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Sample records for irradiated liquid water

  1. IMPACT OF AEROSOL LIQUID WATER ON SECONDARY ORGANIC AEROSOL YIELDS OF IRRADIATED TOLUENE/PROPYLENE/NOX/(NH4)2SO4/AIR MIXUTRES

    EPA Science Inventory

    Laboratory experiments were conducted to assess whether the presence of liquid water on pre-existing submicron ammonium sulfate aerosols affects yields of condensible organic compounds. Toluene/propylene/NOX/air mixtures were irradiated in the presence of submicron ammonium su...

  2. Simultaneous retrievals of cloud optical depth and droplet concentration from solar irradiance and microwave liquid water path

    NASA Astrophysics Data System (ADS)

    Boers, Reinout

    1997-12-01

    A 20-month time series of continuous observations of microwave radiation and solar irradiance was used to estimate the cloud optical depth and droplet number concentration at the Cape Grim Baseline Air Pollution Station, Tasmania, (40°41'S, 144°41'E). The data were selected by wind directions. When the air was from "baseline" origin, i.e., it had travelled over long oceanic distances and was mostly devoid of anthropogenic influences, the retrieved droplet concentration and optical depth were lower than when the air was from "nonbaseline" i.e., continental origin. Therefore the observed variation in cloud microphysical properties reflects the difference between the natural background conditions over the Southern Ocean and continental conditions with elevated droplet counts. Under baseline conditions the retrieved cloud optical depth exhibits a weak but perceptible seasonal cycle that has been previously observed from satellite data with a minimum in the austral winter, and a maximum in the austral summer. The results demonstrate that routine retrievals of cloud microphysical properties are possible using only a pyranometer and a microwave liquid water radiometer.

  3. Water: The Strangest Liquid

    SciTech Connect

    Nilsson, Anders

    2009-02-24

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

  4. Photoresponsive liquid marbles and dry water.

    PubMed

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

    2014-04-01

    Stimuli-responsive liquid marbles for controlled release typically rely on organic moieties that require lengthy syntheses. We report herein a facile, one-step synthesis of hydrophobic and oleophobic TiO2 nanoparticles that display photoresponsive wettability. Water liquid marbles stabilized by these photoresponsive TiO2 particles were found to be stable when shielded from ultraviolet (UV) radiation; however, they quickly collapsed after being irradiated with 302 nm UV light. Oil- and organic-solvent-based liquid marbles could also be fabricated using oleophobic TiO2 nanoparticles and show similar UV-induced collapse. Finally, we demonstrated the formation of the micronized form of water liquid marbles, also known as dry water, by homogenization of the TiO2 nanoparticles with water. The TiO2 dry water displayed a similar photoresponse, whereby the micronized liquid marbles collapsed after irradiation and the dry water turned from a free-flowing powder to a paste. Hence, by exploiting the photoresponsive wettability of TiO2, we fabricated liquid marbles and dry water that display photoresponse and studied the conditions required for their collapse. PMID:24617527

  5. Laser ablation of liquid surface in air induced by laser irradiation through liquid medium

    NASA Astrophysics Data System (ADS)

    Utsunomiya, Yuji; Kajiwara, Takashi; Nishiyama, Takashi; Nagayama, Kunihito; Kubota, Shiro; Nakahara, Motonao

    2010-10-01

    The pulse laser ablation of a liquid surface in air when induced by laser irradiation through a liquid medium has been experimentally investigated. A supersonic liquid jet is observed at the liquid-air interface. The liquid surface layer is driven by a plasma plume that is produced by laser ablation at the layer, resulting in a liquid jet. This phenomenon occurs only when an Nd:YAG laser pulse (wavelength: 1064 nm) is focused from the liquid onto air at a low fluence of 20 J/cm2. In this case, as Fresnel’s law shows, the incident and reflected electric fields near the liquid surface layer are superposed constructively. In contrast, when the incident laser is focused from air onto the liquid, a liquid jet is produced only at an extremely high fluence, several times larger than that in the former case. The similarities and differences in the liquid jets and atomization processes are studied for several liquid samples, including water, ethanol, and vacuum oil. The laser ablation of the liquid surface is found to depend on the incident laser energy and laser fluence. A pulse laser light source and high-resolution film are required to observe the detailed structure of a liquid jet.

  6. Supercooled liquid water Estimation Tool

    Energy Science and Technology Software Center (ESTSC)

    2012-05-04

    The Cloud Supercooled liquid water Estimation Tool (SEET) is a user driven Graphical User Interface (GUI) that estimates cloud supercooled liquid water (SLW) content in terms of vertical column and total mass from Moderate resolution Imaging Supercooled liquid water Estimation Tool Spectroradiometer (MODIS) spatially derived cloud products and realistic vertical cloud parameterizations that are user defined. It also contains functions for post-processing of the resulting data in tabular and graphical form.

  7. EXPEDITIOUS SYNTHESIS OF IONIC LIQUIDS USING ULTRASOUND AND MICROWAVE IRRADIATION

    EPA Science Inventory

    Environmentally friendlier preparations of ionic liquids have been developed that proceed expeditiously under the influence of microwave or ultrasound irradiation conditions using neat reactants, alkylimidazoles and alkyl halides. A number of useful ionic liquids have been prepar...

  8. Liquid-xenon detector under the intensive pulse irradiation conditions

    NASA Astrophysics Data System (ADS)

    Kirsanov, M. A.

    2016-02-01

    The effect of intense pulsed irradiation on the operation of the liquid xenon spectrometer was studied. The ionization chamber filled with liquid xenon was irradiated by bremsstrahlung pulses of the microtron. The pulse repetition rate was 400 Hz. The absorbed dose ranged from 10-7 to 0.1 Gy per pulse. Stable operation of the liquid xenon spectrometer in the intervals between the pulses of the accelerator was shown for a long time.

  9. Static heterogeneities in liquid water

    NASA Astrophysics Data System (ADS)

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

    2004-10-01

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

  10. Spontaneous liquid-liquid phase separation of water.

    PubMed

    Yagasaki, Takuma; Matsumoto, Masakazu; Tanaka, Hideki

    2014-02-01

    We report a molecular dynamics simulation demonstrating a fast spontaneous liquid-liquid phase separation of water and a subsequent slow crystallization to ice. It is found that supercooled water separates rapidly into low- and high-density domains so as to reduce the surface energy in the rectangular simulation cell at certain thermodynamic states. The liquid-liquid phase separation, which is about two orders of magnitude faster than the crystallization, suggests a possibility to observe this phenomenon experimentally. PMID:25353404

  11. Comparison of chromatographic band profiles obtained under microwave irradiated and non-irradiated reversed-phase liquid chromatography column

    SciTech Connect

    Galinada, Wilmer; Guiochon, Georges A

    2005-08-01

    The possible influence of the application of microwave energy to a reversed-phase liquid chromatography column on the mass transfer kinetics and the thermodynamics of equilibrium between mobile and stationary phases was examined. Chromatograms of propylbenzene and phenol were recorded under the same experimental conditions, on the same column, successively irradiated and not. The effect of microwave irradiation on the mass transfer kinetics was determined by measuring the second moment of small pulses of propylbenzene in a 70:30 (v/v) solution of methanol in water and microwave outputs of 15 and 30 W. The effect of microwave irradiation on the equilibrium thermodynamics was determined by measuring the elution time of breakthrough curves of phenol at high concentrations in a 20:80 (v/v) solution of methanol and water and microwave outputs of 15, 50, and 150 W. A qualitative comparison of the profiles of the propylbenzene peaks obtained with and without irradiation suggests that this irradiation affects significantly the peak shapes. However, a qualitative comparison of the profiles of the breakthrough curves of phenol obtained with and without irradiation suggests that this irradiation has no significant effect on their shapes. The peak sharpening observed may be due to an increase in the diffusivity, resulting from the dielectric polarization under microwave irradiation. This effect is directly related to an increase of the rate of mass transfers in the column. In contrast, the similarity of the overloaded band profiles at high concentrations suggests that the equilibrium thermodynamics is unaffected by microwave irradiation. This may be explained by the transparence of the stationary phase to microwaves at 2.45 GHz. The column temperature was measured at the column outlet under irradiation powers of 15, 30, 50, and 150 W. It increases with increasing power, the corresponding effluent temperatures being 25 {+-} 1, 30 {+-} 1, 35 {+-} 1, and 45 {+-} 1 C, respectively.

  12. Inhomogeneities of stratocumulus liquid water

    NASA Technical Reports Server (NTRS)

    Cahalan, Robert F.; Snider, Jack B.

    1990-01-01

    There is a growing body of observational evidence on inhomogeneous cloud structure, most recently from the extensive measurements of the FIRE field program. Knowledge of cloud structure is important because it strongly influences the cloud radiative properties, one of the major factors in determining the global energy balance. Current atmospheric circulation models use plane-parallel radiation, so that the liquid water in each gridbox is assumed to be uniform, which gives an unrealistically large albedo. In reality cloud liquid water occupies only a subset of each gridbox, greatly reducing the mean albedo. If future climate models are to treat the hydrological cycle in a manner consistent with energy balance, a better treatment of cloud liquid is needed. FIRE concentrated upon two cloud types of special interest: cirrus and marine stratocumulus. Cirrus tend to be high and optically thin, thus reducing the effective radiative temperature without increasing the albedo significantly, leading to an enhanced greenhouse heating. In contrast, marine stratocumulus are low and optically thick, thus producing a large increase in reflected radiation with a small change in emitted radiation, giving a net cooling which could potentially mitigate the expected greenhouse warming. The FIRE measurements in California stratocumulus during June and July of 1987 show variations in cloud liquid water on all scales. Such variations are associated with inhomogeneous entrainment, in which entrained dry air, rather than mixing uniformly with cloudy air, remains intact in blobs of all sizes, which decay only slowly by invasion of cloudy air. Two important stratocumulus observations are described, followed by a simple fractal model which reproduces these properties, and finally, the model radiative properties are discussed.

  13. Liquid egg white pasteurization using a centrifugal UV irradiator

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Studies are lacking on UV nonthermal pasteurization of liquid egg white (LEW). The objective of this study was to inactivate Escherichia coli using a UV irradiator that centrifugally formed a thin film of LEW on the inside of a rotating cylinder. The LEW was inoculated with E. coli K12 to approximat...

  14. Geomorphologic evidence for liquid water

    USGS Publications Warehouse

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

    2001-01-01

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

  15. Density Fluctuations in Liquid Water

    NASA Astrophysics Data System (ADS)

    English, Niall J.; Tse, John S.

    2011-01-01

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

  16. Liquid Water on Early Mars

    NASA Technical Reports Server (NTRS)

    Davis, Wanda L.; McKay, Christopher P.

    1994-01-01

    We have used a simple climate model to determine the duration of liquid water habitats on early Mars following up on the previous work of McKay and Davis. We used the weathering model of Pollack et al. to compute the pressure and temperature evolution of the atmosphere. We included the variability of the solar luminosity. Recent results which have considered the influence of CO2 condensation suggest that Mars could not have been kept warm (above 0 C) with only a dense CO2 atmosphere. New stellar evolution theories have suggested a more massive early sun to explain the lithium depletion in the sun and predict a warmer climate for early Mars. We have therefore modified the model of McKay and Davis to include the effects of CO2 condensation and the effect of a more massive early sun. Here we present the results of these additional effects on the duration of liquid water habitats on early Mars. We find that the increased luminosity suggested for the early sun when mass loss is taken into account can provide a climate on early Mars that results in fluvial features existing over 500 million years.

  17. ESR detection procedure of irradiated papaya containing high water content

    NASA Astrophysics Data System (ADS)

    Kikuchi, Masahiro; Shimoyama, Yuhei; Ukai, Mitsuko; Kobayashi, Yasuhiko

    2011-05-01

    ESR signals were recorded from irradiated papaya at liquid nitrogen temperature (77 K), and freeze-dried irradiated papaya at room temperature (295 K). Two side peaks from the flesh at the liquid nitrogen temperature indicated a linear dose response for 3-14 days after the γ-irradiation. The line shapes recorded from the freeze-dried specimens were sharper than those at liquid nitrogen temperature.

  18. WATER COLUMN DATA AND SPECTRAL IRRADIANCE MODEL

    EPA Science Inventory

    Water samples collected monthly, for 18 months, from six sites in the Laguna Madre were analyzed to identify and quantify phytopigments using High Performance Liquid Chromatography (HPLC). In addition, water column pigment and nutrient data were acquired at 12 stations in Upper ...

  19. Raman lidar observations of cloud liquid water.

    PubMed

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

    2004-12-10

    We report the design and the performances of a Raman lidar for long-term monitoring of tropospheric aerosol backscattering and extinction coefficients, water vapor mixing ratio, and cloud liquid water. We focus on the system's capabilities of detecting Raman backscattering from cloud liquid water. After describing the system components, along with the current limitations and options for improvement, we report examples of observations in the case of low-level cumulus clouds. The measurements of the cloud liquid water content, as well as the estimations of the cloud droplet effective radii and number densities, obtained by combining the extinction coefficient and cloud water content within the clouds, are critically discussed. PMID:15617280

  20. Dipolar correlations in liquid water

    SciTech Connect

    Zhang, Cui; Galli, Giulia

    2014-08-28

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

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

    DOE PAGESBeta

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

    2015-10-19

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

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

    SciTech Connect

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

    2015-10-19

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

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

    PubMed

    Limmer, David T; Chandler, David

    2015-01-01

    Yagasaki et al. [Phys. Rev. E 89, 020301 (2014)] present results from a molecular dynamics trajectory illustrating coarsening of ice, which they interpret as evidence of transient coexistence between two distinct supercooled phases of liquid water. We point out that neither two distinct liquids nor criticality are demonstrated in this simulation study. Instead, the illustrated trajectory is consistent with coarsening behaviors analyzed and predicted in earlier work by others. PMID:25679744

  4. Evidence for Liquid Water on Comets

    NASA Technical Reports Server (NTRS)

    Sheldon, Robert; Hoover, Richard

    2005-01-01

    We have reexamined the arguments for the existence of liquid water on comets, and believe that recent cometary flybys along with pre-Giotto data support its presence on short-period comets. Liquid water would affect cometary dynamics, leaving distinct signatures in precession, orbital dynamics, and potential splitting of comets. Liquid water geysers would affect cometary atmosphere, dust evolution, and non-gravitational forces that perturb the orbit. Liquid water would affect the composition of both the interior and exterior of the comet, producing geologic effects consistent with recent flyby photographs. And most importantly, liquid water suppork the growth of lifeforms, which would make a comet a biofriendly incubator for interplanetary transport. The major objection against liquid water is the necessity of a pressure vessel to prevent sublimation into space. We discuss how such a pressure vessel could naturally evolve as a pristine comet makes its first journey inside the orbit of Mars, and suggest that this type of vessel was observed by Giotto, Deep Space I, and Stardust.

  5. Are There Two Forms of Liquid Water?

    NASA Astrophysics Data System (ADS)

    Stanley, H. E.

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

  6. Radiation-induced intermediates in irradiated glassy ionic liquids at low temperature

    NASA Astrophysics Data System (ADS)

    Saenko, Elizaveta V.; Lukianova, Mariia A.; Shiryaeva, Ekaterina S.; Takahashi, Kenji; Feldman, Vladimir I.

    2016-07-01

    The primary radiation-induced processes in irradiated low-temperature pyrrolidinium- and piperidinium-type ionic liquids were investigated by EPR and optical absorption spectroscopy. A narrow singlet signal in the EPR spectra of irradiated ionic liquids was attributed to the physically stabilized electron. Broad absorption band in visible region was ascribed to "hole" species. Aromatic scavengers react with "hole" species in glassy irradiated ionic liquids at 77 K.

  7. Monte Carlo simulation of electron dynamics in liquid water

    NASA Astrophysics Data System (ADS)

    Huthmacher, Klaus; Herzwurm, André; Gnewuch, Michael; Ritter, Klaus; Rethfeld, Baerbel

    2015-07-01

    We present a stochastic model for the energy loss of low-energy electrons (<100 eV) in water in the liquid phase. More precisely, we treat the electrons as independent particles and are thus able to model the time evolution of the kinetic energy of a single electron as a so-called pure jump process. Free electrons are created due to irradiation of an extreme ultraviolet femtosecond laser pulse. In our model, free electrons may interact with water molecules via elastic scattering and impact ionization. Moreover, we present numerical results for the kinetic energy of electrons during and after laser irradiation. Furthermore, we distinguish between primary and secondary electrons, where the latter are created by impact ionization. The numerical results show that creation of secondary electrons due to impact ionization occurs almost entirely during laser irradiation. After irradiation, only a small amount of the laser pulse energy remains in the electron system, while the majority is stored in holes of water molecules.

  8. Properties of Water Confined in Ionic Liquids

    PubMed Central

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

    2015-01-01

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

  9. Liquid chromatographic determination of water

    DOEpatents

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

    1990-11-13

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

  10. Liquid chromatographic determination of water

    DOEpatents

    Fortier, Nancy E.; Fritz, James S.

    1990-11-13

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

  11. Liquid Water Oceans in Ice Giants

    NASA Technical Reports Server (NTRS)

    Wiktorowicz, Sloane J.; Ingersoll, Andrew P.

    2007-01-01

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

  12. Water Contaminant Mitigation in Ionic Liquid Propellant

    NASA Technical Reports Server (NTRS)

    Conroy, David; Ziemer, John

    2009-01-01

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

  13. Water: A Tale of Two Liquids.

    PubMed

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

    2016-07-13

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

  14. Water is a molecular liquid.

    PubMed

    Newman, Timothy

    2014-06-01

    Science and society are failing to grapple with the public health burden of cancer. In this short perspective piece, I contrast reductionism and complexity in cancer research, using water as a simple example, arguing for more 'ecological' approaches to cancer. This is a call to arms to physical scientists, ecologists and others to get involved, to link up with cancer clinicians and cancer biologists, and an appeal to funding agencies to link up across disciplines to make a difference. PMID:24732704

  15. Water is a molecular liquid

    NASA Astrophysics Data System (ADS)

    Newman, Timothy

    2014-06-01

    Science and society are failing to grapple with the public health burden of cancer. In this short perspective piece, I contrast reductionism and complexity in cancer research, using water as a simple example, arguing for more ‘ecological’ approaches to cancer. This is a call to arms to physical scientists, ecologists and others to get involved, to link up with cancer clinicians and cancer biologists, and an appeal to funding agencies to link up across disciplines to make a difference. This perspective is dedicated to the memory of Dr Kenneth Mossman (1946-2014).

  16. Effects of irradiation distance on supply of reactive oxygen species to the bottom of a Petri dish filled with liquid by an atmospheric O2/He plasma jet

    NASA Astrophysics Data System (ADS)

    Kawasaki, Toshiyuki; Kusumegi, Shota; Kudo, Akihiro; Sakanoshita, Tomohiro; Tsurumaru, Takuya; Sato, Akihiro; Uchida, Giichiro; Koga, Kazunori; Shiratani, Masaharu

    2016-05-01

    The impact of irradiation distances on plasma jet-induced specific effects on the supply of reactive oxygen species (ROS) to the bottom of a Petri dish filled with liquid was investigated using a KI-starch gel reagent that can be employed as a ROS indicator even in water. O3 exposure experiments without plasma irradiation were also performed to elucidate the specific effects of the plasma jet. Relative concentrations of ROS transported to the bottom were evaluated using absorbance measurements. The results indicated that ROS supply to the bottom is markedly enhanced by the plasma jet irradiation at shorter irradiation distances, whereas similar results could not be obtained for the O3 exposure. In these cases, the liquid mixing in the depth direction was also enhanced by the plasma jet irradiation only, and the supply of reactive atomic oxygen to the liquid surface was markedly increased as well.

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

    NASA Astrophysics Data System (ADS)

    Lascaris, Erik

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

  18. Theory of water and charged liquid bridges.

    PubMed

    Morawetz, K

    2012-08-01

    The phenomenon of liquid bridge formation due to an applied electric field is investigated. A solution of a charged catenary is presented, which allows one to determine the static and dynamical stability conditions where charged liquid bridges are possible. The creeping height, the bridge radius and length, as well as the shape of the bridge are calculated showing an asymmetric profile, in agreement with observations. The flow profile is calculated from the Navier-Stokes equation leading to a mean velocity, which combines charge transport with neutral mass flow and which describes recent experiments on water bridges. PMID:23005849

  19. The Dipole Polarizability of a Water Molecule in Liquid Water

    NASA Astrophysics Data System (ADS)

    Distasio, Robert; Maitra, Rahul

    The dipole polarizability, α, provides a measure of the tendency of a molecule or material to deform (or polarize) in the presence of an electric field. Within the framework of density functional theory (DFT), we present a hierarchy of first principles based approaches for computing α of a molecule located in the condensed phase. This hierarchy includes a successive treatment of both short-range (hybridization, Pauli exchange-repulsion, etc.) and long-range (Coulomb) electrodynamical response screening in the computation of α, while simultaneously accounting for the surrounding condensed-phase environment. Utilizing highly accurate liquid water configurations generated from van der Waals inclusive hybrid DFT based ab initio molecular dynamics, we computed α for a given water molecule in liquid water as a first application of this approach. Our findings will be compared and contrasted with α computed for an isolated gas-phase water molecule.

  20. Liquid Hot Water Pretreatment of Cellulosic Biomass

    NASA Astrophysics Data System (ADS)

    Kim, Youngmi; Hendrickson, Rick; Mosier, Nathan S.; Ladisch, Michael R.

    Lignocellulosic biomass is an abundant and renewable resource for fuel ethanol production. However, the lignocellulose is recalcitrant to enzymatic hydrolysis because of its structural complexity. Controlled-pH liquid hot water (LHW) pretreatment of cellulosic feedstock improves its enzymatic digestibility by removing hemicellulose and making the cellulose more accessible to cellulase enzymes. The removed hemicellulose is solubilized in the liquid phase of the pretreated feedstock as oligosaccharides. Formation of monomeric sugars during the LHW pretreatment is minimal. The LHW pretreatment is carried out by cooking the feedstock in process water at temperatures between 160 and 190°C and at a pH of 4-7. No additional chemicals are needed. This chapter presents the detailed procedure of the LHW pretreatment of lignocellulosic biomass.

