormant buds from woody plants. The objective of this research was to determine the quantity of water remaining in liquid phase, under different prefreezing conditions using pulsed nuclear magnetic resonance spectroscopy of dormant apple (Malus domestica Mill.) buds from three cultivars. During prefreezing, the quantity of water remaining in the liquid phase was less at −40°C<−30°C<−20°C for all cultivars tested. The prefreezing temperature had a greater influence on reducing the quantity of liquid water than the duration of prefreezing. Prefreezing to −40°C for 24 hours was optimal for `Patterson' and `McIntosh,' the hardiest cultivars, compared to −30°C for 24 hours with `Red Delicious.' Cryopreservation of dormant apple buds depends upon the quantity of liquid water during prefreezing, prior to immersion in liquid nitrogen, and upon the cultivar. PMID:16666103

Lyotropic liquid crystal preconcentrates for the treatment of periodontal disease.

PubMed

Fehér, A; Urbán, E; Eros, I; Szabó-Révész, P; Csányi, E

2008-06-24

The aim of our study was to develop water-free lyotropic liquid crystalline preconcentrates, which consist of oils and surfactants with good physiological tolerance and spontaneously form lyotropic liquid crystalline phase in aqueous environment. In this way these preconcentrates having low viscosity can be injected into the periodontal pocket, where they are transformed into highly viscous liquid crystalline phase, so that the preparation is prevented from flowing out of the pocket due to its great viscosity, while drug release is controlled by the liquid crystalline texture. In order to follow the structure alteration upon water absorption polarization microscopical and rheological examinations were performed. The water absorption mechanism of the samples was examined by the Enslin-method. Metronidazole-benzoate was used as active agent the release of which was characterized via in vitro investigations performed by means of modified Kirby-Bauer disk diffusion method. On the grounds of the results it can be stated that the 4:1 mixture of the investigated surfactants (Cremophor EL, Cremophor RH40) and oil (Miglyol 810) formed lyotopic liquid crystalline phases upon water addition. Polarization microscopic examinations showed that samples with 10-40% water content possessed anisotropic properties. On the basis of water absorption, rheological and drug release studies it can be concluded that the amount of absorbed water and stiffness of lyotropic structure influenced by the chemical entity of the surfactant exerted major effect on the drug release.

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.

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.

Microdosimetry of low-energy electrons.

PubMed

Liamsuwan, Thiansin; Emfietzoglou, Dimitris; Uehara, Shuzo; Nikjoo, Hooshang

2012-12-01

To investigate differences in energy depositions and microdosimetric parameters of low-energy electrons in liquid and gaseous water using Monte Carlo track structure simulations. KURBUC-liq (Kyushu University and Radiobiology Unit Code for liquid water) was used for simulating electron tracks in liquid water. The inelastic scattering cross sections of liquid water were obtained from the dielectric response model of Emfietzoglou et al. (Radiation Research 2005;164:202-211). Frequencies of energy deposited in nanometre-size cylindrical targets per unit absorbed dose and associated lineal energies were calculated for 100-5000 eV monoenergetic electrons and the electron spectrum of carbon K edge X-rays. The results for liquid water were compared with those for water vapour. Regardless of electron energy, there is a limit how much energy electron tracks can deposit in a target. Phase effects on the frequencies of energy depositions are largely visible for the targets with diameters and heights smaller than 30 nm. For the target of 2.3 nm by 2.3 nm (similar to dimension of DNA segments), the calculated frequency- and dose-mean lineal energies for liquid water are up to 40% smaller than those for water vapour. The corresponding difference is less than 12% for the targets with diameters ≥ 30 nm. Condensed-phase effects are non-negligible for microdosimetry of low-energy electrons for targets with sizes smaller than a few tens of nanometres, similar to dimensions of DNA molecular structures and nucleosomes.

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 water including the existence of a LLCP.

Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions.

PubMed

Biddle, John W; Singh, Rakesh S; Sparano, Evan M; Ricci, Francesco; González, Miguel A; Valeriani, Chantal; Abascal, José L F; Debenedetti, Pablo G; Anisimov, Mikhail A; Caupin, Frédéric

2017-01-21

One of the most promising frameworks for understanding the anomalies of cold and supercooled water postulates the existence of two competing, interconvertible local structures. If the non-ideality in the Gibbs energy of mixing overcomes the ideal entropy of mixing of these two structures, a liquid-liquid phase transition, terminated at a liquid-liquid critical point, is predicted. Various versions of the "two-structure equation of state" (TSEOS) based on this concept have shown remarkable agreement with both experimental data for metastable, deeply supercooled water and simulations of molecular water models. However, existing TSEOSs were not designed to describe the negative pressure region and do not account for the stability limit of the liquid state with respect to the vapor. While experimental data on supercooled water at negative pressures may shed additional light on the source of the anomalies of water, such data are very limited. To fill this gap, we have analyzed simulation results for TIP4P/2005, one of the most accurate classical water models available. We have used recently published simulation data, and performed additional simulations, over a broad range of positive and negative pressures, from ambient temperature to deeply supercooled conditions. We show that, by explicitly incorporating the liquid-vapor spinodal into a TSEOS, we are able to match the simulation data for TIP4P/2005 with remarkable accuracy. In particular, this equation of state quantitatively reproduces the lines of extrema in density, isothermal compressibility, and isobaric heat capacity. Contrary to an explanation of the thermodynamic anomalies of water based on a "retracing spinodal," the liquid-vapor spinodal in the present TSEOS continues monotonically to lower pressures upon cooling, influencing but not giving rise to density extrema and other thermodynamic anomalies.

