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Sample records for water temperature dynamics

  1. Observations and model estimates of diurnal water temperature dynamics in mosquito breeding sites in western Kenya

    NARCIS (Netherlands)

    Paaijmans, K.P.; Jacobs, A.F.G.; Takken, W.; Heusinkveld, B.G.; Githeko, A.K.; Dicke, M.; Holtslag, A.A.M.

    2008-01-01

    Water temperature is an important determinant of the growth and development of malaria mosquito immatures. To gain a better understanding of the daily temperature dynamics of malaria mosquito breeding sites and of the relationships between meteorological variables and water temperature, three clear

  2. Dynamic behaviour of bubbles of water vapour at a temperature lower than the boiling temperature

    International Nuclear Information System (INIS)

    Jansen, Franz

    1966-01-01

    This research thesis reports the study of the theoretical movement of the wall of vapour water bubbles in a sub-saturated boiling regime, i.e. with an average water temperature lower than the boiling temperature. While assuming that bubbles have an initial translational speed at the beginning of their condensation, the author shows that their shrinkage should result in an accelerated displacement in a direction normal to the wall and inward the liquid. Layers of hot water initially close to the wall would therefore be quickly transported towards cold water areas. Experiments allowed, in some cases, the acceleration of bubbles during their condensation to be noticed: for low sub-saturations in still water and for high sub-saturations in water in forced convection, even though, in this last case, the determination of accelerations is more delicate [fr

  3. The role of riparian vegetation density, channel orientation and water velocity in determining river temperature dynamics

    Science.gov (United States)

    Garner, Grace; Malcolm, Iain A.; Sadler, Jonathan P.; Hannah, David M.

    2017-10-01

    A simulation experiment was used to understand the importance of riparian vegetation density, channel orientation and flow velocity for stream energy budgets and river temperature dynamics. Water temperature and meteorological observations were obtained in addition to hemispherical photographs along a ∼1 km reach of the Girnock Burn, a tributary of the Aberdeenshire Dee, Scotland. Data from nine hemispherical images (representing different uniform canopy density scenarios) were used to parameterise a deterministic net radiation model and simulate radiative fluxes. For each vegetation scenario, the effects of eight channel orientations were investigated by changing the position of north at 45° intervals in each hemispheric image. Simulated radiative fluxes and observed turbulent fluxes drove a high-resolution water temperature model of the reach. Simulations were performed under low and high water velocity scenarios. Both velocity scenarios yielded decreases in mean (≥1.6 °C) and maximum (≥3.0 °C) temperature as canopy density increased. Slow-flowing water resided longer within the reach, which enhanced heat accumulation and dissipation, and drove higher maximum and lower minimum temperatures. Intermediate levels of shade produced highly variable energy flux and water temperature dynamics depending on the channel orientation and thus the time of day when the channel was shaded. We demonstrate that in many reaches relatively sparse but strategically located vegetation could produce substantial reductions in maximum temperature and suggest that these criteria are used to inform future river management.

  4. A simplified model to predict diurnal water temperature dynamics in a shallow tropical water pool

    NARCIS (Netherlands)

    Paaijmans, K.P.; Heusinkveld, B.G.; Jacobs, A.F.G.

    2008-01-01

    Water temperature is a critical regulator in the growth and development of malaria mosquito immatures, as they are poikilothermic. Measuring or estimating the diurnal temperature ranges to which these immatures are exposed is of the utmost importance, as these immatures will develop into adults that

  5. Molecular dynamics study of room temperature ionic liquids with water at mica surface

    Directory of Open Access Journals (Sweden)

    Huanhuan Zhang

    2018-04-01

    Full Text Available Water in room temperature ionic liquids (RTILs could impose significant effects on their interfacial properties at a charged surface. Although the interfaces between RTILs and mica surfaces exhibit rich microstructure, the influence of water content on such interfaces is little understood, in particular, considering the fact that RTILs are always associated with water due to their hygroscopicity. In this work, we studied how different types of RTILs and different amounts of water molecules affect the RTIL-mica interfaces, especially the water distribution at mica surfaces, using molecular dynamics (MD simulation. MD results showed that (1 there is more water and a thicker water layer adsorbed on the mica surface as the water content increases, and correspondingly the average location of K+ ions is farther from mica surface; (2 more water accumulated at the interface with the hydrophobic [Emim][TFSI] than in case of the hydrophilic [Emim][BF4] due to the respective RTIL hydrophobicity and ion size. A similar trend was also observed in the hydrogen bonds formed between water molecules. Moreover, the 2D number density map of adsorbed water revealed that the high-density areas of water seem to be related to K+ ions and silicon/aluminum atoms on mica surface. These results are of great importance to understand the effects of hydrophobicity/hydrophicility of RTIL and water on the interfacial microstructure at electrified surfaces. Keywords: Room temperature ionic liquids, Hydrophobicity/hydrophicility, Water content, Electrical double layer, Mica surface

  6. Microscopic dynamics of water around unfolded structures of barstar at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Somedatta; Chakraborty, Kaushik; Khatua, Prabir; Bandyopadhyay, Sanjoy, E-mail: sanjoy@chem.iitkgp.ernet.in [Molecular Modeling Laboratory, Department of Chemistry, Indian Institute of Technology, Kharagpur 721302 (India)