  1. Hydrogen-bond kinetics in liquid water

    NASA Astrophysics Data System (ADS)

    Luzar, Alenka; Chandler, David

    1996-01-01

    HYDROGEN bonds play a crucial role in the behaviour of water1-4 their spatial patterns and fluctuations characterize the structure and dynamics of the liquid5-7. The processes of breaking and making hydrogen bonds in the condensed phase can be probed indirectly by a variety of experimental techniques8, and more quantitative information can be obtained from computer simulations9. In particular, simulations have revealed that on long timescales the relaxation behaviour of hydrogen bonds in liquid water exhibit non-exponential kinetics7,10-13, suggesting that bond making and breaking are not simple processes characterized by well defined rate constants. Here we show that these kinetics can be understood in terms of an interplay between diffusion and hydrogen-bond dynamics. In our model, which can be extended to other hydrogen-bonded liquids, diffusion governs whether a specific pair of water molecules are near neighbours, and hydrogen bonds between such pairs form and persist at random with average lifetimes determined by rate constants for bond making and breaking.

  2. Liquid water habitats on early Mars

    NASA Technical Reports Server (NTRS)

    Mckay, Christopher P.; Davis, Wanda L.

    1992-01-01

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

  3. Liquid water and active resurfacing on Europa

    NASA Technical Reports Server (NTRS)

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

    1983-01-01

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

  4. Development of an Ion Beam Irradiation System for Liquid Crystal Alignment Layer Production

    SciTech Connect

    Matsumoto, Takeshi; Kinoshita, Yuko; Tanii, Masahiro; Tatemichi, Junichi; Konishi, Masashi; Naito, Masao

    2008-11-03

    Ion beam irradiation was employed to produce alignment layers for liquid crystal (LC) displays. The alignment characteristics were compared with those by the conventional rubbing method. Ion incident angle to the films played an important role in LC sample optical qualities. A new ion irradiation method to realize a multi-domain structure for a wide viewing angle was demonstrated.

  5. Water in Room Temperature Ionic Liquids

    NASA Astrophysics Data System (ADS)

    Fayer, Michael

    2014-03-01

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

  6. Triplet correlation functions in liquid water

    NASA Astrophysics Data System (ADS)

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

    2014-11-01

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

  7. Triplet correlation functions in liquid water

    SciTech Connect

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

    2014-11-07

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

  8. 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

  9. 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

  10. The design of an irradiator for the continuous processing of liquid latex

    NASA Astrophysics Data System (ADS)

    Reuter, O.; Langley, R.; Zn, Wan Manshol Bin W.

    1998-06-01

    This paper presents anew design concept for a gamma irradiation plant for the continuous processing of pumpable liquids. Typical applications of such a plant include ∗ the irradiation vulcanisation of natural latex rubber ∗ disinfection of municipal sewage sludge for agricultural use ∗ sterilisation of liquids in the pharmaceutical and cosmetics industries ∗ industrial processing of bulk liquids The authors describe the design and operation of the latex irradiator now operating on a small production scale in Malaysia and proposed developments. The design allows irradiation processing to be carried out under an inert or other gaseous environment. State-of-the-art computer control system ensures the fully automatic processing operation needed by industrial computers.

  11. Liquid-liquid transition in ST2 water

    NASA Astrophysics Data System (ADS)

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

    2012-12-01

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

  12. Polarized View of Supercooled Liquid Water Clouds

    NASA Technical Reports Server (NTRS)

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

    2016-01-01

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

  13. Platinum nanostructures formed by femtosecond laser irradiation in water

    SciTech Connect

    Huo Haibin; Shen Mengyan

    2012-11-15

    Platinum nanostructures with various morphologies, such as spike-like, ripple-like and array-like structures, have been fabricated by 400 nm and 800 nm femtosecond laser irradiation in water. Different structures can be formed on the surfaces as a function of the laser wavelength, the fluence and scan methods. The reflectance measurements of these structures show much larger absorption on the irradiated surfaces than untreated platinum surfaces.

  14. Liquid-liquid and liquid-solid equilibria of systems containing water and selected chlorophenols

    SciTech Connect

    Jaoui, M.; Luszczyk, M.; Rogalski, M.

    1999-12-01

    Chlorinated phenols are present in effluents of oil refinery, coal mining, plastic, leather, paint, and pharmaceutical industrial plants. The solubilities of phenol, 4-chlorophenol, 2,4-dichlorophenol, 2,4,6-trichlorophenol, and pentachlorophenol in water were determined in the temperature range between 270 K and 423 K. Dynamic thermal analysis and a visual static method were used to establish the phase diagrams. Results obtained over a wide temperature and concentration range were used to model the liquid-liquid coexistence curve of the systems studied.

  15. Evidence for Recent Liquid Water on Mars

    NASA Technical Reports Server (NTRS)

    2000-01-01

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

  16. Displacement of nonwetting liquids from unsaturated sands by water infiltration

    SciTech Connect

    Boley, T.M.; Overcamp, T.J.

    1998-09-01

    Accidental spills of nonwetting or nonaqueous phase liquids (NAPLs) onto land can lead to ground water contamination. Once a spill has occurred, liquid infiltrates downward under the influence of gravity. As the infiltration continues, capillary forces retain a portion of the immiscible liquid within the pore spaces. After infiltration ceases, the liquid remaining within the pores is termed the residual liquid, which is frequently expressed as a percentage of the total pore volume. The quantity of residual liquid retained depends on soil and liquid properties. Xylene was spilled onto moist glass beads or various moist sands and water was trickled onto the columns every eight hours for periods up to 10 days. The xylene residual in the columns with water infiltration decreased compared to those of control columns, indicating a downward displacement of xylene. The extent of displacement increased with increasing size of the porous media and with increasing amounts of water infiltration.

  17. Vibrational Quantum Decoherence in Liquid Water.

    PubMed

    Joutsuka, Tatsuya; Thompson, Ward H; Laage, Damien

    2016-02-18

    Traditional descriptions of vibrational energy transfer consider a quantum oscillator interacting with a classical environment. However, a major limitation of this simplified description is the neglect of quantum decoherence induced by the different interactions between two distinct quantum states and their environment, which can strongly affect the predicted energy-transfer rate and vibrational spectra. Here, we use quantum-classical molecular dynamics simulations to determine the vibrational quantum decoherence time for an OH stretch vibration in liquid heavy water. We show that coherence is lost on a sub-100 fs time scale due to the different responses of the first shell neighbors to the ground and excited OH vibrational states. This ultrafast decoherence induces a strong homogeneous contribution to the linear infrared spectrum and suggests that resonant vibrational energy transfer in H2O may be more incoherent than previously thought. PMID:26807717

  18. Liquid Water vs. Hydrogen Cyanide on Enceladus

    NASA Astrophysics Data System (ADS)

    Glein, C. R.; Zolotov, M. Y.; Shock, E. L.

    2008-12-01

    The Ion and Neutral Mass Spectrometer onboard the Cassini spacecraft detected hydrogen cyanide (HCN) in plumes on Enceladus [1]. We explored computationally the thermodynamic stability and kinetic reactivity of HCN. Thermochemical equilibrium calculations show that HCN is unstable in liquid water, and should be overwhelmingly hydrolyzed to formic acid (HCOOH) and ammonia (NH3) under all conditions relevant to Enceladus. Even in an aqueous solution with an unreasonably high NH3 activity of 10, the HCOOH/HCN activity ratio is predicted to be greater than 107 at 0°C. This ratio decreases with increasing NH3 activity and with increasing temperature. Even at high temperatures (e.g., 200°C), it is at least 3-4 orders-of-magnitude above unity. It is notable that neither formic acid nor ammonia have been detected in any plumes [1]. We thus infer that the detected HCN is unlikely to have equilibrated with an aqueous solution below Enceladus' surface. Chemical kinetic considerations indicate that the hydrolysis lifetime of HCN has a complex dependence on pH, and decreases with increasing temperature. We find that, even at the pH value most conducive to the survival of HCN (~5), HCN can persist for only about 5 Ma in liquid water at 0°C. Thus, the HCN in the plumes could not have come from a long-lasting ocean or sea, and probably came from a recent aqueous melt or some icy phase. A liquid source for the HCN would be more restrictive than an ice source. For example, an aqueous solution must have a pH between 4-6 for HCN to be preserved in it for at least ~1 Ma at 0°C. However, this pH restriction would be lifted if the HCN source were a very young pool (i.e., centuries-millennia old). On the other hand, it is expected that HCN could survive indefinitely in an icy matrix. The proposed HCN sources may be less favorable abodes for life than a long-lived aqueous reservoir. Reference: [1] Waite J.H. et al. (2008) Eur. Planet. Sci. Congr. 3, EPSC2008-A-00593.

  19. Detection of radiation-induced hydrocarbons in baked sponged cake prepared with irradiated liquid egg

    NASA Astrophysics Data System (ADS)

    Schulzki, G.; Spiegelberg, A.; Bögl, K. W.; Schreiber, G. A.

    1995-02-01

    For identification of irradiated food, radiation-induced volatile hydrocarbons (HC) are determined by gas chromatography in the non-polar fraction of fat. However, in complex food matrices the detection is often disturbed by fat-associated compounds. On-line coupling of high performance liquid chromatography (LC) and gas chromatography (GC) is very efficient to remove such compounds from the HC fraction. The high sensitivity of this fast and efficient technique is demonstrated by the example of detection of radiation-induced HC in fat isolated from baked sponge cake which had been prepared with irradiated liquid egg.

  20. An eight-month sample of marine stratocumulus cloud fraction, albedo, and integrated liquid water

    NASA Technical Reports Server (NTRS)

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

    1990-01-01

    Surface-meteorology and shortwave/longwave irradiance measurements taken on the northwest tip of San Nicolas Island off the coast of Southern California from March through October 1987 are analyzed. Experimental details are summarized, and shortwave cloud-radiation parameterization is outlined with emphasis on a shortwave algorithm. Frequency distributions indicate the stratocumulus clouds at the island have a cloud base on the order of 400 m, an integrated liquid water content of 75 g/sq m, and an albedo of 0.55 with substantial diurnal variations. The longwave parameterization for cloud fraction is also considered, and it is noted that using these models for downward longwave and shortwave irradiances, cloud fraction, integrated liquid water content, and albedo are deduced from the data.

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

    SciTech Connect

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

    2015-08-14

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

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

    PubMed

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

    2015-08-14

    We report experimental results on the diffusivity of water in two ionic liquids obtained using the pulsed-gradient spin-echo NMR method. Both ionic liquids have the same cation, 1-butyl-1-methylpyrrolidinium, but different trifluoromethyl-containing anions. One has a strongly hydrophobic anion, bis(trifluoromethylsulfonyl)amide, while the second has a hydrophilic anion, trifluoromethylsulfonate. Transport of water in these ionic liquids is much faster than would be predicted from hydrodynamic laws, indicating that the neutral water molecules experience a very different friction than the anions and cations at the molecular level. Temperature-dependent viscosities, conductivities, and densities are reported as a function of water concentration to further analyze the properties of the ionic liquid-water mixtures. These results on the properties of water in ionic liquids should be of interest to researchers in diverse areas ranging from separations, solubilizing biomass and energy technologies. PMID:26277141

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

    NASA Astrophysics Data System (ADS)

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

    2015-08-01

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

  4. Effects of radical scavengers on aqueous solutions exposed to heavy-ion irradiation using the liquid microjet technique

    NASA Astrophysics Data System (ADS)

    Nomura, Shinji; Tsuchida, Hidetsugu; Furuya, Ryousuke; Miyahara, Kento; Majima, Takuya; Itoh, Akio

    2015-12-01

    The effects of the radical scavenger ascorbic acid on water radiolysis are studied by fast heavy-ion irradiation of aqueous solutions of ascorbic acid, using the liquid microjet technique under vacuum. To understand the reaction mechanisms of hydroxyl radicals in aqueous solutions, we directly measure secondary ions emitted from solutions with different ascorbic acid concentrations. The yield of hydronium secondary ions is strongly influenced by the reaction between ascorbic acid and hydroxyl radicals. From analysis using a simple model considering chemical equilibria, we determine that the upper concentration limit of ascorbic acid with a radical scavenger effect is approximately 70 μM.

  5. Luminescence imaging of water during alpha particle irradiation

    NASA Astrophysics Data System (ADS)

    Yamamoto, Seiichi; Komori, Masataka; Koyama, Shuji; Toshito, Toshiyuki

    2016-05-01

    The luminescence imaging of water using the alpha particle irradiation of several MeV energy range is thought to be impossible because this alpha particle energy is far below the Cerenkov-light threshold and the secondary electrons produced in this energy range do not emit Cerenkov-light. Contrary to this consensus, we found that the luminescence imaging of water was possible with 5.5 MeV alpha particle irradiation. We placed a 2 MBq of 241Am alpha source in water, and luminescence images of the source were conducted with a high-sensitivity, cooled charge-coupled device (CCD) camera. We also carried out such imaging of the alpha source in three different conditions to compare the photon productions with that of water, in air, with a plastic scintillator, and an acrylic plate. The luminescence imaging of water was observed from 10 to 20 s acquisition, and the intensity was linearly increased with time. The intensity of the luminescence with the alpha irradiation of water was 0.05% of that with the plastic scintillator, 4% with air, and 15% with the acrylic plate. The resolution of the luminescence image of water was better than 0.25 mm FWHM. Alpha particles of 5.5 MeV energy emit luminescence in water. Although the intensity of the luminescence was smaller than that in air, it was clearly observable. The luminescence of water with alpha particles would be a new method for alpha particle detection and distribution measurements in water.

  6. [Effect of infrared laser irradiation on the arterial blood pressure in liquidators of the accident at the Chernobyl power plant].

    PubMed

    Korkushko, O O

    2003-01-01

    Liquidators of Tchernobyl accident with discirculatory post-irradiation encephalopathy were treated with infra-red lazer irradiation together with a half doze of pharmacological agents usually used. Infra-red lazer irradiation has been shown to result in a significant reduce in the arterial pressure level, so it can be effective in correcting the disturbances in haemodynamics. PMID:12669529

  7. Evidence for Recent Liquid Water on Mars

    NASA Technical Reports Server (NTRS)

    2000-01-01

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

  8. Surface reformation and electro-optical characteristics of liquid crystal alignment layers using ion beam irradiation

    SciTech Connect

    Oh, Byeong-Yun; Lee, Kang-Min; Kim, Byoung-Yong; Kim, Young-Hwan; Han, Jin-Woo; Han, Jeong-Min; Lee, Sang-Keuk; Seo, Dae-Shik

    2008-09-15

    The surface modification characteristics of liquid crystal (LC) alignment layers irradiated with various argon (Ar) ion beam (IB) energies were investigated as a substitute for rubbing technology. Various pretilt angles were created on the IB-irradiated polyimide (PI) surfaces after IB irradiation, but the Ar ions did not alter the morphology on the PI surface, indicating that the pretilt angle was not due to microgrooves. The chemical bonding states of the IB-irradiated PI surfaces were analyzed in detail by x-ray photoelectron spectroscopy to verify the compositional behavior for the LC alignment. Chemical structure analysis showed that the alignment ability of LCs was due to the preferential reorientation of the carbon network due to the breaking of C=O double bonds in the imide ring parallel to the incident IB direction. The potential of applying nonrubbing technology to display devices was further supported by the superior electro-optical characteristics compared to rubbed PI.

  9. Long-term evolution of transient liquid water on Mars

    NASA Astrophysics Data System (ADS)

    Richardson, Mark I.; Mischna, Michael A.

    2005-03-01

    Liquid water is not currently stable on the surface of Mars; however, transient liquid water (ice melt) may occur if the surface temperature is between the melting and boiling points. Such conditions are met on Mars with current surface pressures and obliquity due to the large diurnal range of surface temperatures. This yields the potential for transient, nonequilibrium liquid water. A general circulation model is used to undertake an initial exploration of the variation of this ``transient liquid water potential'' (TLWP) for different obliquities and over a range of increased pressures representing progressively earlier phases of Martian geological history. At higher obliquities and slightly higher surface pressures (<50 mbar), TLWP conditions are met over a very large fraction of the planet. As the surface pressure is increased above about 50-100 mbar, however, increased atmospheric thermal blanketing reduces the diurnal surface temperature range, essentially eliminating the possibility of even transient liquid water. At high enough pressures, the mean temperature is sufficiently elevated to allow stable liquid water. Thus the potential for liquid water on Mars has not decreased monotonically over planetary history as the atmosphere was lost. Instead, a distinct minimum in TLWP (the ``dead zone'') will have occurred during the extended period for which pressures were in the middle range between about 0.1 and 1 bar. This has direct and restrictive implications for chemical weathering and life. The fundamental conclusion of this study is largely insensitive to invocation of brines and to more detailed treatment of atmospheric radiative processes.

  10. Anatomy of competing quantum effects in liquid water.

    NASA Astrophysics Data System (ADS)

    Ramirez, Rafa; Ganeshan, Sriram; Fernandez-Serra, M. V.

    2013-03-01

    ct- Molecules like water have vibrational modes with zero point energy well above room temperature. As a consequence, classical molecular dynamics simulations of liquid water largely underestimate the kinetic energy of the ions, which translates into an underestimation of covalent interatomic distances. In this work, we show that it is possible to apply generalized Langevin equation with suppressed noise in combination with Nose-Hoover thermostats to achieve an efficient zero-point temperature of independent modes of liquid water. Using this method we deconstruct the competing quantum effects in liquid water. We demonstrate how the structure and dynamical modes of liquid water respond to non-equilibrium distribution of zero point temperatures on the normal modes.

  11. Thermoluminescence dosimetry measurements of brachytherapy sources in liquid water

    SciTech Connect

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

    2008-09-15

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

  12. Moving and deforming a liquid drop by pulsed laser irradiation

    NASA Astrophysics Data System (ADS)

    Klein, Alexander L.; Visser, Claas Willem; Lhuissier, Henri; Villermaux, Emmanuel; Sun, Chao; Lohse, Detlef; Gelderblom, Hanneke

    2014-11-01

    The impact of a focused laser pulse onto a liquid drop can be so violent that the drop strongly deforms and eventually explodes. We studied the drop dynamics that results from this laser impact experimentally, in order to understand the time evolution of the drop and find the underlying driving mechanism. The high reproducibility of the dynamics allowed us to use stroboscopic illumination with short, ns exposure times. Combining this technique with high-speed imaging we captured key details of the laser impact and drop deformation. The laser impact ablates the front the drop while the remainder of the drop acquires a velocity of several m/s. The drop expands radially into a disk-like shape with a velocity of the same order of magnitude, before instabilities develop and the drop fragments. A parameter study of the time-resolved drop shape and velocity as a function of the laser energy is presented.

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

    NASA Technical Reports Server (NTRS)

    Lanzarone, Anthony

    1995-01-01

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

  14. 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. PMID:23277673

  15. Factors that Determine Zeolite Stability in Hot Liquid Water.

    PubMed

    Zhang, Lu; Chen, Kuizhi; Chen, Banghao; White, Jeffery L; Resasco, Daniel E

    2015-09-16

    The susceptibility of zeolites to hot liquid water may hamper their full utilization in aqueous phase processes, such as those involved in biomass conversion and upgrading reactions. Interactions of zeolites with water strongly depend on the presence of hydrophilic moieties including Brønsted acid sites (BAS), extraframework cations, and silanol defects, which facilitate wetting of the surface. However, it is not clear which of these moieties are responsible for the susceptibility of zeolites to liquid water. Previous studies have offered contradictory explanations because the role of each of these characteristics has not been investigated independently. In this work, a systematic comparison has been attempted by relating crystallinity losses to the variation of each of the five zeolite characteristics that may influence their stability in liquid water, including number of BAS, Si-O-Si bonds, framework type, silanol defects, and extraframework Al. In this study, we have systematically monitored the crystallinity changes of a series of HY, H-ZSM-5, and H-β zeolite samples with varying Si/Al ratio, density of BAS, zeolite structure, and density of silanol defects upon exposure to liquid water at 200 °C. The results of this comparison unambiguously indicate that the density of silanol defects plays the most crucial role in determining susceptibility of zeolites to hot liquid water. By functionalizing the silanol defects with organosilanes, the hydrophobicity of defective zeolite is increased and the tolerance to hot liquid water is significantly enhanced. PMID:26301890

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

    NASA Technical Reports Server (NTRS)

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

    1997-01-01

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

  17. Liquid nanodroplet formation through phase explosion mechanism in laser-irradiated metal targets

    NASA Astrophysics Data System (ADS)

    Mazzi, Alberto; Gorrini, Federico; Miotello, Antonio

    2015-09-01

    Some quantitative aspects of laser-irradiated pure metals, while approaching phase explosion, are still not completely understood. Here, we develop a model that describes the main quantities regulating the liquid-vapor explosive phase transition and the expulsion of liquid nanodroplets that, by solidifying, give rise to nanoparticle formation. The model combines both a thermodynamics description of the explosive phase change and a Monte Carlo simulation of the randomly generated critical vapor bubbles. The calculation is performed on a set of seven metals (Al, Fe, Co, Ni, Cu, Ag, and Au) which are frequently used in pulsed laser ablation experiments. Our final predictions about the size distribution of the liquid nanodroplets and the number ratio of liquid/vapor ejected atoms are compared, whenever possible, with available molecular dynamics simulations and experimental data.

  18. Two Calorimetrically Distinct States of Liquid Water Below 150 Kelvin

    PubMed

    Johari; Hallbrucker; Mayer

    1996-07-01

    Vapor-deposited amorphous solid and hyperquenched glassy water were found to irreversibly transform, on compression at 77 kelvin, to a high-density amorphous solid. On heating at atmospheric pressure, this solid became viscous water (water B), with a reversible glass-liquid transition onset at 129 +/- 2 kelvin. A different form of viscous water (water A) was formed by heating the uncompressed vapor-deposited amorphous solid and hyperquenched liquid water. On thermal cycling up to 148 kelvin, water B remained kinetically and thermodynamically distinct from water A. The occurrence of these two states, which do not interconvert, helps explain both the configurational relaxation of water and stress-induced amorphization. PMID:8688057

  19. Evidence for Recent Liquid Water on Mars

    NASA Technical Reports Server (NTRS)

    2000-01-01

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

  20. Degradation of sodium dodecylbenzene sulfonate in water by ultrasonic irradiation.

    PubMed

    Manousaki, Eleni; Psillakis, Elefteria; Kalogerakis, Nicolas; Mantzavinos, Dionissios

    2004-10-01

    The potential of using ultrasonic irradiation for the removal of sodium dodecylbenzene sulfonate (SDBS) from aqueous solutions has been investigated. Experiments were performed at initial concentrations of 15, 30 and 100 mgl(-1), ultrasonic frequencies of 20 and 80 kHz, applied power values of 45, 75 and 150 W and liquid bulk temperatures of 20, 40 and 60 degrees C. At the conditions in question, SDBS conversion was found to decrease with increasing temperature and initial solute concentration and decreasing power and frequency. Investigations using the radical scavengers 1-butanol and KBr revealed that SDBS degradation proceeds through radical reactions occurring predominately at the bubble-liquid interface and, to a lesser extent, in the liquid bulk. Addition of NaCl or H(2)O(2) had little or even an adverse effect on SDBS conversion. Conversely, addition of Fe(2+) either alone or in conjunction with H(2)O(2) (Fenton reagent) had a positive effect on degradation. Finally, shake flask tests with activated sludge were performed to assess the aerobic biodegradability before and after sonochemical treatment. At the conditions under consideration, the use of ultrasound enhanced the aerobic degradability of the substrate in question. PMID:15350427

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

    ERIC Educational Resources Information Center

    Illinois State Environmental Protection Agency, Springfield.