Wetting and elasto-plasticity based sculpture of liquid marbles.

PubMed

Liu, Jianlin; Zuo, Pingcheng

2016-02-01

As an emerging material with exotic properties, liquid marble holds great potential for such areas as microfluidics, stimuli-responsive sensors, micro-chemical reactors, micro-bioreactors, energy harvesting devices, and mechanical structures. In this study, we mainly concentrate on the mechanical behaviors, such as elasto-plasticity of liquid marble with the decrease of liquid volume. The contact radius with the substrate and Young's contact angle of liquid marble are both measured with the change of water volume, and those of a water droplet are compared. The mechanism for the different responses for liquid marble and water droplet is clarified according to the mechanics analysis. Moreover, it is found that liquid marble can behave like an elasto-plastic material when the particle surface density is big enough. Based upon this fact, liquid marble can be sculpted to all kinds of special shapes as expected. These investigations may cast new light on how to engineer multifunctional materials and devices, which are beneficial to microprinting and micromachining.

Hot and cold water as a supercritical solvent

NASA Astrophysics Data System (ADS)

Fuentevilla, Daphne Anne

This dissertation addresses the anomalous properties of water at high temperatures near the vapor-liquid critical point and at low temperatures in the supercooled liquid region. The first part of the dissertation is concerned with the concentration dependence of the critical temperature, density, and pressure of an aqueous sodium chloride solution. Because of the practical importance of an accurate knowledge of critical parameters for industrial, geochemical, and biological applications, an empirical equation for the critical locus of aqueous sodium chloride solutions was adopted in 1999 by the International Association for the Properties of Water and Steam (IAPWS) as a guideline. However, since this original Guideline on the Critical Locus of Aqueous Solutions of Sodium Chloride was developed, two new theoretical developments occurred, motivating the first part of this dissertation. Here, I present a theory-based formulation for the critical parameters of aqueous sodium chloride solutions as a proposed replacement for the empirical formulation currently in use. This formulation has been published in the International Journal of Thermophysics and recommended by the Executive Committee of IAPWS for adoption as a Revised Guideline on the Critical Locus of Aqueous Solutions of Sodium Chloride. The second part of the dissertation addresses a new concept, considering cold water as a supercritical solvent. Based on the idea of a second, liquid-liquid, critical point in supercooled water, we explore the possibility of supercooled water as a novel supercooled solvent through the thermodynamics of critical phenomena. In 2006, I published a Physical Review letter presenting a parametric scaled equation of state for supercooled-water. Further developments based on this work led to a phenomenological mean-field "two-state" model, clarifying the nature of the phase separation in a polyamorphic single-component liquid. In this dissertation, I modify this two-state model to incorporate solutes. Critical lines emanating from the pure-water critical point show how even small additions of solute may significantly affect the thermodynamic properties and phase behavior of supercooled aqueous solutions. Some solutes, such as glycerol, can prevent spontaneous crystallization, thus making liquid-liquid separation in supercooled water experimentally accessible. This work will help in resolving the question on liquid polyamorphism in supercooled water.

The dynamic crossover in water does not require bulk water.

PubMed

Turton, David A; Corsaro, Carmelo; Martin, David F; Mallamace, Francesco; Wynne, Klaas

2012-06-14

Many of the anomalous properties of water may be explained by invoking a second critical point that terminates the coexistence line between the low- and high-density amorphous states in the liquid. Direct experimental evidence of this point, and the associated polyamorphic liquid-liquid transition, is elusive as it is necessary for liquid water to be cooled below its homogeneous-nucleation temperature. To avoid crystallization, water in the eutectic LiCl solution has been studied but then it is generally considered that "bulk" water cannot be present. However, recent computational and experimental studies observe cooperative hydration in which case it is possible that sufficient hydrogen-bonded water is present for the essential characteristics of water to be preserved. For femtosecond optical Kerr-effect and nuclear magnetic resonance measurements, we observe in each case a fractional Stokes-Einstein relation with evidence of the dynamic crossover appearing near 220 K and 250 K respectively. Spectra obtained in the glass state also confirm the complex nature of the hydrogen-bonding modes reported for neat room-temperature water and support predictions of anomalous diffusion due to "worm-hole" structure.

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.