    2015-02-07

    The breaking of the native structure of a protein and its influences on the dynamic response of the surrounding solvent is an important issue in protein folding. In this work, we have carried out atomistic molecular dynamics simulations to unfold the protein barstar at two different temperatures (400 K and 450 K). The two unfolded forms obtained at such high temperatures are further studied at room temperature to explore the effects of nonuniform unfolding of the protein secondary structures along two different pathways on the microscopic dynamical properties of the surface water molecules. It is demonstrated that though the structural transition of the protein in general results in less restricted water motions around its segments, but there are evidences of formation of new conformational motifs upon unfolding with increasingly confined environment around them, thereby resulting in further restricted water mobility in their hydration layers. Moreover, it is noticed that the effects of nonuniform unfolding of the protein segments on the relaxation times of the protein–water (PW) and the water–water (WW) hydrogen bonds are correlated with hindered hydration water motions. However, the kinetics of breaking and reformation of such hydrogen bonds are found to be influenced differently at the interface. It is observed that while the effects of unfolding on the PW hydrogen bond kinetics seem to be minimum, but the kinetics involving the WW hydrogen bonds around the protein segments exhibit noticeably heterogeneous characteristics. We believe that this is an important observation, which can provide valuable insights on the origin of heterogeneous influence of unfolding of a protein on the microscopic properties of its hydration water.

  7. Water and sediment temperature dynamics in shallow tidal environments: The role of the heat flux at the sediment-water interface

    Science.gov (United States)

    Pivato, M.; Carniello, L.; Gardner, J.; Silvestri, S.; Marani, M.

    2018-03-01

    In the present study, we investigate the energy flux at the sediment-water interface and the relevance of the heat exchanged between water and sediment for the water temperature dynamics in shallow coastal environments. Water and sediment temperature data collected in the Venice lagoon show that, in shallow, temperate lagoons, temperature is uniform within the water column, and enabled us to estimate the net heat flux at the sediment-water interface. We modeled this flux as the sum of a conductive component and of the solar radiation reaching the bottom, finding the latter being negligible. We developed a "point" model to describe the temperature dynamics of the sediment-water continuum driven by vertical energy transfer. We applied the model considering conditions characterized by negligible advection, obtaining satisfactory results. We found that the heat exchange between water and sediment is crucial for describing sediment temperature but plays a minor role on the water temperature.

  8. Structure and dynamics of POPC bilayers in water solutions of room temperature ionic liquids

    International Nuclear Information System (INIS)

    Benedetto, Antonio; Bingham, Richard J.; Ballone, Pietro

    2015-01-01

    Molecular dynamics simulations in the NPT ensemble have been carried out to investigate the effect of two room temperature ionic liquids (RTILs), on stacks of phospholipid bilayers in water. We consider RTIL compounds consisting of chloride ([bmim][Cl]) and hexafluorophosphate ([bmim][PF 6 ]) salts of the 1-buthyl-3-methylimidazolium ([bmim] + ) cation, while the phospholipid bilayer is made of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC). Our investigations focus on structural and dynamical properties of phospholipid and water molecules that could be probed by inelastic and quasi-elastic neutron scattering measurements. The results confirm the fast incorporation of [bmim] + into the lipid phase already observed in previous simulations, driven by the Coulomb attraction of the cation for the most electronegative oxygens in the POPC head group and by sizeable dispersion forces binding the neutral hydrocarbon tails of [bmim] + and of POPC. The [bmim] + absorption into the bilayer favours the penetration of water into POPC, causes a slight but systematic thinning of the bilayer, and further stabilises hydrogen bonds at the lipid/water interface that already in pure samples (no RTIL) display a lifetime much longer than in bulk water. On the other hand, the effect of RTILs on the diffusion constant of POPC (D POPC ) does not reveal a clearly identifiable trend, since D POPC increases upon addition of [bmim][Cl] and decreases in the [bmim][PF 6 ] case. Moreover, because of screening, the electrostatic signature of each bilayer is only moderately affected by the addition of RTIL ions in solution. The analysis of long wavelength fluctuations of the bilayers shows that RTIL sorption causes a general decrease of the lipid/water interfacial tension and bending rigidity, pointing to the destabilizing effect of RTILs on lipid bilayers

  9. Structure and dynamics of POPC bilayers in water solutions of room temperature ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Benedetto, Antonio [School of Physics, University College Dublin, Dublin 4 (Ireland); Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, 5232 Villigen (Switzerland); Bingham, Richard J. [York Centre for Complex Systems Analysis, University of York, York YO10 5GE (United Kingdom); Ballone, Pietro [Center for Life Nano Science @Sapienza, Istituto Italiano di Tecnologia (IIT), 00185 Roma (Italy); Department of Physics, Università di Roma “La Sapienza,” 00185 Roma (Italy)