    These materials are for use by elementary and middle school teachers in the state of Illinois. This document contains five modules for teaching water conservation. Topics include: (1) "Life Depends on Water,""What is Water?" and "The Hydrologic Cycle"; (2) "The Treatment of Drinking Water"; (3) "Wastewater Treatment"; (4) "Earth's Closed…

  2. Determination of liquid water altitudes using combined remote sensors

    SciTech Connect

    Politovich, M.K.

    1995-09-01

    Methods by which altitude ranges of supercooled cloud liquid water in the atmosphere may be estimated are explored using measurements from a combination of ground-based remote sensors. The tests were conducted as part of the Winter Icing and Storms Project that took place in eastern Colorado during the winters of 1990, 1991, and 1993. The basic method augments microwave radiometer measurements of path-integrated liquid water with observations from additional remote sensors to establish height limits for the supercooled liquid. One variation uses a simple adiabatic parcel lifting model initiated at a cloud-base height determined from a ceilometer, temperature and pressure from a radio acoustic sounding system or rawinsonde, and combines these with the radiometer`s total liquid measurement to obtain an estimate of the liquid cloud-top height. Since it does not account for liquid loss by entrainment or ice-liquid interaction processes, this method tends to underestimate the true liquid cloud top; for two cases examined in detail, 54% of icing pilot reports in the area were from above this estimated height. Some error is introduced due to differences in sampling locations and from horizontal variability in liquid water content. Vertical cloud boundaries from a K{sub a}-band radar were also used in the study; these often indicated thicker clouds than the liquid-layer depths observed from research aircraft, possibly due to the ambiguity of the ice-liquid phase distinction. Comparisons of liquid vertical profiles are presented, using normalized profile shapes based on uniform, adiabatic, and aircraft-derived composite assumptions. The adiabatic and climatological profile shapes generally agreed well with measurements from a research aircraft and were more realistic than the uniform profile. Suggestions for applications of these results toward a real-time aviation hazard identification system are presented. 30 refs., 11 figs., 5 tabs.

  3. The determination of water in biomass-derived liquid fuels

    SciTech Connect

    Roy, C.; De Caumia, B.

    1986-01-01

    The Dean and Stark distillation is an appropriate method for the determination of water in coal tar, bitumen and petroleum-like products. This article shows, however, that a direct application of the Dean and Stark method for the determination of water in biomass-derived liquid fuels results in incorrect estimates. Inaccuracies are due to the presence of soluble organics in the aqueous phase, which apparently form azeotropic mixtures with water and xylene and which condense and are trapped as distillate in the graduated cylinder. Instead, a Karl Fischer determination of water is recommended in the case of biomass-derived liquid fuels.

  4. Toxicity of irradiated advanced heavy water reactor fuels.

    PubMed

    Priest, N D; Richardson, R B; Edwards, G W R

    2013-02-01

    The good neutron economy and online refueling capability of the CANDU® heavy water moderated reactor (HWR) enable it to use many different fuels such as low enriched uranium (LEU), plutonium, or thorium, in addition to its traditional natural uranium (NU) fuel. The toxicity and radiological protection methods for these proposed fuels, unlike those for NU, are not well established. This study uses software to compare the fuel composition and toxicity of irradiated NU fuel against those of two irradiated advanced HWR fuel bundles as a function of post-irradiation time. The first bundle investigated is a CANFLEX® low void reactor fuel (LVRF), of which only the dysprosium-poisoned central element, and not the outer 42 LEU elements, is specifically analyzed. The second bundle investigated is a heterogeneous high-burnup (LEU,Th)O(2) fuelled bundle, whose two components (LEU in the outer 35 elements and thorium in the central eight elements) are analyzed separately. The LVRF central element was estimated to have a much lower toxicity than that of NU at all times after shutdown. Both the high burnup LEU and the thorium fuel had similar toxicity to NU at shutdown, but due to the creation of such inhalation hazards as (238)Pu, (240)Pu, (242)Am, (242)Cm, and (244)Cm (in high burnup LEU), and (232)U and (228)Th (in irradiated thorium), the toxicity of these fuels was almost double that of irradiated NU after 2,700 d of cooling. New urine bioassay methods for higher actinoids and the analysis of thorium in fecal samples are recommended to assess the internal dose from these two fuels. PMID:23274823

  5. Replacement of tritiated water from irradiated fuel storage bay

    SciTech Connect

    Castillo, I.; Boniface, H.; Suppiah, S.; Kennedy, B.; Minichilli, A.; Mitchell, T.

    2015-03-15

    Recently, AECL developed a novel method to reduce tritium emissions (to groundwater) and personnel doses at the NRU (National Research Universal) reactor irradiated fuel storage bay (also known as rod or spent fuel bay) through a water swap process. The light water in the fuel bay had built up tritium that had been transferred from the heavy water moderator through normal fuel transfers. The major advantage of the thermal stratification method was that a very effective tritium reduction could be achieved by swapping a minimal volume of bay water and warm tritiated water would be skimmed off the bay surface. A demonstration of the method was done that involved Computational Fluid Dynamics (CFD) modeling of the swap process and a test program that showed excellent agreement with model prediction for the effective removal of almost all the tritium with a minimal water volume. Building on the successful demonstration, AECL fabricated, installed, commissioned and operated a full-scale system to perform a water swap. This full-scale water swap operation achieved a tritium removal efficiency of about 96%.

  6. Liquid Crystal Alignment on Solution Derived Zinc Oxide Films via Ion Beam Irradiation.

    PubMed

    Park, Hong-Gyu; Han, Jae-Jun; Seo, Dae-Shik

    2016-03-01

    A 75-nm-thick ZnO film was deposited by a sol-gel method on indium-tin oxide (ITO)-coated glass. This film served as a liquid crystal (LC) alignment layer. We report the fabrication and characteristics of this film after ion-beam (IB) irradiation. Uniform LC alignment was achieved at an IB incident energy above 2400 eV. The IB-treated ZnO surface was analyzed by X-ray photoelectron spectroscopy (XPS), monitoring the intensity of the Zn 2p and O 1s peaks as a function of IB-irradiation energy density. The electro-optical (EO) characteristics of a twisted nematic-liquid crystal display (TN-LCD) were comparable to rubbed polyimide. PMID:27455726

  7. Order parameter defining liquid-liquid transition in water

    NASA Astrophysics Data System (ADS)

    Grigera, J. Raul; Chara, Osvaldo; McCarthy, Andres

    2011-03-01

    Water presents both open tetrahedral and compact hexagonal structures. Although several order parameters have been proposed to quantify this, all of them are only applicable to data produced by simulation. We present an order parameter (Pr) that is calculated from the radial distribution function g (r) , also available from experiment. We hereby extract the tetrahedral and hexagonal components from the g (r) , each one reconstructed as the sum of a Freundlich distribution for the first peak, two subsequent Gaussian distributions, and a sigmoidal to account for the rest. The order parameter can be calculated from the relative contribution of tetrahedral over hexagonal contribution. We obtained the Pr for SPC/E water model from molecular dynamics simulations of water at different pressures and temperatures. At 300K, the pressure in which both, tetrahedral and hexagonal contributions become equal (Pr = 0), a structural crossover is found in the vicinity of 2kbar, close to the pressure at which the `'anomalous'' behavior manifests. Having computed Pr for this wide range of pressure and temperature we then calculate the HDL spinodal, the coexistence line, the second critical point, and the Widom line. Supported by CONICET, UNLP, and CIC Prov.BsAs.

  8. Compaction of microporous amorphous solid water by ion irradiation.

    PubMed

    Raut, U; Teolis, B D; Loeffler, M J; Vidal, R A; Famá, M; Baragiola, R A

    2007-06-28

    We have studied the compaction of vapor-deposited amorphous solid water by energetic ions at 40 K. The porosity was characterized by ultraviolet-visible spectroscopy, infrared spectroscopy, and methane adsorption/desorption. These three techniques provide different and complementary views of the structural changes in ice resulting from irradiation. We find that the decrease in internal surface area of the pores, signaled by infrared absorption by dangling bonds, precedes the decrease in the pore volume during irradiation. Our results imply that impacts from cosmic rays can cause compaction in the icy mantles of the interstellar grains, which can explain the absence of dangling bond features in the infrared spectrum of molecular clouds. PMID:17614568

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

    NASA Technical Reports Server (NTRS)

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

    2003-01-01

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

  10. Process for blending coal with water immiscible liquid

    DOEpatents

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

    1982-10-26

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

  11. Modeling of microstructure evolution in austenitic stainless steels irradiated under light water reactor condition

    NASA Astrophysics Data System (ADS)

    Gan, J.; Was, G. S.; Stoller, R. E.

    2001-10-01

    A model for microstructure development in austenitic alloys under light water reactor irradiation conditions is described. The model is derived from the model developed by Stoller and Odette to describe microstructural evolution under fast neutron or fusion reactor irradiation conditions. The model is benchmarked against microstructure measurements in 304 and 316 SS irradiated in a boiling water reactor core using one material-dependent and three irradiation-based parameters. The model is also adapted for proton irradiation at higher dose rate and higher temperature and is calibrated against microstructure measurements for proton irradiation. The model calculations show that for both neutron and proton irradiations, in-cascade interstitial clustering is the driving mechanism for loop nucleation. The loss of interstitial clusters to sinks by interstitial cluster diffusion was found to be an important factor in determining the loop density. The model also explains how proton irradiation can produce an irradiated dislocation microstructure similar to that in neutron irradiation.

  12. 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.

  13. Liquid effluent study: Ground water characterization data

    SciTech Connect

    Not Available

    1990-08-01

    This report is a support document to the Liquid Effluent Study Final Project Report (WHC 1990c). The focus is on sampling and analysis rationale, quality assurance (QA), data validation, and sampling conditions for the groundwater quality assessment. Interpretation of the groundwater data is provided in the final project report. 20 refs., 5 figs., 2 tabs.

  14. New Isotopic Water Analyzer for Hydrological Measurements of Both Liquid Water and Water Vapor

    NASA Astrophysics Data System (ADS)

    Owano, T.; Gupta, M.; Berman, E.; Baer, D.

    2012-04-01

    Measurements of the stable isotope ratios of liquid water allow determination of water flowpaths, residence times in catchments, and groundwater migration. Previously, discrete water samples have been collected and transported to an IRMS lab for isotope characterization. Due to the expense and labor associated with such sampling, isotope studies have thus been generally limited in scope and in temporal resolution. We report on the recent development of the first Isotopic Water Analyzer that simultaneously quantifies δ2H, δ17O and δ18O in liquid water or in water vapor from different natural water sources (e.g., rain, snow, streams and groundwater). In High-Throughput mode, the IWA can report measurements at the unprecedented rate of over 800 injections per day, which yields more than 140 total unknown and reference samples per day (still with 6 injections per measurement). This fast time response provides isotope hydrologists with the capability to study dynamic changes in δ values quickly (minutes) and over long time scales (weeks, months), thus enabling studies of mixing dynamics in snowmelt, canopy throughfall, stream mixing, and allows for individual precipitation events to be independently studied. In addition, the same IWA can also record fast measurements of isotopic water vapor (δ2H, δ17O, δ18O) in real time (2 Hz data rate or faster) over a range of mole fractions greater than 60000 ppm H2O in air. Changing between operational modes requires a software command, to enable the user to switch from measuring liquid water to measuring water vapor, or vice versa. The new IWA, which uses LGR's patented Off-axis ICOS technology, incorporates proprietary internal thermal control for stable measurements with essentially zero drift despite changes in ambient temperature (over the entire range from 0-45 degrees C). Measurements from recent field studies using the IWA will be presented.

  15. Rainfall estimation from liquid water content and precipitable water content data over land, ocean and plateau

    NASA Astrophysics Data System (ADS)

    Chakraborty, S.; Adhikari, A.; Maitra, A.

    2016-01-01

    A simplistic approach has been proposed to estimate annual rainfall amount from cloud liquid water content and precipitable water content utilizing the data pertaining to the period of 1997-2006. The study involves seven land locations over India, seven stations over plateau and seven locations over the Indian Ocean. The wavelet analyses exhibit prominent annual peaks in the global spectra of rainfall, cloud liquid water content and precipitable water content. Power-law relationships are found to exist between the global wavelet peaks of precipitation and those of both the parameters, namely, cloud liquid water content and precipitable water content. Again, a linear relationship exists between global wavelet peaks of rainfall amount and total rainfall amount. The rainfall estimations utilizing cloud liquid water content data exhibit better matching with the measured values than those utilizing precipitable water content data.

  16. Metastable liquid-liquid phase separation and criticality in water-like models

    NASA Astrophysics Data System (ADS)

    Singh, Rakesh; Biddle, John; Debenedetti, Pablo; Anisimov, Mikhail

    Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. A possible explanation of the origin of these anomalies lies in the existence of a metastable first order liquid-liquid phase transition (LLPT) between two (high and low density) forms of liquid water. Unambiguous experimental proof of existence of LLPT in bulk supercooled water is so far hampered by ultra-fast ice crystallization. Computer simulations of water models are therefore crucial for exploring the possibility of LLPT in deeply supercooled water. We present computer simulation results that elucidate the possibility of a metastable LLPT in one of the most accurate atomistic models of water, TIP4P/2005. To describe the computed properties, we have applied two-state thermodynamics, viewing water as a non-ideal mixture of two inter-convertible states. The thermodynamic behavior of the model in the one-phase region suggests the existence of energy-driven LLPT. We compare the behavior of TIP4P/2005 with other popular water models, and with real water, all of which are well-described by two-state thermodynamics. Additionally, we also elucidate the relation between the phenomenological order parameter of the two-state thermodynamics and the microscopic nature of the low-density structure.

  17. BLISTERING AND EXPLOSIVE DESORPTION OF IRRADIATED AMMONIA-WATER MIXTURES

    SciTech Connect

    Loeffler, M. J.; Baragiola, R. A. E-mail: raul@virginia.edu

    2012-01-10

    We present laboratory studies on the thermal evolution of a solid ammonia-water mixture after it has been irradiated at 20, 70, and 120 K. In samples irradiated at {<=}70 K, we observed fast outbursts that appear to indicate grain ejection and correlate well with the formation of micron-sized scattering centers. The occurrence of this phenomenon at the lower irradiation temperatures indicates that our results may be most relevant for understanding the release of gas and grains by comets and the surfaces of some of the colder icy satellites. We observe outgassing at temperatures below those where ice sublimates, which suggests that comets containing radiolyzed material may have outbursts farther from the Sun that those that are passive. In addition, the estimated size of the grains ejected from our sample is on the order of the size of E-ring particles, suggesting that our results give a plausible mechanism for how micron-sized grains could be formed from an icy surface. Finally, we propose that the presence of the {approx}4.5 {mu}m N{sub 2}O absorption band on an icy surface in outer space will serve to provide indirect evidence for radiation-processed ices that originally contained ammonia or nitrogen, which could be particularly useful since nitrogen is such a weak absorber in the infrared and ammonia is rapidly decomposed by radiolysis.

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

    PubMed

    Limmer, David T; Chandler, David

    2013-06-01

    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) 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. PMID:23758385

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

    SciTech Connect

    Limmer, David T.; Chandler, David

    2013-06-07

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

  20. Liquid water transport mechanism in the gas diffusion layer

    NASA Astrophysics Data System (ADS)

    Zhou, P.; Wu, C. W.

    We developed an equivalent capillary model of a microscale fiber-fence structure to study the microscale evolution and transport of liquid in a porous media and to reveal the basic principles of water transport in gas diffusion layer (GDL). Analytical solutions using the model show that a positive hydraulic pressure is needed to drive the liquid water to penetrate through the porous GDL even consisting of the hydrophilic fibers. Several possible contributions for the water configuration, such as capillary pressure, gravity, vapor condensation, wettability and microstructures of the GDL, are discussed using the lattice Boltzmann method (LBM). It is found that the distribution manners of the fibers and the spatial mixed-wettability in the GDL also play an important role in the transport of liquid water.

  1. Searching for liquid water in Europa by using surface observatories.

    PubMed

    Khurana, Krishan K; Kivelson, Margaret G; Russell, Christopher T

    2002-01-01

    Liquid water, as far as we know, is an indispensable ingredient of life. Therefore, locating reservoirs of liquid water in extraterrestrial bodies is a necessary prerequisite to searching for life. Recent geological and geophysical observations from the Galileo spacecraft, though not unambiguous, hint at the possibility of a subsurface ocean in the Jovian moon Europa. After summarizing present evidence for liquid water in Europa, we show that electromagnetic and seismic observations made from as few as two surface observatories comprising a magnetometer and a seismometer offer the best hope of unambiguous characterization of the three-dimensional structure of the ocean and the deeper interior of this icy moon. The observatories would also help us infer the composition of the icy crust and the ocean water. PMID:12449858

  2. Gamma irradiation test report of simulated grout specimens for gas generation/liquid advection

    SciTech Connect

    Hinman, C.A.

    1994-10-14

    This report presents the results from an irradiation test performed on four specimens of grout that were fabricated from synthetic Double Shell Slurry Feed (DSSF) liquid waste. The objective was to investigate the radiolytic generation of gases and the potential for advective rejection of waste liquids from the grout matrix and to provide experimental information for the validation of the C-Cubed calculated model. It has been demonstrated that a number of gases can be formed within the grout due to radiolytic decomposition of various chemical components that make up the grout. This observation leads to the conjecture that the potential exists for the rejection of a portion of the 60 vol% free liquid from the grout matrix driven by pressurization by these gases. It was found that, for the specimen geometries used in this test series, and for peak radiation dose accumulation rates on the order of 4 to 60 times of the initial rate expected in the grout vaults (300 Rads/hr), no liquid rejection was observed from 2% to 35% of the target exposure expected in the grout vaults (1E+08 Rads). When the irradiation rate exceeded the projected grout vault dose rate by a factor of 200 a small amount of liquid rejection was observed from one of two specimens that had received 20% more than the goal exposure. Because of the differences in the magnitudes of the relative radiation field strengths between this study and an actual grout vault, it is concluded that the potential for liquid rejection by internal gas pressurization from presently configured grout waste forms is very low for the expected conditions.

  3. Alteration of an annealed and irradiated lunar fines sample by adsorbed water

    NASA Technical Reports Server (NTRS)

    Holmes, H. F.; Agron, P. A.; Eichler, E.; Fuller, E. L., Jr.; Okelley, G. D.; Gammage, R. B.

    1975-01-01

    Apollo 12 lunar fines sample 12070,403 was annealed at 1000 C and subsequently irradiated with a beam of 130 MeV Fe(9+) ions. Adsorptions of nitrogen and water were measured before and after the irradiation. Prior to the irradiation, the fines were nonporous and water had no effect on the physical characteristics of the lunar fines. In contrast, after the irradiation, the interaction with water caused an increase in the specific surface area and created a pore system. These results are definitive evidence that the interaction of water with damage tracks is the prime factor involved in the alteration of lunar fines by adsorbed water.

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

    NASA Astrophysics Data System (ADS)

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

    2014-08-01

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

  5. 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. PMID:25149798

  6. Structure and Depletion at Fluorocarbon and Hydrocarbon/Water Liquid/Liquid Interfaces

    SciTech Connect

    Kashimoto,K.; Yoon, J.; Hou, B.; Chen, C.; Lin, B.; Aratono, M.; Takiue, T.; Schlossman, M.

    2008-01-01

    The results of x-ray reflectivity studies of two oil/water (liquid/liquid) interfaces are inconsistent with recent predictions of the presence of a vaporlike depletion region at hydrophobic/aqueous interfaces. One of the oils, perfluorohexane, is a fluorocarbon whose superhydrophobic interface with water provides a stringent test for the presence of a depletion layer. The other oil, heptane, is a hydrocarbon and, therefore, is more relevant to the study of biomolecular hydrophobicity. These results are consistent with the subangstrom proximity of water to soft hydrophobic materials.

  7. 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.

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

    NASA Technical Reports Server (NTRS)

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

    2003-01-01

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

  9. 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. PMID:25479506

  10. Water splitting on semiconductor catalysts under visible-light irradiation.

    PubMed

    Navarro Yerga, Rufino M; Alvarez Galván, M Consuelo; del Valle, F; Villoria de la Mano, José A; Fierro, José L G

    2009-01-01

    Sustainable hydrogen production is a key target for the development of alternative, future energy systems that will provide a clean and affordable energy supply. The Sun is a source of silent and precious energy that is distributed fairly all over the Earth daily. However, its tremendous potential as a clean, safe, and economical energy source cannot be exploited unless the energy is accumulated or converted into more useful forms. The conversion of solar energy into hydrogen via the water-splitting process, assisted by photo-semiconductor catalysts, is one of the most promising technologies for the future because large quantities of hydrogen can potentially be generated in a clean and sustainable manner. This Minireview provides an overview of the principles, approaches, and research progress on solar hydrogen production via the water-splitting reaction on photo-semiconductor catalysts. It presents a survey of the advances made over the last decades in the development of catalysts for photochemical water splitting under visible-light irradiation. The Minireview also analyzes the energy requirements and main factors that determine the activity of photocatalysts in the conversion of water into hydrogen and oxygen using sunlight. Remarkable progress has been made since the pioneering work by Fujishima and Honda in 1972, but he development of photocatalysts with improved efficiencies for hydrogen production from water using solar energy still faces major challenges. Research strategies and approaches adopted in the search for active and efficient photocatalysts, for example through new materials and synthesis methods, are presented and analyzed. PMID:19536754

  11. Surface potential of the water liquid-vapor interface

    NASA Technical Reports Server (NTRS)

    Wilson, Michael A.; Pohorille, Andrew; Pratt, Lawrence R.

    1988-01-01

    An analysis of an extended molecular dynamics calculation of the surface potential (SP) of the water liquid-vapor interface is presented. The SP predicted by the TIP4P model is -(130 + or - 50) mV. This value is of reasonable magnitude but of opposite sign to the expectations based on laboratory experiments. The electrostatic potential shows a nonmonotonic variation with depth into the liquid.

  12. Fluorescent liquid pyrene derivative-in-water microemulsions.

    PubMed

    Hollamby, M J; Danks, A E; Schnepp, Z; Rogers, S E; Hart, S R; Nakanishi, T

    2016-05-31

    A fluorescent liquid pyrene derivative with a high fluorescence quantum yield (65%) in the bulk state is reported. With this as the sole oil phase, stable luminescent oil-in-water microemulsions have been prepared. Increasing the loading of liquid pyrene swells the droplets, as detected by small-angle neutron scattering. These larger droplets have a greater proportion of pyrene excimer emission contribution in their photoluminescence spectra, which leads to a red shift in the chromaticity of the emission. PMID:27194647

  13. Metastability of Liquid Water on Mars

    NASA Technical Reports Server (NTRS)

    Hecht, M. H.

    2001-01-01

    This talk reviews reasonable spatial and temporal scales for melting and flowing of water on Mars, and relates them to plausible martian conditions. Additional information is contained in the original extended abstract.

  14. Ablation efficiency of α-Al2O3 in liquid phase and ambient air by nanosecond laser irradiation

    NASA Astrophysics Data System (ADS)

    Sajti, Csaba László; Sattari, Ramin; Chichkov, Boris; Barcikowski, Stephan

    2010-07-01

    Ablation efficiency and influences of laser parameters on a material removal rate by a nanosecond laser irradiation of α-Al2O3 are studied in gas and liquid phases. The laser ablation in the air yields maximum material removal rate of 12 ng/pulse using a 4.6-mJ pulse energy at 4-kHz repetition rate, compared to 88 ng/pulse in the water flow. Using a specific interpulse distance and a laser repetition rate further increase material removal rate by factor of 3 and 65, respectively, owing to an optimized lattice temperature and laser pulse interactions with the generated cavitation bubble. For the ablation in the air, these parameters do not significantly affect the ablation efficiency.

  15. Organics Produced by Irradiation of Frozen and Liquid HCN Solutions: Implications for Chemical Evolution Studies

    NASA Astrophysics Data System (ADS)

    Colín-García, M.; Negrón-Mendoza, A.; Ramos-Bernal, S.

    2009-04-01

    Hydrogen cyanide (HCN), an important precursor of organic compounds, is widely present in extraterrestrial environments. HCN is also readily synthesized in prebiotic simulation experiments. To gain insight into the radiation chemistry of one of the most important and highly versatile constituents of cometary ices, we examined the behavior of over-irradiated frozen and liquid HCN solutions under ionizing radiation. The samples were exposed to gamma radiation at a dose range from 0 up to 419 kGy. Ultraviolet spectroscopy and gas chromatography were used to follow the process. The analyses confirmed that gamma-ray irradiation of liquid HCN solutions generates several organic products. Many of them are essential to life; we verified the presence of carboxylic acids (some of them members of the Krebs cycle) as well as free amino acids and urea. These are the first studies to reveal the presence of these compounds in experiments performed at low temperatures and bulk irradiation. Organic material was produced even at low temperatures and low radiation doses. This work strongly supports the presumption that, as a parent molecule, HCN played a central essential role in the process of chemical evolution on early Earth, comets, and other extraterrestrial environments.

  16. Bond orientational order in liquids: Towards a unified description of water-like anomalies, liquid-liquid transition, glass transition, and crystallization: Bond orientational order in liquids.

    PubMed

    Tanaka, Hajime

    2012-10-01

    There are at least three fundamental states of matter, depending upon temperature and pressure: gas, liquid, and solid (crystal). These states are separated by first-order phase transitions between them. In both gas and liquid phases a complete translational and rotational symmetry exist, whereas in a solid phase both symmetries are broken. In intermediate phases between liquid and solid, which include liquid crystal and plastic crystal phases, only one of the two symmetries is preserved. Among the fundamental states of matter, the liquid state is the most poorly understood. We argue that it is crucial for a better understanding of liquids to recognize that a liquid generally has the tendency to have a local structural order and its presence is intrinsic and universal to any liquid. Such structural ordering is a consequence of many-body correlations, more specifically, bond angle correlations, which we believe are crucial for the description of the liquid state. We show that this physical picture may naturally explain difficult unsolved problems associated with the liquid state, such as anomalies of water-type liquids (water, Si, Ge, ...), liquid-liquid transition, liquid-glass transition, crystallization and quasicrystal formation, in a unified manner. In other words, we need a new order parameter representing a low local free-energy configuration, which is a bond orientational order parameter in many cases, in addition to a density order parameter for the physical description of these phenomena. Here we review our two-order-parameter model of liquid and consider how transient local structural ordering is linked to all of the above-mentioned phenomena. The relationship between these phenomena is also discussed. PMID:23104614

  17. Modification on liquid retention property of cassava starch by radiation grafting with acrylonitrile. I. Effect of γ-irradiation on grafting parameters

    NASA Astrophysics Data System (ADS)

    Kiatkamjornwong, S.; Chvajarernpun, J.; Nakason, C.

    1993-07-01

    Radiation modification on liquid retention properties of native cassava starch, gelatinized at 85°C, by graft copolymerization with acrylonitrile was carried out by mutual irradiation to gamma-rays. A thin aluminum foil was used to cover the inner wall of the reaction vessel, so that the homopolymer concentration was reduced to be less than 1.0% with a distilled water retention value of 665 g/g of the dry weight of the saponified grafted product. Confirmation of graft copolymerization and saponification reactions was made by the infrared spectrophotometric technique. The combined effect of radiation parameters in terms of an irradiation time and a dose rate to the total dose on the extent of the grafting reaction expressed in terms of grafting parameters which directly influenced liquid retention values was evaluated in conjunction with statistical analysis.

  18. Thermodynamic determination of fragility in liquids and a fragile-to-strong liquid transition in water

    NASA Astrophysics Data System (ADS)

    Ito, Kaori; Moynihan, Cornelius T.; Angell, C. Austen

    1999-04-01

    If crystallization can be avoided when a liquid is cooled, it will typically form a glass. Near the glass transition temperature the viscosity increases continuously but rapidly with cooling. As the glass forms, the molecular relaxation time increases with an Arrhenius-like (simple activated) form in some liquids, but shows highly non-Arrhenius behaviour in others. The former are said to be `strong' liquids, and the latter `fragile',. Here we show that the fragility of a liquid can be determined from purely thermodynamic data (as opposed to measurements of kinetics) near and below the melting point. We find that for most liquids the fragilities estimated this way are consistent with those obtained by previous methods and by a new method (ref. 3 and K.I., C.A.A. and C.T.M., unpublished data) at temperatures near the glass transition. But water is an exception. The thermodynamic method indicates that near its melting point it is the most fragile of all liquids studied, whereas the kinetic approach indicates that near the glass transition it is the least fragile. We propose that this discrepancy can be explained by a fragile-to-strong transition in supercooled water near 228K, corresponding to a change in the liquid's structure at this point.

  19. Enhanced mass transfer during solid liquid extraction of gamma-irradiated red beetroot

    NASA Astrophysics Data System (ADS)

    Nayak, Chetan A.; Chethana, S.; Rastogi, N. K.; Raghavarao, K. S. M. S.

    2006-01-01

    The exposure to gamma-irradiation pretreatment increases cell wall permeabilization, resulting in loss of turgor pressure, which led to the increase of extractability of betanin from red beetroot. The degree of extraction of betanin was investigated using gamma irradiation as a pretreatment prior to the solid-liquid extraction process and compared with control beetroot samples. The beetroot subjected to different doses of gamma irradiation (2.5, 5.0, 7.5, 10.0 kGy) and control was dipped in an acetic acid medium (1% v/v) to extract the betanin. The diffusion coefficients for betanin as well as ionic component were estimated considering Fickian diffusion. The results indicated an increase in the diffusion coefficient of betanin (0.302×10 -9-0.463×10 -9 m 2/s) and ionic component (0.248×10 -9-0.453×10 -9 m 2/s) as the dose rate increased (from 2.5 to 10.0 kGy). The degradation constant was found to increase (0.050-0.079 min -1) with an increase gamma-irradiation doses (2.5-10.0 kGy), indicating lower stability of the betanin as compared to control sample at 65 °C.

  20. Solid−liquid critical behavior of water in nanopores

    PubMed Central

    Mochizuki, Kenji; Koga, Kenichiro

    2015-01-01

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

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

    PubMed

    Mochizuki, Kenji; Koga, Kenichiro

    2015-07-01

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

  2. Fluorescence-based remote irradiation sensor in liquid-filled hollow-core photonic crystal fiber

    NASA Astrophysics Data System (ADS)

    Zeltner, R.; Bykov, D. S.; Xie, S.; Euser, T. G.; Russell, P. St. J.

    2016-06-01

    We report an irradiation sensor based on a fluorescent "flying particle" that is optically trapped and propelled inside the core of a water-filled hollow-core photonic crystal fiber. When the moving particle passes through an irradiated region, its emitted fluorescence is captured by guided modes of the fiber core and so can be monitored using a filtered photodiode placed at the fiber end. The particle speed and position can be precisely monitored using in-fiber Doppler velocimetry, allowing the irradiation profile to be measured to a spatial resolution of ˜10 μm. The spectral response can be readily adjusted by appropriate choice of particle material. Using dye-doped polystyrene particles, we demonstrate detection of green (532 nm) and ultraviolet (340 nm) light.

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

    NASA Technical Reports Server (NTRS)

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

    2000-01-01

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

  4. Entropy of Liquid Water from Ab Initio Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Spanu, Leonardo; Zhang, Cui; Galli, Giulia

    2012-02-01

    The debate on the structural properties of water has been mostly based on the calculation of pair correlation functions. However, the simulation of thermodynamic and spectroscopic quantities may be of great relevance for the characterization of liquid water properties. We have computed the entropy of liquid water using a two-phase thermodynamic model and trajectories generated by ab initio molecular dynamics simulations [1]. In an attempt to better understand the performance of several density functionals in simulating liquid water, we have performed ab initio molecular dynamics using semilocal, hybrid [2] and van der Waals density functionals [3]. We show that in all cases, at the experimental equilibrium density and at temperatures in the vicinity of 300 K, the computed entropies are underestimated, with respect to experiment, and the liquid exhibits a degree of tetrahedral order higher than in experiments. We also discuss computational strategies to simulate spectroscopic properties of water, including infrared and Raman spectra.[4pt] [1] C.Zhang, L.Spanu and G.Galli, J.Phys.Chem. B 2011 (in press)[0pt] [2] C.Zhang, D.Donadio, F.Gygi and G.Galli, J. Chem. Theory Comput. 7, 1443 (2011)[0pt] [3] C.Zhang, J.Wu, G.Galli and F.Gygi, J. Chem. Theory Comput. 7, 3061 (2011)

  5. Resurfacing of Ganymede by Liquid-Water Volcanism

    NASA Technical Reports Server (NTRS)

    Showman, A. P.; Mosqueira, I.; Head, J. W., III

    2004-01-01

    A long-popular model for producing Ganymede s bright terrain involves flooding of low-lying graben with liquid water, slush, or warm, soft ice. The model suffers from major problems, however, including the absence of obvious near-surface heat sources, the negative buoyancy of liquid water, and the lack of a mechanism for confining the flows to graben floors. We show that topography - such as a global set of graben - causes subsurface (a hydrostatic) pressure gradients that can "suck" subsurface liquid water upward onto the floors of topographic lows (graben). As the low areas become full, the pressure gradients disappear and the resurfacing ceases. This provides an explanation for the observed straight dark-bright terrain boundaries: water cannot overflow the graben, so surfacing rarely embays craters and other rough topography. Subsurface liquid water must exist for the scenario to exist, of course, and is plausibly provided by tidal heating during an ancient orbital resonance. This abstract is a summary of Showman et al. recently submitted to Icarus.

  6. Comparison of the optical reflectivity of a shock front in liquid water and in liquid nitromethane

    NASA Astrophysics Data System (ADS)

    Harris, P.; Presles, H. N.

    1982-11-01

    Shock front optical reflectivity data for liquid water at 5.8 kbar and for liquid nitromethane at 6.0 kbar are analyzed with a reflectivity theory containing reflection within the shock front. Comparison of the analyses for water and for nitromethane leads to the conclusion that additional physics is necessary to explain the nitromethane data. It is suggested that the experimental-theoretical discrepancy for nitromethane is optical-path-length dependent, and that discrepancy is possibly due to thermal fluctuations related to explosive chemistry.

  7. Selective liquid crystal molecule orientation on ion beam irradiated tantalum oxide ultrathin films

    SciTech Connect

    Lim, Ji-Hun; Oh, Byeong-Yun; Lee, Won-Kyu; Lee, Kang-Min; Na, Hyun-Jae; Kim, Byoung-Yong; Seo, Dae-Shik; Han, Jeong-Min; Hwang, Jeong-Yeon

    2009-09-21

    We recently achieved the homogeneous alignment of liquid crystal (LC) on amorphous Ta{sub 2}O{sub 5} layers. This study demonstrates that LC layers could be aligned either homogeneously or vertically by increasing the growth temperature of rf magnetron sputtering device and the irradiation time of the DuoPIGatron type Ar ion beam device causing uniform and dense plasma. We attained two LC orientations by observing Ta 4f and O 1s peak shifts with x-ray photoelectron spectroscopy. Moreover, the decreased thickness of layers with high-k dielectric constants helped to decrease driving LC voltages and in turn to achieve low power consumption.

  8. Economics of liquid hydrogen from water electrolysis

    NASA Technical Reports Server (NTRS)

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

    1985-01-01

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

  9. New Isotopic Water Analyzer for Hydrological Measurements of both Liquid Water and Water Vapor

    NASA Astrophysics Data System (ADS)

    Owano, T. G.; Gupta, M.; Dong, F.; Baer, D. S.

    2011-12-01

    Measurements of the stable isotope ratios of liquid water (δ2H and δ18O) allow determination of water flowpaths, residence times in catchments, and groundwater migration. In the past, discrete water samples have been collected and transported to an IRMS lab for isotope characterization. Due to the expense and labor associated with such sampling, isotope studies have thus been generally limited in scope and in temporal resolution. We report on the recent development of a new field-portable Isotopic Water Analyzer (IWA-35EP) that accurately quantifies δ2H and δ18O of different natural water sources (e.g., rain, snow, streams and groundwater) at the unprecedented rate of 1080 injections per day, which yields 180 total unknown and reference samples per day (150 unknown samples per day), or 1 measurement of an unknown sample in less than 10 minutes (with 6 injections per measurement). This fast time response provides isotope hydrologists with the capability to study dynamic changes in δ values quickly (minutes) and over long time scales (weeks, months), thus enabling studies of mixing dynamics in snowmelt, canopy throughfall, stream mixing, and allows for individual precipitation events to be independently studied. In addition, the same IWA can also record fast measurements of isotopic water vapor (δ18O and δ2H) in real time (2 Hz data rate or faster) over a range of mole fractions greater than 60000 ppm H2O in air. Changing between operational modes requires a software command, to enable the user to switch from measuring liquid water to measuring water vapor, or vice versa. The new IWA, which uses LGR's patented Off-axis ICOS technology, incorporates proprietary internal thermal control for stable measurements with essentially zero drift. Measurements from recent field studies using the IWA will be presented.

  10. Coherent structures in liquid water close to hydrophilic surfaces

    NASA Astrophysics Data System (ADS)

    Del Giudice, Emilio; Tedeschi, Alberto; Vitiello, Giuseppe; Voeikov, Vladimir

    2013-06-01

    Quantum Electrodynamics (QED) predicts the occurrence of a number of coherent dynamical phenomena in liquid water. In the present paper we focus our attention on the joint coherent oscillation of the almost free electrons produced by the coherent oscillation of the electron clouds of water molecules, which has been described in previous publications, and of the negative electric charges lying on the solid surfaces wet by water. This joint coherent oscillation gives rise to a number of phenomenological consequences which are found to exist in the physical reality and coincide with the layers of Exclusion Zone (EZ) water experimentally observed close to hydrophilic surfaces.

  11. Simulated solar light irradiation of mesotrione in natural waters.

    PubMed

    Ter Halle, Alexandra; Richard, Claire

    2006-06-15

    Photolysis is expected to be a major degradation process for pollutants in surface waters. We report here the first photodegradation study on mesotrione, a new triketone herbicide for use in maize. In a first step, we investigated the direct photolysis of mesotrione at 365 nm from a kinetic and analytical point of view. Mesotrione sensitizes its own oxidation through singlet oxygen formation and sensitizes the oxidation of H-donors through electron or H-atom transfer. In a second step, irradiation experiments were performed under conditions prevalent in the aqueous environment. Mesotrione in submicromolar concentrations was exposed to simulated sunlight, in addition to Suwannee River natural organic matter and/or nitrates. Suwannee River natural organic matter sensitizes the oxidation of mesotrione through the intermediacy of singlet oxygen, and the rate of mesotrione transformation is significantly enhanced for Suwannee River natural organic matter concentrations equal to or above 10 mg/L. Nitrates played a negligible role in SRNOM solutions. PMID:16830551

  12. High energy electron beam irradiation of water, wastewater and sludge

    SciTech Connect

    Kurucz, C.N.; Waite, T.D.; Cooper, W.J.; Nickelsen, M.J.

    1991-12-31

    Research on the use of high energy electrons for treating water, wastewater and wastewater sludge has been under way for approximately twenty years. Much of this work has been supported by the National Science Foundation and an overview of that support has been reported on by Bryan. The results of recent work, especially the most recent project at the Miami Electron Beam Research Facility (EBRF), has stimulated great interest in the area of utilizing this technology for treating environmental problems. This facility is located at the Miami Dade Central District (Virginia Key) Wastewater Treatment Plant in Miami, Florida, and is unique in that it is the only electron beam system set up for large scale treatment of wastewater. High energy electron beam irradiation as a treatment process has potential application in many areas of water, wastewater and industrial waste treatment and in the area of toxic/hazardous waste disposal. This chapter will discuss these applications and present selected results to date. Electron beam technology is described and the underlying chemistry is reviewed to provide a basis for interpretation of results obtained so far, and to point out the necessary information on water quality that is required to quantitatively describe the effectiveness of the process. 55 refs., 10 figs., 5 tabs.

  13. 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.

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

    SciTech Connect

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

    2008-08-01

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

  15. HNC solution for the central force model for liquid water

    NASA Astrophysics Data System (ADS)

    Thuraisingham, Ranjit A.; Friedman, Harold L.

    1983-05-01

    Beginning with the central force model for water introduced by Lemberg, Stillinger, and Rahman, the HNC approximation method has been used to calculate the atom-atom pair correlation functions of a state of liquid water. Although a stable and accurate solution to the HNC equation for the model is obtained using the Rossky-Dale algorithm, the structure and thermodynamics agree only crudely with the published molecular dynamics results for the same model and the same N, V, T state.

  16. Boiling-up of liquid nitrogen jet in water

    NASA Astrophysics Data System (ADS)

    Nakoryakov, V. E.; Tsoi, A. N.; Mezentsev, I. V.; Meleshkin, A. V.

    2014-06-01

    The hydrodynamic processes occurring at injection of cryogenic liquid into water pool were studied experimentally. Processes accompanying the phase transitions were registered. Data testify the developing pressure burst with an amplitude sufficient for possible formation of gas hydrates when methane is injected as a cryogenic fluid.

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

    SciTech Connect

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

    2005-09-12

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

  18. Molecular dynamics of the water liquid-vapor interface

    NASA Technical Reports Server (NTRS)

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

    1987-01-01

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

  19. 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

  20. Speciation analysis of mercury in water samples using dispersive liquid-liquid microextraction combined with high-performance liquid chromatography.