    2015-03-28

    Molecular dynamics simulations in the NPT ensemble have been carried out to investigate the effect of two room temperature ionic liquids (RTILs), on stacks of phospholipid bilayers in water. We consider RTIL compounds consisting of chloride ([bmim][Cl]) and hexafluorophosphate ([bmim][PF{sub 6}]) salts of the 1-buthyl-3-methylimidazolium ([bmim]{sup +}) cation, while the phospholipid bilayer is made of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC). Our investigations focus on structural and dynamical properties of phospholipid and water molecules that could be probed by inelastic and quasi-elastic neutron scattering measurements. The results confirm the fast incorporation of [bmim]{sup +} into the lipid phase already observed in previous simulations, driven by the Coulomb attraction of the cation for the most electronegative oxygens in the POPC head group and by sizeable dispersion forces binding the neutral hydrocarbon tails of [bmim]{sup +} and of POPC. The [bmim]{sup +} absorption into the bilayer favours the penetration of water into POPC, causes a slight but systematic thinning of the bilayer, and further stabilises hydrogen bonds at the lipid/water interface that already in pure samples (no RTIL) display a lifetime much longer than in bulk water. On the other hand, the effect of RTILs on the diffusion constant of POPC (D{sub POPC}) does not reveal a clearly identifiable trend, since D{sub POPC} increases upon addition of [bmim][Cl] and decreases in the [bmim][PF{sub 6}] case. Moreover, because of screening, the electrostatic signature of each bilayer is only moderately affected by the addition of RTIL ions in solution. The analysis of long wavelength fluctuations of the bilayers shows that RTIL sorption causes a general decrease of the lipid/water interfacial tension and bending rigidity, pointing to the destabilizing effect of RTILs on lipid bilayers.

  10. The dynamics of Orimulsion in water with varying salinity and temperature

    International Nuclear Information System (INIS)

    Fingas, M.F.; Wang, Z.; Landriault, M.; Noonan, J.

    2002-01-01

    A study was conducted to determine the complex interaction between salinity, time and temperature when Orimulsion is spilled in a water column. Orimulsion is a surfactant-stabilized oil-in-water emulsion composed of 70 per cent bitumen and 30 per cent water. It behaves very differently from conventional fuel oils when spilled because of its composition. It behaves predictably in both salt and fresh water, but its behaviour is difficult to predict in brackish water (2 per cent salt). Temperature also has an influence on the behaviour of Orimulsion. This study focused on examining the behaviour of Orimulsion at various low temperatures (5 to 15 degrees C), and a wide range of salinity values from fresh to salt water (values ranging from 0.1 to 33 per cent). A total of 19 experiments were conducted. The objective was to determine depletion rates and characteristics of Orimulsion when it was added to a 300 L tank of water and by determining the concentration of bitumen and the particle size distribution over time. The bitumen which rose to the top of the tank was collected and weighed. Simple equations were then developed to explain and predict the concentration of bitumen in the water column as a function of time. Nomograms indicating the quantity of oil on the bottom and on the water surface were also presented. 6 refs., 4 tabs., 10 figs

  11. The dynamics of Orimulsion in water with varying energy, salinity and temperature

    International Nuclear Information System (INIS)

    Fingas, M.F.; Fieldhouse, B.; Wang, Z.; Environment Canada, Ottawa, ON

    2004-01-01

    Orimulsion is a surfactant-stabilized oil-in-water emulsion composed of 70 per cent bitumen and 30 per cent water. Its unique composition causes it to behave differently from conventional fuel oils when spilled at sea. Earlier studies have shown that Orimulsion is driven by buoyancy to rise in salt water and sink in fresh water. This study conducted 11 experiments at lower temperature and salinity values to obtain new information on the behaviour of Orimulsion in salt, fresh and brackish water. The applied rotational field was adjusted to vary the energy. A time-series of samples of Orimulsion in a 300 litre tank of water were taken to determine depletion rates and characteristics. Oil on the surface was quantified and the concentration of bitumen and particle size distribution was determined. The study also measured changes in bitumen concentration and particle size distribution as a function of time. The data was used to develop simple equations that predict concentrations of bitumen resurfacing and remaining in the water column as a function of time. It was concluded that there is a complex interaction between salinity, time, energy and temperature. 9 refs., 5 tabs., 8 figs

  12. Predict the glass transition temperature and plasticization of β-cyclodextrin/water binary system by molecular dynamics simulation.

    Science.gov (United States)

    Zhou, Guohui; Zhao, Tianhai; Wan, Jie; Liu, Chengmei; Liu, Wei; Wang, Risi

    2015-01-12

    The glass transition temperature, diffusion behavior and plasticization of β-cyclodextrin (β-CD), and three amorphous β-CD/water mixtures (3%, 5% and 10% [w/w] water, respectively) were investigated by molecular dynamics simulation, which were performed using Condensed-phase Optimized Molecular Potentials for Atomistic Simulation Studies (COMPASS) force field and isothermal-isobaric ensembles. The specific volumes of four amorphous cells were obtained as a function of temperature. The glass transition temperatures (T(g)) were estimated to be 334.25 K, 325.12 K, 317.32 K, and 305.41 K for amorphous β-CD containing 0%, 3%, 5% and 10% w/w water, respectively, which compares well with the values observed in published literature. The radial distribution function was computed to elucidate the intermolecular interactions between amorphous β-CD and water, which acts as a plasticizer. These results indicate that the hydrogen bond interactions of oxygen in hydroxyl ions was higher than oxygen in acetal groups in β-CD amorphous mixtures with that in water, due to less accessibility of ring oxygens to the surrounding water molecules. The mobility of water molecules was investigated over various temperature ranges, including the rubbery and glassy phases of the β-CD/water mixtures, by calculating the diffusion coefficients and the fractional free volume. In β-CD amorphous models, the higher mobility of water molecules was observed at temperatures above Tg, and almost no change was observed at temperatures below T(g). Copyright © 2014 Elsevier Ltd. All rights reserved.

  13. The effect of influent temperature variations in a sedimentation tank for potable water treatment--a computational fluid dynamics study.