    PubMed

    Gao, Zhongben; Ma, Xiaoguo

    2011-09-19

    A novel approach for preconcentration and speciation analysis of trace amount of mercury from water samples was proposed by dispersive liquid-liquid microextraction (DLLME) coupled to high performance liquid chromatography with diode array detection (HPLC-DAD). Mercury species (Hg(2+), methylmercury (MeHg(+)) and phenylmercury (PhHg(+))) were complexed with dithizone (DZ) to form hydrophobic chelates and then extracted into the fine drops of extraction solvent dispersed in the aqueous sample by dispersive solvent. After extraction, the sedimented phase was analyzed by HPLC-DAD. Some important parameters affecting the DLLME such as extraction solvent and dispersive solvent type and volume, concentration of dithizone solution, sample pH, extraction time and salt effect were investigated. Ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate ([HMIM][PF(6)]) was found to be a suitable extractant for the chelates. Under the optimized conditions (extraction solvent: 70 μL of ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate ([HMIM][PF(6)]); dispersive solvent: 0.75 mL of methanol containing dithizone (0.02%, m/v); pH: 4; extraction time: 5 min; and without salt addition), the limits of detection for Hg(2+), MeHg(+) and PhHg(+) were 0.32, 0.96 and 1.91 μg L(-1) (SN(-1)=3) respectively, and the relative standard deviation (RSD) was between 4.1 and 7.3% (n=5). Three real water samples (tap water, river water and lake water) spiked with mercury species were detected by the developed method, and the relative recoveries obtained for Hg(2+), MeHg(+) and PhHg(+) were 89.6-101.3%, 85.6-102.0% and 81.3-97.6%, respectively. PMID:21819859

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

    NASA Astrophysics Data System (ADS)

    Stanley, H. Eugene

    2010-03-01

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

  2. Anisotropic behavior of water in ferroelectric liquid crystals.

    PubMed

    Singh, G; Choudhary, A; Prakash, G Vijaya; Biradar, A M

    2010-05-01

    The outcome of water addition in ferroelectric liquid crystal (FLC) has been investigated in uniform and defect-free homogeneous and homeotropically aligned monodomain sample cells from electro-optical and dielectric spectroscopic measurements. The lagging in optical response between nonconducting (spatially variable switching) and conducting (conventional switching) portions of water added FLC sample cell has been observed by frequency-dependent electro-optical studies. The bias-dependent water related new relaxation peak near the conventional Goldstone mode relaxation process has been observed only in the homogeneous alignment and not in the homeotropic one. Further, the significant increment in dielectric anisotropy as well as faster diffusion of water along long molecular axis than short molecular axis has also been monitored. These studies strongly suggest that the distribution of water is anisotropic in FLC medium and could be the reason for new relaxation peak in the water added FLC sample. PMID:20866247

  3. Removal of non-ionic organic pollutants from water via liquid-liquid extraction.

    PubMed

    López-Montilla, Juan C; Pandey, Samir; Shah, Dinesh O; Crisalle, Oscar D

    2005-05-01

    The removal of model pollutants bromocresol green (BG) and phenol from water is demonstrated via two liquid-liquid extraction methods. Both methods exploit selective interactions established by the pollutant molecule with a surfactant, oil, or alcohol, and are variants of the more general Winsor systems where the phases are in contact along an extremely large interfacial area. In the first method the surfactant and the co-surfactant move from a predominantly oil-in-water microemulsion (Winsor I), to a middle phase microemulsion (Winsor III), and finally to a water-in-oil microemulsion (Winsor II), as the physicochemical conditions of salinity, temperature or hydrophilic-lipophilic balance of the surfactant system are varied. This method achieves better than 99% removal of the pollutant BG from water. It is argued that the removal is produced upon increasing the salinity of the system because the interaction of BG with a medium chain-length alcohol drives it to move along with the alcohol to another phase. The second method, which is scalable to industrial levels, uses a spontaneously produced water-in-oil microemulsion with large interfacial area that appears after bringing in contact water and a pre-formed Winsor II or Winsor III microemulsion system containing different surfactants and oils. The method is applied to the removal of phenol from water, and it is found that systems with polar oils such as ethyl butyrate or with cationic surfactants such as stearyl trimethylammonium chloride are more efficient in removing phenol than systems with normal alkanes or anionic surfactants. It is also shown that a microemulsion formed using a polar oil performs better than using only the polar oil as the extraction solvent. Finally, the efficiency of the second liquid-liquid extraction method can be increased from 69% in a single-stage process to 83% in a two-stage process, using the same total amount of extraction solvent. PMID:15899289

  4. A continuous mixture of two different dimers in liquid water.

    PubMed

    Pardo, L C; Henao, A; Busch, S; Guàrdia, E; Tamarit, J Ll

    2014-11-28

    It is hitherto thought that liquid water is composed of tetrahedrally coordinated molecules with an asymmetric interaction of the central molecule with neighboring molecules. Kühne et al., Nat. Commun., 2013, 4, 1450 suggested that this asymmetry, energetic rather than geometric, is the cornerstone to reconcile the homogeneous and inhomogeneous viewpoints of liquid water. In order to investigate the geometric origin of that asymmetry, we have scrutinized Molecular Dynamics (MD) simulations of water through a careful analysis of the five-dimensional probability distribution function of Euler angles in which the relative positions and orientations of water molecules are obtained. We demonstrate that, beyond the ubiquitous tetrahedral structure with well-defined molecular dimers, there is a series of possible molecular orientations that define the structure. These orientations are generated by rotating the neighboring molecule around the O-H axis that is involved in the hydrogen bond scheme. Two of the possible orientations have a higher probability, giving rise to two kinds of dimers: one close to the lowest energy of a water dimer in vacuum with an almost perpendicular alignment of the dipole moment, and another one with a parallel orientation of the dipole moment which is less tightly bound. These two different dimers have an effect on the orientation of further water dipole moments up to a distance of ≈6 Å. Liquid water can therefore be described as a continuous mixture of two kinds of dimers where the hydrogen bonds have the same geometry but the interaction energies are different due to a different mutual orientation of the dipoles of the participating water molecules. PMID:25308564

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

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

  6. Complete Wetting of Pt(111) by Nanoscale Liquid Water Films.

    PubMed

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

    2016-02-01

    The melting and wetting of nanoscale crystalline ice films on Pt(111) that are transiently heated above the melting point in ultrahigh vacuum (UHV) using nanosecond laser pulses are studied with infrared reflection absorption spectroscopy and Kr temperature-programmed desorption. The as-grown crystalline ice films consist of nanoscale ice crystallites embedded in a hydrophobic water monolayer. Upon heating, these crystallites melt to form nanoscale droplets of liquid water. Rapid cooling after each pulse quenches the films, allowing them to be interrogated with UHV surface science techniques. With each successive heat pulse, these liquid drops spread across the surface until it is entirely covered with a multilayer water film. These results, which show that nanoscale water films completely wet Pt(111), are in contrast to molecular dynamics simulations predicting partial wetting of water drops on a hydrophobic water monolayer. The results provide valuable insights into the wetting characteristics of nanoscale water films on a clean, well-characterized, single-crystal surface. PMID:26785059

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

    PubMed Central

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

    2014-01-01

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

  8. Selective Area Modification of Silicon Surface Wettability by Pulsed UV Laser Irradiation in Liquid Environment.

    PubMed

    Liu, Neng; Moumanis, Khalid; Dubowski, Jan J

    2015-01-01

    The wettability of silicon (Si) is one of the important parameters in the technology of surface functionalization of this material and fabrication of biosensing devices. We report on a protocol of using KrF and ArF lasers irradiating Si (001) samples immersed in a liquid environment with low number of pulses and operating at moderately low pulse fluences to induce Si wettability modification. Wafers immersed for up to 4 hr in a 0.01% H2O2/H2O solution did not show measurable change in their initial contact angle (CA) ~75°. However, the 500-pulse KrF and ArF lasers irradiation of such wafers in a microchamber filled with 0.01% H2O2/H2O solution at 250 and 65 mJ/cm(2), respectively, has decreased the CA to near 15°, indicating the formation of a superhydrophilic surface. The formation of OH-terminated Si (001), with no measurable change of the wafer's surface morphology, has been confirmed by X-ray photoelectron spectroscopy and atomic force microscopy measurements. The selective area irradiated samples were then immersed in a biotin-conjugated fluorescein-stained nanospheres solution for 2 hr, resulting in a successful immobilization of the nanospheres in the non-irradiated area. This illustrates the potential of the method for selective area biofunctionalization and fabrication of advanced Si-based biosensing architectures. We also describe a similar protocol of irradiation of wafers immersed in methanol (CH3OH) using ArF laser operating at pulse fluence of 65 mJ/cm(2) and in situ formation of a strongly hydrophobic surface of Si (001) with the CA of 103°. The XPS results indicate ArF laser induced formation of Si-(OCH3)x compounds responsible for the observed hydrophobicity. However, no such compounds were found by XPS on the Si surface irradiated by KrF laser in methanol, demonstrating the inability of the KrF laser to photodissociate methanol and create -OCH3 radicals. PMID:26575362

  9. Liquid-vapor oscillations of water in hydrophobic nanopores

    NASA Astrophysics Data System (ADS)

    Beckstein, Oliver; Sansom, Mark S. P.

    2003-06-01

    Water plays a key role in biological membrane transport. In ion channels and water-conducting pores (aquaporins), one-dimensional confinement in conjunction with strong surface effects changes the physical behavior of water. In molecular dynamics simulations of water in short (0.8 nm) hydrophobic pores the water density in the pore fluctuates on a nanosecond time scale. In long simulations (460 ns in total) at pore radii ranging from 0.35 to 1.0 nm we quantify the kinetics of oscillations between a liquid-filled and a vapor-filled pore. This behavior can be explained as capillary evaporation alternating with capillary condensation, driven by pressure fluctuations in the water outside the pore. The free-energy difference between the two states depends linearly on the radius. The free-energy landscape shows how a metastable liquid state gradually develops with increasing radius. For radii > 0.55 nm it becomes the globally stable state and the vapor state vanishes. One-dimensional confinement affects the dynamic behavior of the water molecules and increases the self diffusion by a factor of 2-3 compared with bulk water. Permeabilities for the narrow pores are of the same order of magnitude as for biological water pores. Water flow is not continuous but occurs in bursts. Our results suggest that simulations aimed at collective phenomena such as hydrophobic effects may require simulation times >50 ns. For water in confined geometries, it is not possible to extrapolate from bulk or short time behavior to longer time scales.

  10. Water Tank with Capillary Air/Liquid Separation

    NASA Technical Reports Server (NTRS)

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

    2010-01-01

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

  11. A single-site multipole model for liquid water

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  12. A single-site multipole model for liquid water.

    PubMed

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

    2016-07-21

    Accurate and efficient empirical potential energy models that describe the atomistic interactions between water molecules in the liquid phase are essential for computer simulations of many problems in physics, chemistry, and biology, especially when long length or time scales are important. However, while models with non-polarizable partial charges at four or five sites in a water molecule give remarkably good values for certain properties, deficiencies have been noted in other properties and increasing the number of sites decreases computational efficiency. An alternate approach is to utilize a multipole expansion of the electrostatic potential due to the molecular charge distribution, which is exact outside the charge distribution in the limits of infinite distances or infinite orders of multipoles while partial charges are a qualitative representation of electron density as point charges. Here, a single-site multipole model of water is presented, which is as fast computationally as three-site models but is also more accurate than four- and five-site models. The dipole, quadrupole, and octupole moments are from quantum mechanical-molecular mechanical calculations so that they account for the average polarization in the liquid phase, and represent both the in-plane and out-of-plane electrostatic potentials of a water molecule in the liquid phase. This model gives accurate thermodynamic, dynamic, and dielectric properties at 298 K and 1 atm, as well as good temperature and pressure dependence of these properties. PMID:27448890

  13. Liquid Hot Water Pretreatment of Olive Tree Pruning Residues

    NASA Astrophysics Data System (ADS)

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

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

  14. Hydrophobicity and hydrogen-bonded network in liquid water

    NASA Astrophysics Data System (ADS)

    Li, Je-Luen; Wingreen, Ned; Tang, Chao; Car, Roberto

    2004-03-01

    Hydrophobicity is the main driving force behind numerous important biological processes at molecular level, including protein folding and the formation of biological membranes. Yet few experimental probes can measure the local water structure around a hydrophobic solute, and our understanding of the detailed structure of hydrophobic hydration has to rely on molecular dynamics simulation. As a model system, several groups studied two methane molecules in liquid water and obtained the potential of mean force using Lennard-Jones potential and various water models. However, hydrophobic effect critically depends on the description of hydrogen-bonded network, and classical simulations may not be sufficient to descirbe the forming and breaking of hydrogen bonds. In this work, we apply ab initio molecular dynamics simulations to study this model system. Besides the potential of mean force between 2 methanes in water, the role of the local water structure will be highlighted.

  15. Interplay between Microscopic Diffusion and Local Structure of Liquid Water

    SciTech Connect

    Cunsolo, A.; Orecchini, A; Petrillo, C.; Sacchetti, F.

    2010-11-29

    We present a quasielastic neutron scattering (QENS) study of single-particle dynamics in pure water, measured at temperatures between 256 and 293 K along an isobaric path at 200 MPa. A thorough analysis of the spectral line shapes reveals a departure from simple models of continuous or jump diffusion, with such an effect becoming stronger at lower temperatures. We show that such a diverging trend of dynamical quantities upon cooling closely resembles the divergent (anomalous) compressibility observed in water by small-angle diffraction. Such an analogy suggests an interesting interplay between single-particle diffusion and structural arrangements in liquid water, both bearing witness of the well-known water anomalies. In particular, a fit of dynamical parameters by a Vogel-Tammann-Fulcher law provides a critical temperature of about 220 K, interestingly close to the hypothesized position of the second critical point of water and to the so-called Widom line.

  16. An eight-month climatology of marine stratocumulus cloud fraction, albedo, and integrated liquid water

    NASA Technical Reports Server (NTRS)

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

    1990-01-01

    As part of the FIRE/Extended Time Observations (ETO) program, extended time observations were made at San Nicolas Island (SNI) from March to October, 1987. Hourly averages of air temperature, relative humidity, wind speed and direction, solar irradiance, and downward longwave irradiance were recorded. The radiation sensors were standard Eppley pyranometers (shortwave) and pyrgeometers (longwave). The SNI data were processed in several ways to deduce properties of the stratocumulus covered marine boundary layer (MBL). For example, from the temperature and humidity the lifting condensation level, which is an estimate of the height of the cloud bottom, can be computed. A combination of longwave irradiance statistics can be used to estimate fractional cloud cover. An analysis technique used to estimate the integrated cloud liquid water content (W) and the cloud albedo from the measured solar irradiance is also described. In this approach, the cloud transmittance is computed by dividing the irradiance measured at some time by a clear sky value obtained at the same hour on a cloudless day. From the transmittance and the zenith angle, values of cloud albedo and W are computed using the radiative transfer parameterizations of Stephens (1978). These analysis algorithms were evaluated with 17 days of simultaneous and colocated mm-wave (20.6 and 31.65 GHz) radiometer measurements of W and lidar ceilometer measurements of cloud fraction and cloudbase height made during the FIRE IFO. The algorithms are then applied to the entire data set to produce a climatology of these cloud properties for the eight month period.

  17. Stable and water-tolerant ionic liquid ferrofluids.

    PubMed

    Jain, Nirmesh; Zhang, Xiaoli; Hawkett, Brian S; Warr, Gregory G

    2011-03-01

    Ionic liquid ferrofluids have been prepared containing both bare and sterically stabilized 8-12 nm diameter superparamagnetic iron oxide nanoparticles, which remain stable for several months in both protic ethylammonium and aprotic imidazolium room-temperature ionic liquids. These ferrofluids exhibit spiking in static magnetic fields similar to conventional aqueous and nonaqueous ferrofluids. Ferrofluid stability was verified by following the flocculation and settling behavior of dilute nanoparticle dispersions. Although bare nanoparticles showed excellent stability in some ILs, they were unstable in others, and exhibited limited water tolerance. Stability was achieved by incorporating a thin polymeric steric stabilization layer designed to be compatible with the IL. This confers the added benefit of imbuing the ILF with a high tolerance to water. PMID:21338083

  18. Bulk and interfacial liquid water as a transient network.

    PubMed

    Jahn, Miriam; Gekle, Stephan

    2015-11-01

    The special macroscopic properties of liquid water stem from its structure as a complex network of molecules connected by hydrogen bonds. While the dynamics of single molecules within this network has been extensively investigated, only little attention has been paid to the closed loops (meshes) of hydrogen-bonded molecules which determine the network topology. Using molecular dynamics simulations we analyze the size, shape, geometrical arrangement, and dynamical stability of loops containing up to 10 hydrogen bonds. We find that six-membered loops in liquid water even at room temperature retain a striking similarity with the well-known structure of ice. Analyzing the network dynamics we find that rings of more than five hydrogen bonds are stabilized compared to a random collection containing the same number of single bonds. We finally show that in the vicinity of hydrophobic and hydrophilic interfaces loops arrange in a preferred orientation. PMID:26651669

  19. Time-dependent density fluctuations in liquid water

    NASA Astrophysics Data System (ADS)

    Waldron, Conor J.; English, Niall J.

    2016-04-01

    Temporal system-mass-density fluctuation analysis was performed on liquid-water molecular-dynamics simulations at ambient pressure and 200 and 300 K, in three increasingly-large systems. A prominent mode in system-density fluctuations was observed at molecular-librational frequencies of ∼600-800 cm-1 (with pronounced temperature dependence). This mode displayed marked system-size dependence, disappearing for larger systems. Persistent system-density fluctuations were clearly evident at 10-11 cm-1 for all systems and temperatures, with lower-amplitude 'overtones' evident only in larger systems. It is conjectured that this reflects ∼3 ps timescales observed in earlier studies for dissipation of local-density fluctuations in liquid water in this 200-300 K temperature range.

  20. Nucleationand surface induced crystallization in supercooled liquid water

    NASA Astrophysics Data System (ADS)

    Russo, Giovanna; Li, Tianshu; Donadio, Davide; Galli, Giulia

    2010-03-01

    Understanding crystallization of water into ice is a very challenging problem, both experimentally and theoretically; in particular, the spatial and temporal resolutions required to characterize the crystallization process at the atomic scale are not yet accessible to experiment. Here we employ a combination of molecular dynamics simulations and advanced sampling techniques to study nucleation in supercooled liquid water. Recently, such an approach has been successfully applied to study nucleation in supercooled liquid silicon [1,2]. The results of our simulations, carried out using a coarse grain potential [3], are used to analyze nucleation rates at various temperatures and to investigate the role played by the presence of surfaces in the freezing processes. [4pt] [1] T. Li, D. Donadio and G. Galli, Nat. Mat. 9, 726730 (2009)[0pt] [2] T. Li, D. Donadio and G. Galli, J. Chem. Phys., in press[0pt] [3] V. Molinero and E. B. Moore J. Phys. Chem. B 113, 40084016 (2009)

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

    PubMed

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

    2016-03-01

    Using the ionic liquid (IL) 1-octyl-3-methylimidazolium hexafluorophosphate as the extractant and methanol as the dispersion solvent, a dispersive liquid-liquid microextraction method was developed to extract silver nanoparticles (AgNPs) from environmental water samples. Parameters that influenced the extraction efficiency such as IL concentration, pH and extraction time were optimized. Under the optimized conditions, the highest extraction efficiency for AgNPs was above 90% with an enrichment factor of >90. The extracted AgNPs in the IL phase were identified by transmission electron microscopy and ultraviolet-visible spectroscopy, and quantified by inductively coupled plasma mass spectrometry after microwave digestion, with a detection limit of 0.01μg/L. The spiked recovery of AgNPs was 84.4% with a relative standard deviation (RSD) of 3.8% (n=6) at a spiked level of 5μg/L, and 89.7% with a RSD of 2.2% (n=6) at a spiked level of 300μg/L, respectively. Commonly existed environmental ions had a very limited influence on the extraction efficiency. The developed method was successfully applied to the analysis of AgNPs in river water, lake water, and the influent and effluent of a wastewater treatment plant, with recoveries in the range of 71.0%-90.9% at spiking levels of 0.11-4.7μg/L. PMID:26969067

  2. Investigating evidence of geologically recent liquid water on Mars

    NASA Astrophysics Data System (ADS)

    Kolb, Kelly Jean

    2009-06-01

    Geologically young gullies have been proposed to be evidence of recent liquid water on Mars. This dissertation details work I have done to address issues surrounding the Martian gullies and recent water on Mars. In order to determine the elevations at which gullies occur, I created a set of Interactive Data Language programs and Unix C-shell scripts to coregister Mars Orbiter Laser Altimeter topography with high resolution Mars images. My scripts represent the first public method that does this. Recently, the Mars Orbiter Camera detected changes in the form of new bright deposits in two gullies. The High Resolution Imaging Science Experiment (HiRISE) camera detected more gullies with bright deposits. I used my scripts to identify some of the best candidates for liquid water formation based on their shallow average slopes. A Digital Elevation Model (DEM) was produced using HiRISE stereo images of my selected candidates in Hale Crater. I model two gullies with bright slope deposits in Hale Crater and find that both water- rich and sediment-rich flows could reproduce the bright deposits' locations and morphologies. Since liquid water is rarely stable on Mars today, I suggest that dry flows formed the bright deposits. The channel gradient where flows deposit, the apex slope, can tell us whether a flow was likely dry and non-fluidized (slopes ~21°) or fluidized (shallower slopes). I measured the apex slope of 75 gullies located in five HiRISE DEMs. I find that 72% of the gullies studied were likely emplaced by a fluidized flow. I also find that modified gullies are more likely to have a fluidized emplacement than relatively fresh gullies. My results suggest that there is no evidence requiring water-rich flows in gullies today. Understanding the concept of water on Mars is crucial to understanding NASA's Mars Exploration Strategy, "Follow the Water." I undertook a study investigating alternative conceptions about water on Mars held by middle school science teachers to

  3. Phase Behavior and Collective Dynamics of Liquid Water

    NASA Astrophysics Data System (ADS)

    Sastry, Srikanth

    The unusual properties of liquid water have been analyzed predominantly in terms of the hydrogen bond network which characterizes its microscopic structure. Properties of the hydrogen bond network, with physically motivated additional assumptions, have been shown to describe well most static and dynamic properties of water. However, there are important exceptions where no conclusive analysis in terms of the hydrogen bond network has been carried out. Two such exceptions are addressed in this thesis. The phase behaviour of water--in particular the limiting behavior of the metastable continuations of the liquid--is an open question. To explain the apparent divergence of many thermodynamic and microscopic quantities on supercooling, Speedy and Angell proposed that these divergences are due to an absolute limit of stability of the liquid phase, conjecturing further that such limits of stability form a continuous reentrant locus in the P-T plane. In an attempt to address this conjecture on the basis of microscopic behavior in water, a lattice gas model is developed, which exhibits water-like behavior and has phases corresponding to the real system. The liquid gas spinodal is seen to be reentrant, in accordance with the stability limit conjecture. However, the limit of stability upon supercooling in the model, while consistent with experiments, is found to differ qualitatively from the prediction, displaying no singular behavior of thermodynamic quantities. In computer and experimental studies of sound propagation in water at high wavenumbers, the sound velocity is found to be about twice the hydrodynamic value. It was proposed that this mode propagates on the hydrogen bond network and occurs due to the connectivity properties of the network. This question is studied through Molecular Dynamics simulations of the liquid and normal model analysis of inherent structures. The results show that only one longitudinal sound mode is present. However, an attempt is made to go

  4. Interfacial Transport Phenomena Stability in Liquid-Metal/Water Systems

    SciTech Connect

    Michael Corradini; Anderson, Mark; Bonazza, Riccardo; Cho, D. H.

    2002-12-19

    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 characteristics of such a molten metal/water direct contact heat exchanger, a series of experiments were performed in both a 1-D and 2-d experimental facility. The facilities primarily consist of a liquid-metal melt chamber, heated test section, water pumping/injection system, and steam suppression tank (condenser). A real-time high energy X-ray imaging system along with several temperature measurements and flow measurements were developed and utilized to measure the multiphase flow and obtain an empirical database of local as well as overall system parameters. Results have found volumetric void fraction between 0.05-0.2, overall volumetric heat transfer coefficient ranging from 4-20 kW/m3K, evaporation zone lengths on the order of 10cm and local heat transfer coefficients varying between 500-5000 W/m2K depending on the inlet water injection conditions and system pressure. Time-dependent void fraction distribution and generated water-vapor bubble characteristics (i.e. bubble formation rate, bubble rise velocity, and bubble surface area) were measured using an X-ray image analysis technique. These measurements aided in the determination of the volumetric thermal performance as well as well as the first detailed information on local interfacial phenomenon. This information in turn resulted in the first experimental measurements of the local heat transfer coefficient

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

    PubMed

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

    2015-03-01

    Ionic-liquid-based dispersive liquid-liquid microextraction in combination with high-performance liquid chromatography and diode array detection has been proposed for the simultaneous analysis of four multiclass pesticide residues including carbaryl, methidathion, chlorothalonil, and ametryn from water samples. The major experimental parameters including the type and volume of ionic liquid, sample pH, type, and volume of disperser solvent and cooling time were investigated and optimum conditions were established. Under the optimum experimental conditions, limits of detection and quantification of the method were in the range of 0.1-1.8 and 0.4-5.9 μg/L, respectively, with satisfactory enrichment factors ranging from 10-20. The matrix-matched calibration curves, which were constructed for lake water, as a representative matrix were linear over wide range with coefficients of determination of 0.996 or better. Intra- and interday precisions, expressed as relative standard deviations, were in the range of 1.1-9.7 and 3.1-7.8%, respectively. The relative recoveries of the spiked environmental water samples at one concentration level were in the range of 77-102%. The results of the present study revealed that the proposed method is simple, fast, and uses environmentally friendly extraction solvent for the analysis of the target pesticide residues in environmental water samples. PMID:25641819

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

    NASA Technical Reports Server (NTRS)

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

    2006-01-01

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

  7. Thermally driven electrokinetic energy conversion with liquid water microjets

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

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

  8. Measuring Low Concentrations of Liquid Water in Soil

    NASA Technical Reports Server (NTRS)

    Buehler, Martin

    2009-01-01

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

  9. Electrons and Hydrogen-Bond Connectivity in Liquid Water

    SciTech Connect

    Fernandez-Serra, M.V.; Artacho, Emilio

    2006-01-13

    The network connectivity in liquid water is revised in terms of electronic signatures of hydrogen bonds (HBs) instead of geometric criteria, in view of recent x-ray absorption studies. The analysis is based on ab initio molecular-dynamics simulations at ambient conditions. Even if instantaneous threadlike structures are observed in the electronic network, they continuously reshape in oscillations reminiscent of the r and t modes in ice ({tau}{approx}170 fs). However, two water molecules initially joined by a HB remain effectively bound over many periods regardless of its electronic signature.

  10. Zenithal alignment of liquid crystal on homeotropic polyimide film irradiated by ion beam.

    PubMed

    Choi, Yoonseuk; Yoon, Tae-Hoon; Kwon, Jin Hyuk; Yi, Jonghoon; Gwag, Jin Seog

    2012-01-01

    We investigate the pretilt characteristics of a nematic liquid crystal [LC] in terms of ion beam exposure conditions on the homeotropic polyimide alignment layer. The pretilt angle of LCs in the case of high-energy ion beam treatment was decreased considerably almost the same to that of the homogenous alignment layer though we used homeotropic polyimide film at first. Increasing irradiating energy, we could control the pretilt from 90° to 1° with several steps. We believe that this is because the side chain with hydrophobicity in the used polyimide is broken by ion beam exposure. To confirm it, contact angle measurement was carried out. With this result, we can easily control the LC pretilt in the pixel with appropriate exposure conditions which is critical to achieve excellent electrooptic characteristics and good image quality. PMID:22221956

  11. Zenithal alignment of liquid crystal on homeotropic polyimide film irradiated by ion beam

    PubMed Central

    2012-01-01

    We investigate the pretilt characteristics of a nematic liquid crystal [LC] in terms of ion beam exposure conditions on the homeotropic polyimide alignment layer. The pretilt angle of LCs in the case of high-energy ion beam treatment was decreased considerably almost the same to that of the homogenous alignment layer though we used homeotropic polyimide film at first. Increasing irradiating energy, we could control the pretilt from 90° to 1° with several steps. We believe that this is because the side chain with hydrophobicity in the used polyimide is broken by ion beam exposure. To confirm it, contact angle measurement was carried out. With this result, we can easily control the LC pretilt in the pixel with appropriate exposure conditions which is critical to achieve excellent electrooptic characteristics and good image quality. PMID:22221956

  12. Zenithal alignment of liquid crystal on homeotropic polyimide film irradiated by ion beam

    NASA Astrophysics Data System (ADS)

    Choi, Yoonseuk; Yoon, Tae-Hoon; Kwon, Jin Hyuk; Yi, Jonghoon; Gwag, Jin Seog

    2012-01-01

    We investigate the pretilt characteristics of a nematic liquid crystal [LC] in terms of ion beam exposure conditions on the homeotropic polyimide alignment layer. The pretilt angle of LCs in the case of high-energy ion beam treatment was decreased considerably almost the same to that of the homogenous alignment layer though we used homeotropic polyimide film at first. Increasing irradiating energy, we could control the pretilt from 90° to 1° with several steps. We believe that this is because the side chain with hydrophobicity in the used polyimide is broken by ion beam exposure. To confirm it, contact angle measurement was carried out. With this result, we can easily control the LC pretilt in the pixel with appropriate exposure conditions which is critical to achieve excellent electrooptic characteristics and good image quality.

  13. Liquid water can slip on a hydrophilic surface

    PubMed Central

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

    2011-01-01

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

  14. Reactions of recoil nitrogen-13 atoms in the ethanol-water system. Formation of [{sup 13}N]NH{sub 3} upon irradiation of water and dilute aqueous solutions of ethanol under a pressure of various gases

    SciTech Connect

    Korsakov, M.V.; Krasikova, R.N.; Fedorova, O.S.

    1995-07-01

    The influence of the nature and pressure of a gas (helium, hydrogen) contacting with a solution on radiochemical yield of the {sup 13}N-labeled products of nuclear-chemical and radiolytic reactions occurring upon irradiation of water and dilute aqueous solution of ethanol by 17-MeV protons was examined. It was shown that irradiation of water under hydrogen pressure, about 50% of recoil nitrogen-13 atoms are stabilized in the gas phase in the form of [{sup 13}N]N{sub 2}, and the main product in the liquid phase is ammonia-{sup 13}N.

  15. A facility for studying irradiation accelerated corrosion in high temperature water

    NASA Astrophysics Data System (ADS)

    Raiman, Stephen S.; Flick, Alexander; Toader, Ovidiu; Wang, Peng; Samad, Nassim A.; Jiao, Zhijie; Was, Gary S.

    2014-08-01

    A facility for the study of irradiation accelerated corrosion in high temperature water using in situ proton irradiation has been developed and validated. A specially designed beamline and flowing-water corrosion cell added to the 1.7 MV tandem accelerator at the Michigan Ion Beam Laboratory provide the capability to study the simultaneous effects of displacement damage and radiolysis on corrosion. A thin sample serves as both a “window” into the corrosion cell through which the proton beam passes completely, and the sample for assessing irradiation accelerated corrosion. The facility was tested by irradiating stainless steel samples at beam current densities between 0.5 and 10 μA/cm2 in 130 °C and 320 °C deaerated water, and 320 °C water with 3 wppm H2. Increases in the conductivity and dissolved oxygen content of the water varied with the proton beam current, suggesting that proton irradiation was accelerating the corrosion of the sample. Conductivity increases were greatest at 320 °C, while DO increases were highest at 130 °C. The addition of 3 wppm H2 suppressed DO below detectable levels. The facility will enable future studies into the effect of irradiation on corrosion in high temperature water with in situ proton irradiation.

  16. Mutagenicity test of gamma-irradiated humus in aqueous solution for the safety evaluation of irradiated water

    NASA Astrophysics Data System (ADS)

    Furuta, Masakazu; Hosokawa, Yasushi; Fujita, Shin'ichi; Nagata, Yoshio; Katayama, Tadashi; Shiomi, Nobuyuki; Toratani, Hirokazu; Takeda, Atsuhiko

    Fulvic acid and humic acid which are difficult to be removed from water by ordinary purification processes were degraded by 60Co gamma-irradiation and the partially degraded samples were examined for the mutagenetic activity using Salmonella mutagenicity test. No mutagenic activity was detected even in 1000-fold concentrated samples. Addition of S9 mix did not stimulate mutagenicity either. These results revealed that 60Co gamma irradiation did not produce mutagenetic substances from the partially degraded fulvic and humic acids at detectable quantities.

  17. Dynamic imaging of a single gold nanoparticle in liquid irradiated by off-resonance femtosecond laser.

    PubMed

    Boutopoulos, Christos; Hatef, Ali; Fortin-Deschênes, Matthieu; Meunier, Michel

    2015-07-21

    Plasmonic nanoparticles can lead to extreme confinement of the light in the near field. This unique ability of plasmonic nanoparticles can be used to generate nanobubbles in liquid. In this work, we demonstrate with single-particle monitoring that 100 nm gold nanoparticles (AuNPs) irradiated by off-resonance femtosecond (fs) laser in the tissue therapeutic optical window (λ = 800 nm), can act as a durable nanolenses in liquid and provoke nanocavitation while remaining intact. We have employed combined ultrafast shadowgraphic imaging, in situ dark field imaging and dynamic tracking of AuNP Brownian motion to ensure the study of individual AuNPs/nanolenses under multiple fs laser pulses. We demonstrate that 100 nm AuNPs can generate multiple, highly confined (radius down to 550 nm) and transient (life time < 50 ns) nanobubbles. The latter is of significant importance for future development of in vivo AuNP-assisted laser nanosurgery and theranostic applications, where AuNP fragmentation should be avoided to prevent side effects, such as cytotoxicity and immune system's response. The experimental results have been correlated with theoretical modeling to provide an insight to the AuNP-safe cavitation mechanism as well as to investigate the deformation mechanism of the AuNPs at high laser fluences. PMID:26104482

  18. Electronic stopping in liquid water from first principles: An application of large-scale real-time TDDFT simulations

    NASA Astrophysics Data System (ADS)

    Reeves, Kyle; Yao, Yi; Kanai, Yosuke

    Electronic stopping describes the transfer of energy from a highly-energetic charged particle to electrons in a material. This process induces massive electronic excitations via interaction between the material and the highly localized electric field from the charged particle. Understanding this phenomenon in condensed matter systems under proton irradiation has implications in various modern technologies. First-principles simulations, based on our recently-developed large-scale real-time time-dependent density functional theory approach, provide a detailed description of how electrons are excited via a non-equilibrium energy transfer from protons on the attosecond time scale. We apply this computational approach to the important case of liquid water under proton irradiation. Our work reveals several key features of the excitation dynamics at the mesoscopic and molecular levels which support a clearer understanding of the water radiolysis mechanism under proton irradiation. Importantly, we will demonstrate a first-principles determination of the energy transfer rate, (i.e. electronic stopping power) in liquid water, and a comparison to existing empirical models will be presented. We will conclude by discussing how the exchange-correlation approximation influences the calculation of the electronic stopping power.

  19. Transformation of acidic poorly water soluble drugs into ionic liquids.

    PubMed

    Balk, Anja; Wiest, Johannes; Widmer, Toni; Galli, Bruno; Holzgrabe, Ulrike; Meinel, Lorenz

    2015-08-01

    Poor water solubility of active pharmaceutical ingredients (API) is a major challenge in drug development impairing bioavailability and therapeutic benefit. This study is addressing the possibility to tailor pharmaceutical and physical properties of APIs by transforming these into tetrabutylphosphonium (TBP) salts, including the generation of ionic liquids (IL). Therefore, poorly water soluble acidic APIs (Diclofenac, Ibuprofen, Ketoprofen, Naproxen, Sulfadiazine, Sulfamethoxazole, and Tolbutamide) were converted into TBP ILs or low melting salts and compared to the corresponding sodium salts. Free acids and TBP salts were characterized by NMR and IR spectroscopy, DSC and XRPD, DVS and dissolution rate measurements, release profiles, and saturation concentration measurements. TBP salts had lower melting points and glass transition temperatures and dissolution rates were improved up to a factor of 1000 as compared to the corresponding free acid. An increase in dissolution rates was at the expense of increased hygroscopicity. In conclusion, the creation of TBP ionic liquids or solid salts from APIs is a valuable concept addressing dissolution and solubility challenges of poorly water soluble acidic compounds. The data suggested that tailor-made counterions may substantially expand the formulation scientist's armamentarium to meet challenges of poorly water soluble drugs. PMID:25976317

  20. A new analytic equation of state for liquid water

    NASA Astrophysics Data System (ADS)

    Jeffery, C. A.; Austin, P. H.

    1999-01-01

    We develop a new analytical equation of state for water based on the Song, Mason, and Ihm equation of state and Poole et al.'s simple model of the free energy of strong tetrahedral hydrogen bonds. Repulsive and attractive forces are modeled using a modification of the Weeks-Chandler-Anderson decomposition of the pair potential, with closed tetrahedral hydrogen bonds contributing both internal energy and entropy to the free energy of water. Strong tetrahedral hydrogen bonds are modeled explicitly using a simplified partition function. The resulting equation of state is 20-30 times more accurate than equivalent simple cubic equations of state over a wide range of pressures (0.1→3000 bar) and temperatures (-34→1200 °C) including the supercooled region. The new equation of state predicts a second liquid-liquid critical point at pC'=0.954 kbar, ρC'=1.045 g cm-3 and TC'=228.3 K. The temperature of this second critical point is above the homogeneous freezing temperature at 1 kbar, thus this region of the phase diagram may be experimentally accessible. The phase diagram also suggests that the homogeneous nucleation temperature above 1.2 kbar may be determined by a phase transition from high-density water to low-density water.

  1. Calculation of heavy-ion tracks in liquid water

    SciTech Connect

    Hamm, R.N.; Turner, J.E.; Ritchie, R.H.; Wright, H.A.

    1985-01-01

    Detailed Monte Carlo calculations are presented of proton and alpha-particle tracks in liquid water. The computations treat the interactions of the primary particle and all secondary electrons on a statistical, event-by-event basis to simulate the initial physical changes that accompany the passage of an ion through water. Our methods for obtaining the cross sections needed for such calculations are described. Inelastic scattering probabilities (inverse mean free paths) are derived from a complex dielectric response function constructed for liquid water, based on experimental and theoretical data. Examples of partial cross sections for ionization and excitation by protons are shown. The computation of electron transport and energy loss includes exchange, elastic scattering, and a scheme for the delocalization of energy shared collectively by a large number of electrons in the condensed medium. Several examples of calculated proton and alpha-particle tracks are presented and discussed. The meaning and significance of the concept of a ''track core'' is briefly addressed in the light of this work. The present paper treats only the initial, physical changes produced by radiation in water (in approx. 10/sup -15/ sec in local regions of a track). The work described here is used in calculations that we have reported in other publications on the later chemical development of charged-particle tracks. 10 refs., 6 figs.

  2. Fractionation of sugar cane with hot, compressed, liquid water

    SciTech Connect

    Allen, S.G.; Kam, L.C.; Zemann, A.J.; Antal, M.J. Jr.

    1996-08-01

    Sugar-cane bagasse and leaves (10--15 g oven-dry basis) were fractionated without size reduction by a rapid (45 s to 4 min), immersed percolation using only hot (190--230 C), compressed (P > P{sub sat}), liquid water (0.6--1.2 kg). Over 50% of the biomass could be solubilized. All of the hemicellulose, together with much of the acid-insoluble lignin in the bagasse (>60%), was solubilized, while less than 10% of the cellulose entered the liquid phase. Moreover, recovery of the hemicellulose as monomeric sugars (after a mild posthydrolysis) exceeded 80%. Less than 5% of the hemicellulose was converted to furfural. Percolation beyond that needed to immerse the biomass in hot liquid water did not result in increased solubilization. The yield of lignocellulosic residue was also not sensitive to the form of the sugar cane used (bagasse or leaves) or its moisture content (8--50%). Commercial applications for this fractionation process include the pretreatment of lignocellulosics for bioconversion to ethanol and the production of pulp and paper products.

  3. Transient liquid water and water activity at Gale crater on Mars

    NASA Astrophysics Data System (ADS)

    Martín-Torres, F. Javier; Zorzano, María-Paz; Valentín-Serrano, Patricia; Harri, Ari-Matti; Genzer, Maria; Kemppinen, Osku; Rivera-Valentin, Edgard G.; Jun, Insoo; Wray, James; Bo Madsen, Morten; Goetz, Walter; McEwen, Alfred S.; Hardgrove, Craig; Renno, Nilton; Chevrier, Vincent F.; Mischna, Michael; Navarro-González, Rafael; Martínez-Frías, Jesús; Conrad, Pamela; McConnochie, Tim; Cockell, Charles; Berger, Gilles; R. Vasavada, Ashwin; Sumner, Dawn; Vaniman, David

    2015-05-01

    Water is a requirement for life as we know it. Indirect evidence of transient liquid water has been observed from orbiter on equatorial Mars, in contrast with expectations from large-scale climate models. The presence of perchlorate salts, which have been detected at Gale crater on equatorial Mars by the Curiosity rover, lowers the freezing temperature of water. Moreover, perchlorates can form stable hydrated compounds and liquid solutions by absorbing atmospheric water vapour through deliquescence. Here we analyse relative humidity, air temperature and ground temperature data from the Curiosity rover at Gale crater and find that the observations support the formation of night-time transient liquid brines in the uppermost 5 cm of the subsurface that then evaporate after sunrise. We also find that changes in the hydration state of salts within the uppermost 15 cm of the subsurface, as measured by Curiosity, are consistent with an active exchange of water at the atmosphere-soil interface. However, the water activity and temperature are probably too low to support terrestrial organisms. Perchlorates are widespread on the surface of Mars and we expect that liquid brines are abundant beyond equatorial regions where atmospheric humidity is higher and temperatures are lower.

  4. Surface composition variation and high-vacuum performance of DLC/ILs solid-liquid lubricating coatings: Influence of space irradiation

    NASA Astrophysics Data System (ADS)

    Liu, Xiufang; Wang, Liping; Pu, Jibin; Xue, Qunji

    2012-08-01

    In this paper, we fabricated a DLC/ionic liquid (DLC/ILs) solid-liquid lubricating coating and investigated the effect of atomic oxygen (AO), ultraviolet (UV), proton and electron irradiations on composition, structure, morphology and tribological properties of the DLC/ILs solid-liquid lubricating coatings. A ground-based simulation facility was employed to carry out the irradiation experiments. X-ray photoelectron spectroscope (XPS), Raman spectra, and Fourier Transform Infrared Spectroscopy (FTIR) were used to analyzed the structure and composition changes of DLC film and IL lubricant before and after irradiations. The tribological behavior of the DLC/ILs solid-liquid lubricating coating before and after irradiations was investigated by a vacuum tribometer with the pressure of 10-5 Pa. The experimental results revealed that irradiations induced the structural changes, including oxidation, bond break and crosslinking reactions of DLC film and IL lubricant. The damage of proton and AO irradiations to lubricating materials were the most serious, and UV irradiation was the slightest. After irradiations, the friction coefficient of the solid-liquid lubricating coatings decreased (except for AO irradiation), but the disc wear rate increased compared with non-irradiation coatings.

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

    NASA Astrophysics Data System (ADS)

    Wang, Yong-Lei; Sarman, Sten; Kloo, Lars; Antzutkin, Oleg N.; Glavatskih, Sergei; Laaksonen, Aatto

    2016-08-01

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

  6. Far-Field Patterns from Dye-Doped Planar-Aligned Nematic Liquid Crystals Under nanosecond Laser Irradiation

    SciTech Connect

    Lukishova, S.G.; Lepeshkin, N.; Boyd, R.W.; Marshall, K.L.

    2006-08-18

    High-definition patterns were observed under 10-Hz-pulse-repetition-rate, nanosecond laser irradiation of azodye-doped planar-nematic liquid crystal layers at incident intensities I ~ 5-10 MW/cm^2 in a single beam configuration and without any feedback involved. An incident polarization parallel to the nematic director was used. Under periodic pulsed laser irradiation, far-field beam patterns at the output of a dye-doped liquid crystal layer changed kaleidoscopically from rings and stripes to multiple hexagons. This pattern-formation regime had a buildup time of several seconds to minutes. We explain the observed effect by diffraction of the laser beam on light-induced micrometer-size inhomogeneities inside the liquid crystal layer with absorption and refraction properties different from the surrounding area. Possible mechanisms of the formation of the inhomogeneities are discussed.

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

    SciTech Connect

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

    2004-05-25

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

  8. Gamma irradiation effect on Rayleigh scattering in low water peak single-mode optical fibers.

    PubMed

    Wen, Jianxiang; Peng, Gang-Ding; Luo, Wenyun; Xiao, Zhongyin; Chen, Zhenyi; Wang, Tingyun

    2011-11-01

    The Rayleigh scattering loss in low water peak single-mode optical fibers under varying Gamma rays irradiation has been investigated. We observed that the Rayleigh scattering coefficient (CR) of the fiber is almost linearly increased with the increase of Gamma irradiation in the low-dose range (< 500 Gy). Based on the electron spin resonance (ESR) spectra analysis, we confirmed that the Rayleigh scattering mainly results from the irradiation-induced defect centers associated with electron transfer or charge density redistribution around Ge and O atoms. This work provides a new interpretation of the optical loss and reveals a new mechanism on irradiation influence on Rayleigh scattering. PMID:22109205

  9. Local order of liquid water at the electrochemical interface

    NASA Astrophysics Data System (ADS)

    Fernandez Serra, Marivi; Pedroza, Luana

    2014-03-01

    Understanding the aqueous electrochemical interface in an atomic level is of fundamental importance in many areas, such as catalysis and materials science. In this work we analyze in detail the structural, dynamic and energetic properties of liquid-water interacting with (111) Pd and Au surfaces at ambient temperature, using first principles molecular dynamics, with and without van der Waals interactions. We show that, contrary to what was found when studying ice-like water layers, van der Waals interactions play a critical role in modeling the aqueous/electrode interface. We show the differences in the ordering of water at the interface for Pd and Au, and we explain the change in work functions of these two metals in aqueous solution. DOE Early Career Award No. DE-SC0003871.

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

    NASA Astrophysics Data System (ADS)

    S, Indrajith V.; Natesan, Baskaran

    2015-06-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-03-01

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

  12. Development of liquid-liquid cylindrical cyclone (LLCC) separator for oil-water separation

    NASA Astrophysics Data System (ADS)

    Dharma, Irfan Aditya; Arffan, Fuad; Prambudi, Anggi Riyo; Widyaparaga, Adhika; Pranoto, Indro; Khasani

    2016-06-01

    This study aims to determine the phenomena of water and oil separation and the performance of the Liquid-Liquid Cylindrical Cyclone (LLCC). The experiments were conducted with water and oil in a transparent LLCC separator that allows the visualization of the mixture. Series of experiments for various of inlet mixture velocity (Vm), inlet oil volume fraction (α), and split-ratio have been performed. Volume fraction of oil in the inlet were 0.06 (6 %), 0.1 (10%), and 0.15 (15 %). The examined inlet mixture velocity variations were 1.0 m / s, 1.5 m / s, and 2.0 m / s. Split-ratio was made in the range 25-70 %. The watercut in underflow were the variables measured. The experimental results show that the LLCC was able to separate water and oil and produced free water with concentration up to 98%. By increasing the value of the split-ratio, watercut in underflow increase and reached the optimum point. Optimal split-ratio observed is between 60 % and 70 % depend on the inlet oil volume fraction.