    Science.gov (United States)

    Goula, Athanasia M; Kostoglou, Margaritis; Karapantsios, Thodoris D; Zouboulis, Anastasios I

    2008-07-01

    A computational fluid dynamics (CFD) model is used to assess the effect of influent temperature variation on solids settling in a sedimentation tank for potable water treatment. The model is based on the CFD code Fluent and exploits several specific aspects of the potable water application to derive a computational tool much more efficient than the corresponding tools employed to simulate primary and secondary wastewater settling tanks. The linearity of the particle conservation equations allows separate calculations for each particle size class, leading to the uncoupling of the CFD problem from a particular inlet particle size distribution. The usually unknown and difficult to be measured particle density is determined by matching the theoretical to the easily measured experimental total settling efficiency. The present model is adjusted against data from a real sedimentation tank and then it is used to assess the significance of influent temperature variation. It is found that a temperature difference of only 1 degrees C between influent and tank content is enough to induce a density current. When the influent temperature rises, the tank exhibits a rising buoyant plume that changes the direction of the main circular current. This process keeps the particles in suspension and leads to a higher effluent suspended solids concentration, thus, worse settling. As the warmer water keeps coming in, the temperature differential decreases, the current starts going back to its original position, and, thus, the suspended solids concentration decreases.

  14. Hydration structure and dynamics of a hydroxide ion in water clusters of varying size and temperature: Quantum chemical and ab initio molecular dynamics studies

    International Nuclear Information System (INIS)

    Bankura, Arindam; Chandra, Amalendu

    2012-01-01

    Highlights: ► A theoretical study of hydroxide ion-water clusters is carried for varying cluster size and temperature. ► The structures of OH − (H 2 O) n are found out through quantum chemical calculations for n = 4, 8, 16 and 20. ► The finite temperature behavior of the clusters is studied through ab initio dynamical simulations. ► The spectral features of OH modes (deuterated) and their dependence on hydrogen bonding states of water are discussed. ► The mechanism and kinetics of proton transfer processes in these anionic clusters are also investigated. - Abstract: We have investigated the hydration structure and dynamics of OH − (H 2 O) n clusters (n = 4, 8, 16 and 20) by means of quantum chemical and ab initio molecular dynamics calculations. Quantum chemical calculations reveal that the solvation structure of the hydroxide ion transforms from three and four-coordinated surface states to five-coordinated interior state with increase in cluster size. Several other isomeric structures with energies not very different from the most stable isomer are also found. Ab initio simulations show that the most probable configurations at higher temperatures need not be the lowest energy isomeric structure. The rates of proton transfer in these clusters are found to be slower than that in bulk water. The vibrational spectral calculations reveal distinct features for free OH (deuterated) stretch modes of water in different hydrogen bonding states. Effects of temperature on the structural and dynamical properties are also investigated for the largest cluster considered here.

  15. High-temperature dynamic behavior in bulk liquid water: A molecular dynamics simulation study using the OPC and TIP4P-Ew potentials

    Science.gov (United States)

    Gabrieli, Andrea; Sant, Marco; Izadi, Saeed; Shabane, Parviz Seifpanahi; Onufriev, Alexey V.; Suffritti, Giuseppe B.

    2018-02-01

    Classical molecular dynamics simulations were performed to study the high-temperature (above 300 K) dynamic behavior of bulk water, specifically the behavior of the diffusion coefficient, hydrogen bond, and nearest-neighbor lifetimes. Two water potentials were compared: the recently proposed "globally optimal" point charge (OPC) model and the well-known TIP4P-Ew model. By considering the Arrhenius plots of the computed inverse diffusion coefficient and rotational relaxation constants, a crossover from Vogel-Fulcher-Tammann behavior to a linear trend with increasing temperature was detected at T* ≈ 309 and T* ≈ 285 K for the OPC and TIP4P-Ew models, respectively. Experimentally, the crossover point was previously observed at T* ± 315-5 K. We also verified that for the coefficient of thermal expansion α P ( T, P), the isobaric α P ( T) curves cross at about the same T* as in the experiment. The lifetimes of water hydrogen bonds and of the nearest neighbors were evaluated and were found to cross near T*, where the lifetimes are about 1 ps. For T T*, water behaves more like a simple liquid. The fact that T* falls within the biologically relevant temperature range is a strong motivation for further analysis of the phenomenon and its possible consequences for biomolecular systems.

  16. The influence of air temperature and relative humidity on dynamics of water potential in Betula pendula (Betulaceae trees

    Directory of Open Access Journals (Sweden)

    G. P. Тikhova

    2017-02-01

    Full Text Available Linear multiple models were developed to describe diurnal and seasonal dynamics of water potential (Ψ of the foliated shoots in the plants of Betula genus related to air temperature and relative humidity in the middle taiga (southern Karelia. The results of the study revealed unidirectional changes, but different effect strength of air temperature and relative humidity on Ψ of the foliated shoots of common silver birch (Betula pendula Roth and curly (Karelian birch (Betula pendula Roth var. carelica. It was shown that increasing air temperature 1°С results in similar decreasing of Ψ value equal to 0.037–0.038 MPa in both of the birches (p > 0.05. Since the diurnal air temperature range achieves 10–15 °С, the contribution of this factor may be up to 0.57 MPa. On the contrary, the contribution of relative air humidity to Ψ value differs significantly in distinct birch forms (p < 0.05. In this case the change range of Ψ value in silver birch and curly birch may be up to 0.46 (0.015 MPa/1 % RH and 0.52 МПа (0.017 MPa/1 % RH, respectively. The results indicate that curly birch responds to the increase of relative air humidity with higher magnification of Ψ in comparison with common silver birch.