  13. Homogeneous liquid crystal alignment characteristics on solution-derived HfYGaO films treated with IB irradiation.

    PubMed

    Lee, Yun-Gun; Park, Hong-Gyu; Jeong, Hae-Chang; Lee, Ju Hwan; Heo, Gi-Seok; Seo, Dae-Shik

    2015-06-29

    Solution-derived HfYGaO films have been treated by ion beam (IB) irradiation and used as liquid crystal (LC) alignment layers. Solution processing was adopted due to its simplicity, high throughput, and facile composition modification. Homogeneous and uniform LC alignment was achieved on the IB-irradiated HfYGaO films, and when these films were adopted in twisted nematic (TN) cells, electro-optical performance comparable to that of TN cells with conventional polyimide layers was achieved, with almost no capacitance-voltage hysteresis. Moreover, LC cells based on IB-irradiated HfYGaO films had a high thermal budget. The proposed IB-irradiated solution-derived HfYGaO films have considerable potential for use in advanced LC applications. PMID:26191738

  14. Development of a liquid-fed water resistojet

    NASA Technical Reports Server (NTRS)

    Morren, W. Earl; Stone, James R.

    1988-01-01

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

  15. Liquid/liquid metal extraction: Phase diagram topology resulting from molecular interactions between extractant, ion, oil and water

    NASA Astrophysics Data System (ADS)

    Bauer, C.; Bauduin, P.; Dufrêche, J. F.; Zemb, T.; Diat, O.

    2012-11-01

    We consider the class of surfactants called "extractants" since they specifically interact with some cations and are used in liquid-liquid separation processes. We review here features of water-poor reverse micelles in water/oil/ extractant systems as determined by combined structural studies including small angle scattering techniques on absolute scale. Origins of instabilities, liquid-liquid separation as well as emulsification failure are detected. Phase diagrams contain the same multi-phase domains as classical microemulsions, but special unusual features appear due to the high spontaneous curvature directed towards the polar cores of aggregates as well as rigidity of the film made by extracting molecules.

  16. Crack initiation behavior of neutron irradiated model and commercial stainless steels in high temperature water

    NASA Astrophysics Data System (ADS)

    Stephenson, Kale J.; Was, Gary S.

    2014-01-01

    The objective of this study was to isolate key factors affecting the irradiation-assisted stress corrosion cracking (IASCC) susceptibility of eleven neutron-irradiated austenitic stainless steel alloys. Four commercial purity and seven high purity stainless steels were fabricated with specific changes in composition and microstructure, and irradiated in a fast reactor spectrum at 320 °C to doses between 4.4 and 47.5 dpa. Constant extension rate tensile (CERT) tests were performed in normal water chemistry (NWC), hydrogen water chemistry (HWC), or primary water (PW) environments to isolate the effects of environment, elemental solute addition, alloy purity, alloy heat, alloy type, cold work, and irradiation dose. The irradiated alloys showed a wide variation in IASCC susceptibility, as measured by the relative changes in mechanical properties and crack morphology. Cracking susceptibility measured by %IG was enhanced in oxidizing environments, although testing in the lowest potential environment caused an increase in surface crack density. Alloys containing solute addition of Ni or Ni + Cr exhibited no IASCC. Susceptibility was reduced in materials cold worked prior to irradiation, and increased with increasing irradiation dose. Irradiation-induced hardening was accounted for by the dislocation loop microstructure, however no relation between crack initiation and radiation hardening was found.

  17. Cross-section scaling for track structure simulations of low-energy ions in liquid water.

    PubMed

    Schmitt, E; Friedland, W; Kundrát, P; Dingfelder, M; Ottolenghi, A

    2015-09-01

    Radiation damage by low-energy ions significantly contributes to the high biological efficiency of ion beams in distal Bragg peak regions as well as to the energy-dependent efficiency of neutron irradiation. To enable assessing biological effects of ions at energies <1 MeV u(-1) with track-structure based models, a Barkas-like scaling procedure is developed that provides ion cross sections in liquid water based on those for hydrogen ions. The resulting stopping power and range for carbon ions agree with the ICRU 73 database and other low-energy stopping power data. The method represents the basis for extending PARTRAC simulations of light ion track structures and biological effects down to the keV u(-1) range. PMID:25969528

  18. 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. PMID:25146581

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

    PubMed

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

    2015-01-01

    Natural gas hydrates are icy crystalline materials that contain hydrocarbons, which are the primary energy source for this civilization. The abundance of naturally occurring gas hydrates leads to a growing interest in exploitation. Despite their potential as energy resources and in industrial applications, there is insufficient understanding of hydrate kinetics, which hinders the utilization of these invaluable resources. Perturbation of liquid water structure by solutes has been proposed to be a key process in hydrate inhibition, but this hypothesis remains unproven. Here, we report the direct observation of the perturbation of the liquid water structure induced by amino acids using polarized Raman spectroscopy, and its influence on gas hydrate nucleation and growth kinetics. Amino acids with hydrophilic and/or electrically charged side chains disrupted the water structure and thus provided effective hydrate inhibition. The strong correlation between the extent of perturbation by amino acids and their inhibition performance constitutes convincing evidence for the perturbation inhibition mechanism. The present findings bring the practical applications of gas hydrates significantly closer, and provide a new perspective on the freezing and melting phenomena of naturally occurring gas hydrates. PMID:26082291

  20. Gas hydrate inhibition by perturbation of liquid water structure

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

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

  1. Homogeneous liquid-liquid solvent extraction. [Propylene carbonate-water system

    SciTech Connect

    Ting, C.S.; Williams, E.T.; Finston, H.L.

    1980-01-01

    This investigation was undertaken to extend the technique of homogeneous liquid-liquid solvent extraction into propylene carbonate. The mutual solubilities of propylene carbonate in water and vice-versa are shown in the phase diagram. The extraction of a variety of monodentate and bidentate ligand complexes with Fe(III) as a function of ligand concentration and pH were investigated. The monodentate ligands studied include, thiocyanate, chloride, bromide, benzoate, and bathophenanthrolines. The bidentate ligands studied include the various ..beta..-diketones, 8-quinolinol, and also cupferron which was studied under normal conditions, i.e., not under conditions of homogeneous extraction. The homogeneous extraction proved effective for a variety of chelate complexes and ion association complexes of iron giving, in all cases, very rapid extraction as compared with the slow rate of conventional extraction methods.

  2. Liquid-liquid equilibria of the ternary system water + acetic acid + 1-hexanol

    SciTech Connect

    Fahim, M.A.; Al-Muhtaseb, S.A.; Al-Nashef, I.M.

    1997-01-01

    The recovery of organic acids from dilute solutions resulting from fermentation processes is important and many solvents have been tried to improve such recovery. Liquid-liquid equilibria for the ternary system water + acetic acid + 1-hexanol were measured over a temperature range of (288 to 323) K. The results were used to estimate the interaction parameters between each of the three compounds for the NRTL and UNIQUAC models and between each of the main groups of H{sub 2}O, CH{sub 2} (paraffinic CH{sub 2}), OH, and COOH for the UNIFAC model as a function of temperature. The estimated interaction parameters were successfully used to predict the equilibrium compositions by the three models. The NRTL equation was the most accurate model in correlating the overall equilibrium compositions of the studied system. The UNIQUAC and UNIFAC models satisfactorily predicted the equilibrium compositions.

  3. The structural origin of anomalous properties of liquid water

    PubMed Central

    Nilsson, Anders; Pettersson, Lars G. M.

    2015-01-01

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

  4. Investigation of a liquid-fed water resistojet plume

    NASA Technical Reports Server (NTRS)

    Manzella, D. H.; Carney, L. M.

    1989-01-01

    Measurements of mass flux and flow angle were taken throughout the forward flow region of the exhaust of a liquid-fed water resistojet using a quartz crystal microbalance (QCM). The resistojet operated at a mass flow rate of 0.1 g/s with a power input of 330 Watts. Measured values were compared to theoretical predictions obtained by employing a source flow approximation. Excellent agreement between predicted and measured mass flux values was attained; however, this agreement was highly dependent on knowledge of nozzle flow conditions. Measurements of the temperature at which the exhaust condensed on the QCM were obtained as a function of incident mass flux.

  5. An accurate and simple quantum model for liquid water.

    PubMed

    Paesani, Francesco; Zhang, Wei; Case, David A; Cheatham, Thomas E; Voth, Gregory A

    2006-11-14

    The path-integral molecular dynamics and centroid molecular dynamics methods have been applied to investigate the behavior of liquid water at ambient conditions starting from a recently developed simple point charge/flexible (SPC/Fw) model. Several quantum structural, thermodynamic, and dynamical properties have been computed and compared to the corresponding classical values, as well as to the available experimental data. The path-integral molecular dynamics simulations show that the inclusion of quantum effects results in a less structured liquid with a reduced amount of hydrogen bonding in comparison to its classical analog. The nuclear quantization also leads to a smaller dielectric constant and a larger diffusion coefficient relative to the corresponding classical values. Collective and single molecule time correlation functions show a faster decay than their classical counterparts. Good agreement with the experimental measurements in the low-frequency region is obtained for the quantum infrared spectrum, which also shows a higher intensity and a redshift relative to its classical analog. A modification of the original parametrization of the SPC/Fw model is suggested and tested in order to construct an accurate quantum model, called q-SPC/Fw, for liquid water. The quantum results for several thermodynamic and dynamical properties computed with the new model are shown to be in a significantly better agreement with the experimental data. Finally, a force-matching approach was applied to the q-SPC/Fw model to derive an effective quantum force field for liquid water in which the effects due to the nuclear quantization are explicitly distinguished from those due to the underlying molecular interactions. Thermodynamic and dynamical properties computed using standard classical simulations with this effective quantum potential are found in excellent agreement with those obtained from significantly more computationally demanding full centroid molecular dynamics

  6. Application of liquid-liquid-liquid microextraction and high-performance liquid-chromatography for the determination of sulfonamides in water.

    PubMed

    Lin, Che-Yi; Huang, Shang-Da

    2008-03-31

    This work presents a novel liquid-liquid-liquid microextraction (LLLME) technique for the extraction of sulfonamides from aqueous systems; it combines with high-performance liquid-chromatography-ultraviolet absorbance detection (HPLC/UV). In this experiment the sulfonamides were successively extracted from a donor phase (i.e., a water sample) into several microliters of an organic phase and then from the organic phase into an acceptor phase (i.e., an aqueous extract) by LLLME. The following separation and quantitative analyses were performed using HPLC/UV with 265 nm detection. Extraction condition such as solvent identity, agitation, extraction time, acceptor phase NaOH concentration, donor phase pH, and salt addition were optimized. Relative standard deviation (RSD, 2.6-5.3%), coefficient of estimation (R2, 0.9972-0.9999), and method detection limit (MDL, 0.11-0.77 ng mL(-1)) were achieved under the selected conditions. The proposed method was successfully applied to the analyses of three practical water samples and the relative recoveries of sulfonamides from the spiked water samples were in the range of 86.2-108.7%. The proposed method also confirms microextraction to be robust to monitoring trace levels of sulfacetamide, sulfadiazine, sulfathiazole, sulfamerazine, sulfadimidine, sulfamonomethoxine, sulfamethoxazole, and sulfaquinoxaline in aqueous samples. PMID:18331856

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

    PubMed Central

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

    2012-01-01

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

  8. 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.

  9. Investigation of parameters of interaction of hydrogen isotopes with liquid lithium and lithium capillary-porous system under reactor irradiation

    NASA Astrophysics Data System (ADS)

    Tazhibayeva, I. L.; Kulsartov, T. V.; Gordienko, Yu. N.; Zaurbekova, Zh. A.; Ponkratov, Yu. V.; Barsukov, N. I.; Tulubayev, Ye. Yu.; Baklanov, V. V.; Gnyrya, V. S.; Kenzhin, Ye. A.

    2015-12-01

    In this study, the effect of reactor irradiation on the processes of interaction of hydrogen with liquid lithium and a lithium capillary-porous system (CPS) is considered. The experiments are carried out by the gas-absorption method with use of a specially designed ampoule device. The results of investigation of the interaction of hydrogen with liquid lithium and a lithium CPS under conditions of reactor irradiation are described; namely, these are the temperature dependences of the rate constant for the interaction of hydrogen with liquid lithium at different reactor powers, the activation energies of the processes, and the pre-exponential factor in the Arrhenius dependence. The effect of increasing absorption of hydrogen by the samples under investigation as a result of the reactor irradiation is fixed. The effect can be explained by increasing mobility of hydrogen in liquid lithium due to hot spots in lithium bulk and the interaction of helium and tritium ions (formed as a result of the nuclear reaction of 6Li with neutron) with a surface hydride film.

  10. Investigation of parameters of interaction of hydrogen isotopes with liquid lithium and lithium capillary-porous system under reactor irradiation

    SciTech Connect

    Tazhibayeva, I. L. Kulsartov, T. V.; Gordienko, Yu. N.; Zaurbekova, Zh. A.; Ponkratov, Yu. V.; Barsukov, N. I.; Tulubayev, Ye. Yu.; Baklanov, V. V.; Gnyrya, V. S.; Kenzhin, Ye. A.

    2015-12-15

    In this study, the effect of reactor irradiation on the processes of interaction of hydrogen with liquid lithium and a lithium capillary-porous system (CPS) is considered. The experiments are carried out by the gas-absorption method with use of a specially designed ampoule device. The results of investigation of the interaction of hydrogen with liquid lithium and a lithium CPS under conditions of reactor irradiation are described; namely, these are the temperature dependences of the rate constant for the interaction of hydrogen with liquid lithium at different reactor powers, the activation energies of the processes, and the pre-exponential factor in the Arrhenius dependence. The effect of increasing absorption of hydrogen by the samples under investigation as a result of the reactor irradiation is fixed. The effect can be explained by increasing mobility of hydrogen in liquid lithium due to hot spots in lithium bulk and the interaction of helium and tritium ions (formed as a result of the nuclear reaction of {sup 6}Li with neutron) with a surface hydride film.

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

    SciTech Connect

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

    2012-07-01

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

  12. Tunable shape transformation of freezing liquid water marbles.

    PubMed

    Zang, Duyang; Lin, Kejun; Wang, Wenkai; Gu, Yaxi; Zhang, Yongjian; Geng, Xingguo; Binks, Bernard P

    2014-03-01

    Liquid water marbles coated with fumed silica nanoparticles exhibit various shape transformations upon freezing which are dependent on the hydrophobicity of the nanoparticles. The shape can be recovered during re-melting. For marbles coated with the most hydrophobic particles, a vertically prolonged morphology with a pointed protrusion on the top is formed on freezing. For marbles coated with less hydrophobic particles, a lateral expanded flying saucer-shaped morphology is formed. The different responses to freezing result from the different heterogeneous nucleation sites owing to the different positions of the particles at the air-water interface. If the particles are more immersed in water, ice embryos tend to form in the concave cavities between the particles. The volume expansion of water caused by freezing and continuous nucleation lead to continuous lateral stretching of the particle network coating the droplet surface and ultimately to the horizontally inflated shape of the marble. If the particles are more exposed to air, nucleation occurs on the convex surface of the particles, similar to that of a bare water droplet on a hydrophobic substrate. PMID:24651262

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

    PubMed Central

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

    2015-01-01

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

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

    PubMed

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

    2015-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

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

  16. Dynamic imaging of a single gold nanoparticle in liquid irradiated by off-resonance femtosecond laser

    NASA Astrophysics Data System (ADS)

    Boutopoulos, Christos; Hatef, Ali; Fortin-Deschênes, Matthieu; Meunier, Michel

    2015-07-01

    Plasmonic nanoparticles can lead to extreme confinement of the light in the near field. This unique ability of plasmonic nanoparticles can be used to generate nanobubbles in liquid. In this work, we demonstrate with single-particle monitoring that 100 nm gold nanoparticles (AuNPs) irradiated by off-resonance femtosecond (fs) laser in the tissue therapeutic optical window (λ = 800 nm), can act as a durable nanolenses in liquid and provoke nanocavitation while remaining intact. We have employed combined ultrafast shadowgraphic imaging, in situ dark field imaging and dynamic tracking of AuNP Brownian motion to ensure the study of individual AuNPs/nanolenses under multiple fs laser pulses. We demonstrate that 100 nm AuNPs can generate multiple, highly confined (radius down to 550 nm) and transient (life time < 50 ns) nanobubbles. The latter is of significant importance for future development of in vivo AuNP-assisted laser nanosurgery and theranostic applications, where AuNP fragmentation should be avoided to prevent side effects, such as cytotoxicity and immune system's response. The experimental results have been correlated with theoretical modeling to provide an insight to the AuNP-safe cavitation mechanism as well as to investigate the deformation mechanism of the AuNPs at high laser fluences.Plasmonic nanoparticles can lead to extreme confinement of the light in the near field. This unique ability of plasmonic nanoparticles can be used to generate nanobubbles in liquid. In this work, we demonstrate with single-particle monitoring that 100 nm gold nanoparticles (AuNPs) irradiated by off-resonance femtosecond (fs) laser in the tissue therapeutic optical window (λ = 800 nm), can act as a durable nanolenses in liquid and provoke nanocavitation while remaining intact. We have employed combined ultrafast shadowgraphic imaging, in situ dark field imaging and dynamic tracking of AuNP Brownian motion to ensure the study of individual AuNPs/nanolenses under multiple fs

  17. Water swelling properties of the electron beam irradiated PVA-g-AAc hydrogels

    NASA Astrophysics Data System (ADS)

    Wang, Qingguo; Zhou, Xue; Zeng, Jinxia; Wang, Jizeng

    2016-02-01

    In this paper, the electron beam irradiation technology being more suitable for the industry application is explored to fabricate the acrylic acid (AAc) monomer-grafted polyvinyl alcohol (PVA-g-AAc) hydrogels. ATR-IR spectra of the PVA-g-AAc hydrogels shows an obvious absorption peak of the sbnd Cdbnd O group at 1701 cm-1, indicating that the AAc monomers were grafted onto the PVA macromolecules. This paper also studied some effects of the mass ratio of PVA/AAc, pH of buffer solution and irradiation dosage on the water swelling properties of the electron beam irradiated PVA-g-AAc hydrogels. The water swelling ratio of PVA-g-AAc hydrogels decreases with increased irradiation dosage and mass ratio of PVA/AAc, whereas swelling ratio increases with increased pH of buffer solution and soaking time. The water-swelling behavior of PVA-g-AAc hydrogels occurred easily in an alkaline environment, particularly in a buffer solution with pH 9.2. Both PVA-g-AAc hydrogels (PVA/AAc = 1/5, w/w) irradiated with 5 kilogray (kGy) and PVA-g-AAc hydrogels (PVA/AAc = 1/1, w/w) irradiated with 15 kGy could easily absorb water and lead to high water swelling ratios (up to about 600%), which are potential candidates to meet the requirements for some biomedical applications.

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

    SciTech Connect

    Chempath, Shaji; Pratt, Lawrence R

    2008-01-01

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

  19. Effects of gas flow on oxidation reaction in liquid induced by He/O{sub 2} plasma-jet irradiation

    SciTech Connect

    Nakajima, Atsushi; Uchida, Giichiro Takenaka, Kosuke; Setsuhara, Yuichi; Kawasaki, Toshiyuki; Koga, Kazunori; Sarinont, Thapanut; Amano, Takaaki; Shiratani, Masaharu

    2015-07-28

    We present here analysis of oxidation reaction in liquid by a plasma-jet irradiation under various gas flow patterns such as laminar and turbulence flows. To estimate the total amount of oxidation reaction induced by reactive oxygen species (ROS) in liquid, we employ a KI-starch solution system, where the absorbance of the KI-starch solution near 600 nm behaves linear to the total amount of oxidation reaction in liquid. The laminar flow with higher gas velocity induces an increase in the ROS distribution area on the liquid surface, which results in a large amount of oxidation reaction in liquid. However, a much faster gas flow conversely results in a reduction in the total amount of oxidation reaction in liquid under the following two conditions: first condition is that the turbulence flow is triggered in a gas flow channel at a high Reynolds number of gas flow, which leads to a marked change of the spatial distribution of the ROS concentration in gas phase. Second condition is that the dimpled liquid surface is formed by strong gas flow, which prevents the ROS from being transported in radial direction along the liquid surface.

  20. Effects of gas flow on oxidation reaction in liquid induced by He/O2 plasma-jet irradiation

    NASA Astrophysics Data System (ADS)

    Nakajima, Atsushi; Uchida, Giichiro; Kawasaki, Toshiyuki; Koga, Kazunori; Sarinont, Thapanut; Amano, Takaaki; Takenaka, Kosuke; Shiratani, Masaharu; Setsuhara, Yuichi

    2015-07-01

    We present here analysis of oxidation reaction in liquid by a plasma-jet irradiation under various gas flow patterns such as laminar and turbulence flows. To estimate the total amount of oxidation reaction induced by reactive oxygen species (ROS) in liquid, we employ a KI-starch solution system, where the absorbance of the KI-starch solution near 600 nm behaves linear to the total amount of oxidation reaction in liquid. The laminar flow with higher gas velocity induces an increase in the ROS distribution area on the liquid surface, which results in a large amount of oxidation reaction in liquid. However, a much faster gas flow conversely results in a reduction in the total amount of oxidation reaction in liquid under the following two conditions: first condition is that the turbulence flow is triggered in a gas flow channel at a high Reynolds number of gas flow, which leads to a marked change of the spatial distribution of the ROS concentration in gas phase. Second condition is that the dimpled liquid surface is formed by strong gas flow, which prevents the ROS from being transported in radial direction along the liquid surface.