  17. Electrical resistivity dynamics beneath a fractured sedimentary bedrock riverbed in response to temperature and groundwater–surface water exchange

    Directory of Open Access Journals (Sweden)

    C. M. Steelman

    2017-06-01

    Full Text Available Bedrock rivers occur where surface water flows along an exposed rock surface. Fractured sedimentary bedrock can exhibit variable groundwater residence times, anisotropic flow paths, and heterogeneity, along with diffusive exchange between fractures and rock matrix. These properties of the rock will affect thermal transients in the riverbed and groundwater–surface water exchange. In this study, surface electrical methods were used as a non-invasive technique to assess the scale and temporal variability of riverbed temperature and groundwater–surface water interaction beneath a sedimentary bedrock riverbed. Conditions were monitored at a semi-daily to semi-weekly interval over a full annual period that included a seasonal freeze–thaw cycle. Surface electromagnetic induction (EMI and electrical resistivity tomography (ERT methods captured conditions beneath the riverbed along a pool–riffle sequence of the Eramosa River in Canada. Geophysical datasets were accompanied by continuous measurements of aqueous specific conductance, temperature, and river stage. Time-lapse vertical temperature trolling within a lined borehole adjacent to the river revealed active groundwater flow zones along fracture networks within the upper 10 m of rock. EMI measurements collected during cooler high-flow and warmer low-flow periods identified a spatiotemporal riverbed response that was largely dependent upon riverbed morphology and seasonal groundwater temperature. Time-lapse ERT profiles across the pool and riffle sequence identified seasonal transients within the upper 2 and 3 m of rock, respectively, with spatial variations controlled by riverbed morphology (pool versus riffle and dominant surficial rock properties (competent versus weathered rock rubble surface. While the pool and riffle both exhibited a dynamic resistivity through seasonal cooling and warming cycles, conditions beneath the pool were more variable, largely due to the formation of river

  18. Dynamic hyperfiltration membranes for high-temperature spacecraft wash water recycle

    Science.gov (United States)

    Gaddis, J. L.; Brandon, C. A.

    1978-01-01

    The effect of operating parameters on the performance of the hyperfiltration membrane when operating on washwater was examined. The parameters were pressure, temperature, velocity, and concentration. Data taken included rejections of organic materials, ammonia, urea, and an assortment of ions. The membrane used was a dual layer, polyacrylic acid over zirconium oxide, deposited in situ on a porcelain ceramic substrate.

  19. Effects of water chemistry and temperature on radiocesium dynamics in rainbow trout, Oncorhynchus mykiss

    Energy Technology Data Exchange (ETDEWEB)

    Cocchio, L. A.; Beamish, F. W. H. [Guelph Univ., ON (Canada); Rodgers, D. W. [Ontario Hydro Technologies, Natural Sciences, Toronto, ON (Canada)

    1995-03-01

    Cesium-137 ({sup 137}Cs) is of particular concern among radionuclides because of high yield in uranium-235 fission, its relatively long half-life (30 years) and its tendency to accumulate in aquatic biota. Effect of potassium ion (K{sup +}) concentration on {sup 137}Cs accumulation in rainbow trout were examined. The first set of experiments determined the effects of temperature and K{sup +} on the elimination of dietary {sup 137}Cs. The effects of the uptake and elimination of {sup 137}Cs over a wider range of K{sup +} concentrations was also studied and the effects of Na{sup +} and Ca{sup 2+} were examined because their concentrations were affected by concentrations of K{sup +}. Elimination of {sup 137}Cs was heavily affected by the concentration of K{sup +} and temperature, although uptake was independent of these factors. Cs elimination appeared to be a function of metabolic rate. 1 tab., 3 figs., 35 refs.

  20. Molecular Dynamics Simulations of a Cyclic DP-240 Amylose Fragment in a Periodic Cell: Glass Transition Temperature and Water Diffusion

    Science.gov (United States)

    Molecular dynamics simulations using AMB06C, an in-house carbohydrate force field, (NPT ensembles, 1atm) were carried out on a periodic cell that contained a cyclic-DP-240 amylose fragment and TIP3P water molecules. Molecular conformation and movement of the amylose fragment and water molecules at ...

  1. Dynamical calculation of nuclear temperature

    International Nuclear Information System (INIS)

    Zheng Yuming

    1998-01-01

    A new dynamical approach for measuring the temperature of a Hamiltonian dynamical system in the microcanonical ensemble of thermodynamics is presented. It shows that under the hypothesis of ergodicity the temperature can be computed as a time average of a function on the energy surface. This method not only yields an efficient computational approach for determining the temperature, but also provides an intrinsic link between dynamical system theory and the statistical mechanics of Hamiltonian system

  2. Effect of dynamic strain ageing on the environmentally assisted cracking of low-alloy steels oxygenated high-temperature water

    International Nuclear Information System (INIS)

    Devrient, B.; Roth, A.; Kuester, K.; Ilg, U.; Widera, M.

    2007-01-01

    The plastic deformation behavior of low-alloy steels (LAS) is significantly influenced by their individual susceptibility to dynamic strain ageing (DSA). Interstitial atoms of nitrogen (N) or carbon (C) in the steel matrix can change the mechanical properties like ductility and strength by interaction with moving dislocations during plastic deformation. The degree of DSA is depending on temperature and strain rate during plastic deformation. Under critical parameter combinations strength increases while ductility decreases. Furthermore, the interaction of dislocations and interstitial atoms can lead to a localization of plastic deformation, which results in planar gliding processes. Shear bands in LAS types with a high susceptibility to DSA show significantly higher slip steps during plastic deformation as compared to heats with low susceptibility to DSA. Since the basic mechanism of environmentally-assisted cracking (EAC) of LAS in high-temperature water (HTW) environment is slip-step-dissolution, slip behavior is of crucial nature for the kinetics of crack initiation and crack growth. Therefore, a program concerning deformation behavior, slip characterization regarding distribution and size, and behavior in oxygenated HTW environment was performed. Analysis of slip steps by advanced techniques for surface morphology investigation showed that the maximum height of slip steps is in the range of freshly formed magnetite layers on LAS in oxygenated HTW environment. This supports the active effect of localized deformation on EAC in LAS types of high susceptibility to DSA. The exposure to oxygenated HTW environment with additional mechanical loading under critical combinations of temperature and strain rate of different LAS types with high, intermediate and low susceptibility to DSA in Slow Strain Rate Tensile-tests (SSRT) showed preferential crack initiation in the areas of coarse shear bands due to localized deformation. Furthermore, a continuous transition of the

  3. Water structure as a function of temperature from X-ray scatteringexperiments and ab initio molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Hura, Greg; Russo, Daniela; Glaeser, Robert M.; Head-Gordon,Teresa; Krack, Matthias; Parrinello, Michele

    2003-03-01

    We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with classical water models. The simulation of the experimental intensity is therefore definitive for determining radial distribution functions over a smaller Q-range. We find that the TIP4P, TIP5P and polarizable TIP4P-Pol2 water models, with DFT-LDA densities, show very good agreement with the experimental intensities, and TIP4P-Pol2 in particular shows quantitative agreement over the full temperature range. The resulting radial distribution functions from TIP4P-Pol2 provide the current best benchmarks for real-space water structure over the biologically relevant temperature range studied here.

  4. Water structure as a function of temperature from X-ray scattering experiments and ab initio molecular dynamics

    International Nuclear Information System (INIS)

    Hura, Greg; Russo, Daniela; Glaeser, Robert M.; Head-Gordon, Teresa; Krack, Matthias; Parrinello, Michele

    2003-01-01

    We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with classical water models. The simulation of the experimental intensity is therefore definitive for determining radial distribution functions over a smaller Q-range. We find that the TIP4P, TIP5P and polarizable TIP4P-Pol2 water models, with DFT-LDA densities, show very good agreement with the experimental intensities, and TIP4P-Pol2 in particular shows quantitative agreement over the full temperature range. The resulting radial distribution functions from TIP4P-Pol2 provide the current best benchmarks for real-space water structure over the biologically relevant temperature range studied here

  5. ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures

    Science.gov (United States)

    Sengul, Mert Y.; Randall, Clive A.; van Duin, Adri C. T.

    2018-04-01

    The intermolecular structure formation in liquid and supercritical acetic acid-water mixtures was investigated using ReaxFF-based molecular dynamics simulations. The microscopic structures of acetic acid-water mixtures with different acetic acid mole fractions (1.0 ≥ xHAc ≥ 0.2) at ambient and critical conditions were examined. The potential energy surface associated with the dissociation of acetic acid molecules was calculated using a metadynamics procedure to optimize the dissociation energy of ReaxFF potential. At ambient conditions, depending on the acetic acid concentration, either acetic acid clusters or water clusters are dominant in the liquid mixture. When acetic acid is dominant (0.4 ≤ xHAc), cyclic dimers and chain structures between acetic acid molecules are present in the mixture. Both structures disappear at increased water content of the mixture. It was found by simulations that the acetic acid molecules released from these dimer and chain structures tend to stay in a dipole-dipole interaction. These structural changes are in agreement with the experimental results. When switched to critical conditions, the long-range interactions (e.g., second or fourth neighbor) disappear and the water-water and acetic acid-acetic acid structural formations become disordered. The simulated radial distribution function for water-water interactions is in agreement with experimental and computational studies. The first neighbor interactions between acetic acid and water molecules are preserved at relatively lower temperatures of the critical region. As higher temperatures are reached in the critical region, these interactions were observed to weaken. These simulations indicate that ReaxFF molecular dynamics simulations are an appropriate tool for studying supercritical water/organic acid mixtures.

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

    Science.gov (United States)

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

    2016-04-01

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

  7. Structure and dynamics of biomembranes in room-temperature ionic liquid water solutions studied by neutron scattering and by molecular dynamics simulations

    Science.gov (United States)

    Benedetto, Antonio; Ballone, Pietro

    2018-05-01

    Increasing attention is being devoted to the interaction of a new class of organic ionic liquids known as room-temperature ionic liquids (RTILs) with biomolecules, partly because of health and environment concerns, and, even more, for the prospect of exciting new applications in biomedicine, sensing and energy technologies. Here we focus on the interaction between RTILs and phospholipid bilayers that are well-accepted models for bio-membranes. We discuss how neutron scattering has been used to probe both the structure and the dynamics of these systems, and how its integration with molecular dynamics simulation has allowed the determination of the microscopic details of their interaction.

  8. High temperature water chemistry monitoring

    International Nuclear Information System (INIS)

    Aaltonen, P.