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

    PubMed

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

    2011-06-20

    Pump/probe optical-transmission measurements are used to monitor in space and time the ionization of a liquid column of water following impact of an 800-nm, 45-fs pump pulse. The pump pulse strikes the 53-μm-diameter column normal to its axis with intensities up to 2 × 10(15) W/cm2. After the initial photoinization and for probe delay times < 500 fs, the neutral water surrounding the beam is rapidly ionized in the transverse direction, presumably by hot electrons with initial velocities of 0.55 times the speed of light (relativistic kinetic energy of ~100 keV). Such velocities are unusual for condensed-matter excitation at the stated laser intensities. PMID:21716461

  2. Elimination of disinfection byproduct formation potential in reclaimed water during solar light irradiation.

    PubMed

    Qian-Yuan, Wu; Chao, Li; Ye, Du; Wen-Long, Wang; Huang, Huang; Hong-Ying, Hu

    2016-05-15

    Ecological storage of reclaimed water in ponds and lakes is widely applied in water reuse. During reclaimed water storage, solar light can degrade pollutants and improve water quality. This study investigated the effects of solar light irradiation on the disinfection byproduct formation potential in reclaimed water, including haloacetonitriles (HANs), trichloronitromethane (TCNM), trihalomethanes (THMs), haloketones (HKs) and chloral hydrate (CH). Natural solar light significantly decreased the formation potential of HANs, TCNM, and HKs in reclaimed water, but had a limited effect on the formation potential of THMs and CH. Ultraviolet (UV) light in solar radiation played a dominant role in the decrease of the formation potential of HANs, TCNM and HKs. Among the disinfection byproducts, the removal kinetic constant of dichloroacetonitrile (DCAN) with irradiation dose was much larger than those for dichloropropanone (1,1-DCP), trichloropropanone (1,1,1-TCP) and TCNM. During solar irradiation, fluorescence spectra intensities of reclaimed water also decreased significantly. The removal of tyrosine (Tyr)-like and tryptophan (Trp)-like protein fluorescence spectra intensity volumes was correlated to the decrease in DCAN formation potential. Solar irradiation was demonstrated to degrade Trp, Tyr and their DCAN formation potential. The photolysis products of Trp after solar irradiation were detected as kynurenine and tryptamine, which had chloroform, CH and DCAN formation potential lower than those of Trp. PMID:27010786

  3. Inactivation of Aspergillus flavus in drinking water after treatment with UV irradiation followed by chlorination.

    PubMed

    Al-Gabr, Hamid Mohammad; Zheng, Tianling; Yu, Xin

    2013-10-01

    The disinfection process for inactivating microorganisms at drinking water treatment plants is aimed for safety of drinking water for humans from a microorganism, such as bacteria, viruses, algae, fungi by using chlorination, ozonation, UV irradiation, etc. In the present study, a combination of two disinfectants, UV irradiation followed by chlorination, was evaluated for inactivating Aspergillus flavus under low contact time and low dosage of UV irradiation. The results indicated an inverse correlation between the inactivation of A. flavus by using UV irradiation only or chlorination alone. By using UV radiation, the 2 log10 control of A. flavus was achieved after 30 s of irradiation, while chlorination was observed to be more effective than UV, where the 2 log was achieved at chlorine concentration of 0.5, 1, 2 and 3 mg/l, in contact time of 60, 5, 1 and 1 min, respectively. However, combined use (UV irradiation followed by chlorination) was more effective than using either UV or chlorination alone; 5 s UV irradiation followed by chlorination produced 4 log10 reduction of A. flavus at chlorine concentrations of 2 and 3 mg/l under a contact time of 15 min. The results indicated that efficiency of UV irradiation improves when followed by chlorination at low concentrations. PMID:23831798

  4. Using LiF:Mg,Cu,P TLDs to estimate the absorbed dose to water in liquid water around an {sup 192}Ir brachytherapy source

    SciTech Connect

    Lucas, P. Avilés Aubineau-Lanièce, I.; Lourenço, V.; Vermesse, D.; Cutarella, D.

    2014-01-15

    Purpose: The absorbed dose to water is the fundamental reference quantity for brachytherapy treatment planning systems and thermoluminescence dosimeters (TLDs) have been recognized as the most validated detectors for measurement of such a dosimetric descriptor. The detector response in a wide energy spectrum as that of an{sup 192}Ir brachytherapy source as well as the specific measurement medium which surrounds the TLD need to be accounted for when estimating the absorbed dose. This paper develops a methodology based on highly sensitive LiF:Mg,Cu,P TLDs to directly estimate the absorbed dose to water in liquid water around a high dose rate {sup 192}Ir brachytherapy source. Methods: Different experimental designs in liquid water and air were constructed to study the response of LiF:Mg,Cu,P TLDs when irradiated in several standard photon beams of the LNE-LNHB (French national metrology laboratory for ionizing radiation). Measurement strategies and Monte Carlo techniques were developed to calibrate the LiF:Mg,Cu,P detectors in the energy interval characteristic of that found when TLDs are immersed in water around an{sup 192}Ir source. Finally, an experimental system was designed to irradiate TLDs at different angles between 1 and 11 cm away from an {sup 192}Ir source in liquid water. Monte Carlo simulations were performed to correct measured results to provide estimates of the absorbed dose to water in water around the {sup 192}Ir source. Results: The dose response dependence of LiF:Mg,Cu,P TLDs with the linear energy transfer of secondary electrons followed the same variations as those of published results. The calibration strategy which used TLDs in air exposed to a standard N-250 ISO x-ray beam and TLDs in water irradiated with a standard{sup 137}Cs beam provided an estimated mean uncertainty of 2.8% (k = 1) in the TLD calibration coefficient for irradiations by the {sup 192}Ir source in water. The 3D TLD measurements performed in liquid water were obtained with a

  5. Stability of amorphous silica-alumina in hot liquid water.

    PubMed

    Hahn, Maximilian W; Copeland, John R; van Pelt, Adam H; Sievers, Carsten

    2013-12-01

    Herein, the hydrothermal stability of amorphous silica-alumina (ASA) is investigated under conditions relevant for the catalytic conversion of biomass, namely in liquid water at 200 °C. The hydrothermal stability of ASA is much higher than that of pure silica or alumina. Interestingly, the synthetic procedure used plays a major role in its resultant stability: ASA prepared by cogelation (CG) lost its microporous structure, owing to hydrolysis of the siloxane bonds, but the resulting mesoporous material still had a considerable surface area. ASA prepared by deposition precipitation (DP) contained a silicon-rich core and an aluminum-rich shell. In hot liquid water, the latter structure was transformed into a layer of amorphous boehmite, which protected the particle from further hydrolysis. The surface area showed relatively minor changes during the transformation. Independent of the synthetic method used, the ASAs retained a considerable concentration of acid sites. The concentration of acid sites qualitatively followed the changes in surface area, but the changes were less pronounced. The performance of different ASAs for the hydrolysis of cellobiose into glucose is compared. PMID:24124062

  6. Stopping power of liquid water for low-energy electrons

    SciTech Connect

    Ashley, J.C.

    1982-01-01

    The dielectric function epsilon(q,..omega..) for liquid water is determined from an insulator model with parameters fixed by available optical data. Ionization of the oxygen K shell is described by generalized oscillator strengths. This model dielectric function is used to calculate the stopping power of liquid water for electrons with energies from 10 eV to 10 keV. The results agree well in the common energy range with an existing tabulation for 256 eV less than or equal to E less than or equal to 10.2 MeV and with Bethe-theory predictions down to 200 eV. The peak in stopping power at approx.25% lower than the predictions of R. H. Ritchie, R. N. Hamm, J.E. Turner, and H. A. Wright (in Proceedings, Sixth Symposium on Microdosimetry, Brussels, Belgium (J. Booz and H. G. Ebert, Eds.), pp. 345-354, Commission of the European Communities, Harwood, London, 1978 (EUR 6064 d-e-f)).

  7. The structure of liquid water beyond the first hydration shell.

    PubMed

    Henao, Andrés; Busch, Sebastian; Guàrdia, Elvira; Tamarit, Josep Lluis; Pardo, Luis Carlos

    2016-07-28

    To date there is a general consensus on the structure of the first coordination shells of liquid water, namely tetrahedral short range order of molecules. In contrast, little is known about the structure at longer distances and the influence of the tetrahedral molecular arrangement of the first shells on the order at these length scales. An expansion of the distance dependent excess entropy is used in this contribution to find out which molecular arrangements are important at each distance range. This was done by splitting the excess entropy into two parts: one connected to the relative position of two molecules and the other one related to their relative orientation. A transition between two previously unknown regimes in liquid water is identified at a distance of about ∼6 Å: from a predominantly orientational order at shorter distances to a regime at larger distances of up to ∼9 Å where the order is predominantly positional and molecules are distributed with the same tetrahedral symmetry as the very first molecules. PMID:27377988

  8. 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...

  9. Heat and Momentum Transfer on the Rapid Phase Change of Liquid Induced by Nanosecond-Pulsed Laser Irradiation.

    NASA Astrophysics Data System (ADS)

    Park, Hee Kuwon

    1994-01-01

    This study examines the physics of the liquid -vapor phase transition phenomenon induced by nanosecond -pulsed ultraviolet laser irradiation. This work is concerned with the science and technological applications of the phenomenon of rapid nucleation and explosive vaporization of a liquid in contact with a pulsed-laser heated solid surface. The thermodynamics of the phase transition, the kinetics of collective bubble growth and collapse, and the transient development of pressure field have been investigated experimentally by various fast optical sensing techniques. The purpose of this study is to provide new insight into the physics of the liquid-vapor transition and the interaction between laser and liquid-solid interface. A detailed study on the practical aspects of a novel technological application, the laser cleaning technology, is also included. A model system investigated throughout this work is pure water, methanol, or isopropanol in contact with a solid chromium surface that is heated by ultraviolet KrF excimer laser pulses of nanosecond duration. The dynamics of bubble nucleation, growth, and collapse is studied by optical specular reflectance and scattering probe, which isolates the onset of phase transformation with great accuracy. The thermodynamics of phase transition and metastability of liquid matter have been studied by transient photothermal reflectance probe, which monitors the transient temperature field non-intrusively with nanosecond time resolution. The transient response from the photothermal reflectance probe which utilizes temperature-dependent optical properties of an embedded thin film sensor are coupled with heat transfer modeling results in order to predict the thermodynamic condition for the vaporization in nanosecond time scale. The generation of transient pressure pulses by bubble growth and the effect of static pressure on the phase transition are studied by the piezoelectric transducer probe, photoacoustic probe beam deflection

  10. Present status of the liquid lithium target facility in the international fusion materials irradiation facility (IFMIF)

    NASA Astrophysics Data System (ADS)

    Nakamura, Hiroo; Riccardi, B.; Loginov, N.; Ara, K.; Burgazzi, L.; Cevolani, S.; Dell'Orco, G.; Fazio, C.; Giusti, D.; Horiike, H.; Ida, M.; Ise, H.; Kakui, H.; Matsui, H.; Micciche, G.; Muroga, T.; Nakamura, Hideo; Shimizu, K.; Sugimoto, M.; Suzuki, A.; Takeuchi, H.; Tanaka, S.; Yoneoka, T.

    2004-08-01

    During the three year key element technology phase of the International Fusion Materials Irradiation Facility (IFMIF) project, completed at the end of 2002, key technologies have been validated. In this paper, these results are summarized. A water jet experiment simulating Li flow validated stable flow up to 20 m/s with a double reducer nozzle. In addition, a small Li loop experiment validated stable Li flow up to 14 m/s. To control the nitrogen content in Li below 10 wppm will require surface area of a V-Ti alloy getter of 135 m 2. Conceptual designs of diagnostics have been carried out. Moreover, the concept of a remote handling system to replace the back wall based on `cut and reweld' and `bayonet' options has been established. Analysis by FMEA showed safe operation of the target system. Recent activities in the transition phase, started in 2003, and plan for the next phase are also described.

  11. Liquid state theories for the structure of water

    NASA Astrophysics Data System (ADS)

    Reddy, Govardhan; Lawrence, C. P.; Skinner, J. L.; Yethiraj, Arun

    2003-12-01

    Liquid state theories are investigated for the local structure of the simple point charge (SPC) and a modified SPC (MSPC) model of water. The latter model includes a van der Waals repulsion between the oxygen (O) and hydrogen (H) atoms, which is necessary for the implementation of some integral equation theories. Two integral equation theories, the reference interaction site model (RISM) and the diagrammatically proper Chandler-Silbey-Ladanyi (CSL) theory, are tested by comparison with simulations of the MSPC model (neither theory converges for the SPC model when the hypernetted chain closure is used). The RISM theory is in reasonable agreement with simulations, and is more accurate than the CSL theory. A density functional theory (DFT) is investigated, which treats the ideal gas functional exactly and uses a truncated expansion for the excess free energy functional. The DFT is in excellent agreement with simulations for the structure of the MSPC water model at all temperatures studied, and for the structure of the SPC water model at high temperatures. At room temperature, the DFT is in good agreement with simulations (of SPC water) for gHH(r) and gOH(r), but misses the location of the second peak in gOO(r). We attribute this deficiency to the importance of three-body correlations that are not properly incorporated in the theory.

  12. Ionic liquid as a promising biobased green solvent in combination with microwave irradiation for direct biodiesel production.

    PubMed

    Wahidin, Suzana; Idris, Ani; Shaleh, Sitti Raehanah Muhamad

    2016-04-01

    The wet biomass microalgae of Nannochloropsis sp. was converted to biodiesel using direct transesterification (DT) by microwave technique and ionic liquid (IL) as the green solvent. Three different ionic liquids; 1-butyl-3-metyhlimidazolium chloride ([BMIM][Cl], 1-ethyl-3-methylimmidazolium methyl sulphate [EMIM][MeSO4] and 1-butyl-3-methylimidazolium trifluoromethane sulfonate [BMIM][CF3SO3]) and organic solvents (hexane and methanol) were used as co-solvents under microwave irradiation and their performances in terms of percentage disruption, cell walls ruptured and biodiesel yields were compared at different reaction times (5, 10 and 15 min). [EMIM][MeSO4] showed highest percentage cell disruption (99.73%) and biodiesel yield (36.79% per dried biomass) after 15 min of simultaneous reaction. The results demonstrated that simultaneous extraction-transesterification using ILs and microwave irradiation is a potential alternative method for biodiesel production. PMID:26851899

  13. An in situ XAFS study--the formation mechanism of gold nanoparticles from X-ray-irradiated ionic liquid.

    PubMed

    Ma, Jingyuan; Zou, Yang; Jiang, Zheng; Huang, Wei; Li, Jiong; Wu, Guozhong; Huang, Yuying; Xu, Hongjie

    2013-07-28

    An in situ X-ray absorption fine structure (XAFS) experiment has been performed to observe the evolution of gold nanoparticles in the ionic liquid [BMIM][AuCl4], by hard X-ray irradiation. The ionic liquid acts as both a reducing agent and a protective ligand. A synchrotron-based X-ray plays the role of the irradiation source, which induces the reduction of the gold species, as well as being a real time probe for XAFS measurements. From the extended X-ray absorption fine structure (EXAFS) fitting results for a series of spectra of gold L3-edge, it can be seen clearly that there is a single Au-Cl bond breaking process before the formation of Au-Au bonds, which is different from previous reports on the formation of Au nanoparticles by several chemical methods. PMID:23765109

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

    NASA Astrophysics Data System (ADS)

    Klein, C.; Dabas, A.

    2014-05-01

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

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

    NASA Technical Reports Server (NTRS)

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

    1993-01-01

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

  16. Superior optical properties of homogeneous liquid crystal alignment on a tin (IV) oxide surface sequentially modulated via ion beam irradiation.

    PubMed

    Kang, Young-Gu; Park, Hong-Gyu; Kim, Hyung-Jun; Kim, Young-Hwan; Oh, Byeong-Yun; Kim, Byoung-Yong; Kim, Dai-Hyun; Seo, Dae-Shik

    2010-10-11

    We first investigated the alignment characteristics of tin (IV) oxide (SnO(2)) thin films deposited by radio-frequency (RF) magnetron sputtering. This study demonstrates that liquid crystal (LC) molecules could be aligned homogeneously by controlling the Ion Beam (IB) irradiation energy densities. We also show that the pretilt angle of the LC molecules has a close relation with the surface energy. X-ray photoelectron spectroscopy (XPS) indicates that a non-stoichiometric SnO(2-x) surface converted by ion beam irradiation can horizontally align the LC molecules. The measured electro-optical (EO) characteristics showed high performance, comparable with those of rubbed and ion-beam irradiated polyimide (PI) layers. PMID:20941057

  17. High performance twisted nematic liquid crystal display with solution-derived YZO surface modification via ion-beam irradiation.

    PubMed

    Lee, Jae-Won; Park, Hong-Gyu; Jeong, Hae-Chang; Jang, Sang-Bok; Park, Tae-Kyu; Seo, Dae-Shik

    2014-12-15

    Solution-derived YZO films were investigated as liquid crystal (LC) alignment layers modified by ion beam (IB) irradiation. Solution processing was adopted in place of the sputtering method for the deposition of YZO films as LC alignment layers. Uniform and homogeneous LC alignment was achieved to produce a high performance LC system. X-ray photoelectron spectroscopy analysis showed that surface reformation of YZO films by annealing and IB irradiation affects the uniformity of the LC alignment. Superior electro-optical characteristics of twisted nematic LC cells constructed from IB-irradiated YZO films were observed, which indicates that the proposed solution-derived YZO films have strong potential for use in the production of advanced LC displays. PMID:25607088

  18. Luminescence imaging of water during proton-beam irradiation for range estimation

    SciTech Connect

    Yamamoto, Seiichi Okumura, Satoshi; Komori, Masataka; Toshito, Toshiyuki

    2015-11-15

    Purpose: Proton therapy has the ability to selectively deliver a dose to the target tumor, so the dose distribution should be accurately measured by a precise and efficient method. The authors found that luminescence was emitted from water during proton irradiation and conjectured that this phenomenon could be used for estimating the dose distribution. Methods: To achieve more accurate dose distribution, the authors set water phantoms on a table with a spot scanning proton therapy system and measured the luminescence images of these phantoms with a high-sensitivity, cooled charge coupled device camera during proton-beam irradiation. The authors imaged the phantoms of pure water, fluorescein solution, and an acrylic block. Results: The luminescence images of water phantoms taken during proton-beam irradiation showed clear Bragg peaks, and the measured proton ranges from the images were almost the same as those obtained with an ionization chamber. Furthermore, the image of the pure-water phantom showed almost the same distribution as the tap-water phantom, indicating that the luminescence image was not related to impurities in the water. The luminescence image of the fluorescein solution had ∼3 times higher intensity than water, with the same proton range as that of water. The luminescence image of the acrylic phantom had a 14.5% shorter proton range than that of water; the proton range in the acrylic phantom generally matched the calculated value. The luminescence images of the tap-water phantom during proton irradiation could be obtained in less than 2 s. Conclusions: Luminescence imaging during proton-beam irradiation is promising as an effective method for range estimation in proton therapy.

  19. LIQUID AND GAS CHROMATOGRAPHIC ANALYSIS OF DIETHYL PHTHALATE IN WATER AND SEDIMENT

    EPA Science Inventory

    Diethyl phthalate was determined in water and sediment by high performance liquid chromatography (HPLC) and in water by gas-liquid chromatography with electron capture detection (GLC-ECD). Water samples were extracted with hexane, using a high-speed homogenizer-ultrasonic apparat...

  20. Atom Pair Distribution Functions of Liquid Water at 25circC from Neutron Diffraction

    NASA Astrophysics Data System (ADS)

    Narten, A. H.; Thiessen, W. E.; Blum, L.

    1982-09-01

    The structure of liquid water is described by three atom pair distribution functions gOO(r), gOH(r), and gHH(r). These functions have now been derived from neutron diffraction data on four mixtures of light and heavy water. They will provide a crucial and sensitive test for proposed models of liquid water.

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

    NASA Technical Reports Server (NTRS)

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

    1983-01-01

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

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

    SciTech Connect

    Tjernstroem, M. )

    1993-04-01

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

  3. The morphological changes of Ascaris lumbricoides ova in sewage sludge water treated by gamma irradiation

    NASA Astrophysics Data System (ADS)

    Shamma, M.; Al-Adawi, M. A.

    2002-10-01

    Untreated wastewater sampled from Damascus sewage water treatment plant containing nematode Ascaris lumbricoides ova were treated using gamma irradiation (doses between 1.5 and 8 kGy), immediately after irradiation the morphological and developmental status of eggs was examined microscopically. Major morphological changes of the contents of the eggs were detected. These eggs were incubated for 8 weeks, after this period no larvae "inside the eggs" were observed. Thus the morphological changes can be used as a viable parameter.

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

    PubMed Central

    Venkateshwaran, Vasudevan; Vembanur, Srivathsan; Garde, Shekhar

    2014-01-01

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

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

    USGS Publications Warehouse

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

    1969-01-01

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

  6. Assay of organic liquid contents in predominantly water-wet unconsolidated porous media

    NASA Astrophysics Data System (ADS)

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

    1991-11-01

    Immiscible organic liquids may be extracted from moist soil or other hydrophilic porous media by shaking a suspension of water and soil in a glass jar with a piece of porous polyethylene. The water displaces the organic liquid from the predominantly hydrophilic sample and the hydrophobic polyethylene preferentially absorbs the organic liquid, excluding water unless there is a detergent associated with the organic. Because most soils have some hydrophobic surfaces, the extraction of organic liquids by displacement with water is not quite complete. A correction is therefore made in the assay method by including samples with known organic liquid content as controls. The amount of organic liquid not displaced from the control samples can also be used to indicate the extent of hydrophobic sites in predominantly water-wet porous media. Organic liquid extractions were made by using three soils and two organic liquids. The standard deviation among replicated extractions was 0.010 g organic liquid. By applying a correction to the mass of organic liquid recovered, the assay accuracy was ±0.001 g organic liquid/g soil with 20.0-g oven-dry soil samples. It is likely that this assay method could be scaled up and used as a remediation method for removing and recovering organic liquids from earth excavated from spill or leak sites.

  7. Onset of simple liquid behaviour in modified water models

    SciTech Connect

    Prasad, Saurav; Chakravarty, Charusita

    2014-04-28

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

  8. Simple Evaluation Method of Atmospheric Plasma Irradiation Dose using pH of Water

    NASA Astrophysics Data System (ADS)

    Koga, Kazunori; Sarinont, Thapanut; Amano, Takaaki; Seo, Hyunwoong; Itagaki, Naho; Nakatsu, Yoshimichi; Tanaka, Akiyo; Shiratani, Masaharu

    2015-09-01

    Atmospheric discharge plasmas are promising for agricultural productivity improvements and novel medical therapies, because plasma provides high flux of short-lifetime reactive species at low temperature, leading to low damage to living body. For the plasma-bio applications, various kinds of plasma systems are employed, thus common evaluation methods are needed to compare plasma irradiation dose quantitatively among the systems. Here we offer simple evaluation method of plasma irradiation dose using pH of water. Experiments were carried out with a scalable DBD device. 300 μl of deionized water was prepared into the quartz 96 microwell plate at 3 mm below electrode. The pH value has been measured just after 10 minutes irradiation. The pH value was evaluated as a function of plasma irradiation dose. Atmospheric air plasma irradiation decreases pH of water with increasing the dose. We also measured concentrations of chemical species such as nitrites, nitrates and H2O2. The results indicate our method is promising to evaluate plasma irradiation dose quantitatively.

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

    PubMed

    Lobitz, B; Wood, B L; Averner, M M; McKay, C P

    2001-02-27

    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 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 were present. Locations of stability appear to correlate with the distribution of valley networks. PMID:11226204

  10. 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.