    1992-01-01

    Almost all corrosion phenomena in nuclear power plants can be prevented or at least damped by water chemistry control or by the change of water chemistry control or by the change of water chemistry. Successful water chemistry control needs regular and continuous monitoring of such water chemistry parameters like dissolved oxygen content, pH, conductivity and impurity contents. Conventionally the monitoring is carried out at low pressures and temperatures, which method, however, has some shortcomings. Recently electrodes have been developed which enables the direct monitoring at operating pressures and temperatures. (author). 2 refs, 5 figs

  9. Experimental investigations concerning the possible effect of dynamic strain ageing on environmentally-assisted cracking of low alloy steels in oxygenated high-temperature water

    International Nuclear Information System (INIS)

    Roth, A.; Devrient, B.; Haenninen, H.; Bruemmer, G.; Ilg, U.; Widera, M.; Hofmann, H.; Wachter, O.

    2003-01-01

    Service experience has revealed cracks due to environmentally-assisted cracking (EAC) in welds of the feedwater piping system of a boiling water reactor (BWR). Two slightly different low alloy steel (LAS) weld filler metals were used in the system of concern, however, only one of them was affected by cracking. To achieve an improved understanding, a laboratory study was initiated to investigate the crack growth behavior of the two relevant weld filler metals in an oxygenated high-temperature water (HTW) environment representing BWR normal water chemistry (NWC) under sequences of cyclic and constant load. Despite the basic similarities in the nominal chemical composition of both weld filler alloys, the crack growth behaviors revealed significant differences. This could not be explained based on the material's sulphur content, which is known to have a pronounced effect on EAC. To elucidate the observed behavior, studies concerning dynamic strain aging (DSA) have been initiated. DSA has been recently suspected to be another parameter that may influence EAC of LAS in HTW. A reasonable coincidence was observed between the susceptibility to DSA exhibited by slow strain rate tensile tests (SSRT) in air and by internal friction measurements with measured free nitrogen contents on the one hand and with the EAC behavior observed in service and in laboratory experiments on the other hand. (orig.)

  10. Relaxation dynamics and transformation kinetics of deeply supercooled water: Temperature, pressure, doping, and proton/deuteron isotope effects.

    Science.gov (United States)

    Lemke, Sonja; Handle, Philip H; Plaga, Lucie J; Stern, Josef N; Seidl, Markus; Fuentes-Landete, Violeta; Amann-Winkel, Katrin; Köster, Karsten W; Gainaru, Catalin; Loerting, Thomas; Böhmer, Roland

    2017-07-21

    Above its glass transition, the equilibrated high-density amorphous ice (HDA) transforms to the low-density pendant (LDA). The temperature dependence of the transformation is monitored at ambient pressure using dielectric spectroscopy and at elevated pressures using dilatometry. It is found that near the glass transition temperature of deuterated samples, the transformation kinetics is 300 times slower than the structural relaxation, while for protonated samples, the time scale separation is at least 30 000 and insensitive to doping. The kinetics of the HDA to LDA transformation lacks a proton/deuteron isotope effect, revealing that this process is dominated by the restructuring of the oxygen network. The x-ray diffraction experiments performed on samples at intermediate transition stages reflect a linear combination of the LDA and HDA patterns implying a macroscopic phase separation, instead of a local intermixing of the two amorphous states.

  11. Relaxation dynamics and transformation kinetics of deeply supercooled water: Temperature, pressure, doping, and proton/deuteron isotope effects

    Science.gov (United States)

    Lemke, Sonja; Handle, Philip H.; Plaga, Lucie J.; Stern, Josef N.; Seidl, Markus; Fuentes-Landete, Violeta; Amann-Winkel, Katrin; Köster, Karsten W.; Gainaru, Catalin; Loerting, Thomas; Böhmer, Roland

    2017-07-01

    Above its glass transition, the equilibrated high-density amorphous ice (HDA) transforms to the low-density pendant (LDA). The temperature dependence of the transformation is monitored at ambient pressure using dielectric spectroscopy and at elevated pressures using dilatometry. It is found that near the glass transition temperature of deuterated samples, the transformation kinetics is 300 times slower than the structural relaxation, while for protonated samples, the time scale separation is at least 30 000 and insensitive to doping. The kinetics of the HDA to LDA transformation lacks a proton/deuteron isotope effect, revealing that this process is dominated by the restructuring of the oxygen network. The x-ray diffraction experiments performed on samples at intermediate transition stages reflect a linear combination of the LDA and HDA patterns implying a macroscopic phase separation, instead of a local intermixing of the two amorphous states.

  12. Dynamics of a BWR with inclusion of boiling nonlinearity, clad temperature and void-dependent core power removal: Stability and bifurcation characteristics of advanced heavy water reactor (AHWR)

    Energy Technology Data Exchange (ETDEWEB)

    Verma, Dinkar, E-mail: dinkar@iitk.ac.in [Nuclear Engineering and Technology Program, Indian Institute of Technology Kanpur, Kanpur 208 016 (India); Kalra, Manjeet Singh, E-mail: drmanjeet.singh@dituniversity.edu.in [DIT University, Dehradun 248 009 (India); Wahi, Pankaj, E-mail: wahi@iitk.ac.in [Department of Mechanical Engineering, Indian Institute of Technology Kanpur, Kanpur 208 016 (India)

    2016-11-15

    Highlights: • Simplified models with inclusion of the clad temperature are considered. • Boiling nonlinearity and core power removal have been modeled. • Method of multiple time scales has been used for nonlinear analysis to get the nature and amplitude of oscillations. • Incorporation of modeling complexities enhances the stability of system. • We find that reactors with higher nominal power are more desirable from the point of view of global stability. - Abstract: We study the effect of including boiling nonlinearity, clad temperature and void-dependent power removal from the primary loop in the mathematical modeling of a boiling water reactor (BWR) on its dynamic characteristics. The advanced heavy water reactor (AHWR) is taken as a case study. Towards this end, we have analyzed two different simplified models with different handling of the clad temperature. Each of these models has the necessary modifications pertaining to boiling nonlinearity and power removal from the primary loop. These simplified models incorporate the neutronics and thermal–hydraulic coupling. The effect of successive changes in the modeling assumptions on the linear stability of the reactor has been studied and we find that incorporation of each of these complexities in the model increases the stable operating region of the reactor. Further, the method of multiple time scales (MMTS) is exploited to carry out the nonlinear analysis with a view to predict the bifurcation characteristics of the reactor. Both subcritical and supercritical Hopf bifurcations are present in each model depending on the choice of operating parameters. These analytical observations from MMTS have been verified against numerical simulations. A parametric study on the effect of changing the nominal reactor power on the regions in the parametric space of void coefficient of reactivity and fuel temperature coefficient of reactivity with sub- and super-critical Hopf bifurcations has been performed for all

  13. Modelling global fresh surface water temperature

    NARCIS (Netherlands)

    Beek, L.P.H. van; Eikelboom, T.; Vliet, M.T.H. van; Bierkens, M.F.P.

    2011-01-01

    Temperature directly determines a range of water physical properties including vapour pressure, surface tension, density and viscosity, and the solubility of oxygen and other gases. Indirectly water temperature acts as a strong control on fresh water biogeochemistry, influencing sediment

  14. Prediction of water temperature metrics using spatial modelling in ...

    African Journals Online (AJOL)

    Water temperature regime dynamics should be viewed regionally, where regional divisions have an inherent underpinning by an understanding of natural thermal variability. The aim of this research was to link key water temperature metrics to readily-mapped environmental surrogates, and to produce spatial images of ...

  15. Dynamics of water bound to crystalline cellulose

    Energy Technology Data Exchange (ETDEWEB)

    O’Neill, Hugh; Pingali, Sai Venkatesh; Petridis, Loukas; He, Junhong; Mamontov, Eugene; Hong, Liang; Urban, Volker; Evans, Barbara; Langan, Paul; Smith, Jeremy C.; Davison, Brian H.

    2017-09-19

    Interactions of water with cellulose are of both fundamental and technological importance. Here, we characterize the properties of water associated with cellulose using deuterium labeling, neutron scattering and molecular dynamics simulation. Quasi-elastic neutron scattering provided quantitative details about the dynamical relaxation processes that occur and was supported by structural characterization using small-angle neutron scattering and X-ray diffraction. We can unambiguously detect two populations of water associated with cellulose. The first is “non-freezing bound” water that gradually becomes mobile with increasing temperature and can be related to surface water. The second population is consistent with confined water that abruptly becomes mobile at ~260 K, and can be attributed to water that accumulates in the narrow spaces between the microfibrils. Quantitative analysis of the QENS data showed that, at 250 K, the water diffusion coefficient was 0.85 ± 0.04 × 10-10 m2sec-1 and increased to 1.77 ± 0.09 × 10-10 m2sec-1 at 265 K. MD simulations are in excellent agreement with the experiments and support the interpretation that water associated with cellulose exists in two dynamical populations. Our results provide clarity to previous work investigating the states of bound water and provide a new approach for probing water interactions with lignocellulose materials.

  16. Pressure dependence of dynamical heterogeneity in water

    International Nuclear Information System (INIS)

    Teboul, Victor

    2008-01-01

    Using molecular dynamics simulations we investigate the effect of pressure on the dynamical heterogeneity in water. We show that the effect of a pressure variation in water is qualitatively different from the effect of a temperature variation on the dynamical heterogeneity in the liquid. We observe a strong decrease of the aggregation of molecules of low mobility together with a decrease of the characteristic time associated with this aggregation. However, the aggregation of the most mobile molecules and the characteristic time of this aggregation are only slightly affected. In accordance with this result, the non-Gaussian parameter shows an important decrease with pressure while the characteristic time t* of the non-Gaussian parameter is only slightly affected. These results highlight then the importance of pressure variation investigations in low temperature liquids on approach to the glass transition

  17. Vibrational dynamics of hydration water in amylose

    CERN Document Server

    Cavatorta, F; Albanese, G; Angelini, N

    2002-01-01

    We present a study of the dynamical properties of hydration water associated with amylose helices, based on low-temperature vibrational spectra collected using the TOSCA inelastic spectrometer at ISIS. The structural constraints of the polysaccharidic chains favour the formation of a high-density structure for water, which has been suggested by Imberty and Perez on the basis of conformational analysis. According to this model, hydration water can only enter the pores formed by six adjacent helices and completely fills the pores at a hydration level of about 0.27-g water/g dry amylose. Our measurements show that the dynamical behaviour of hydration water is similar to that observed in high-density amorphous ice. (orig.)

  18. Dynamic temperature measurements with embedded optical sensors.

    Energy Technology Data Exchange (ETDEWEB)

    Dolan, Daniel H.,; Seagle, Christopher T; Ao, Tommy

    2013-10-01

    This report summarizes LDRD project number 151365, \\Dynamic Temperature Measurements with Embedded Optical Sensors". The purpose of this project was to develop an optical sensor capable of detecting modest temperature states (<1000 K) with nanosecond time resolution, a recurring diagnostic need in dynamic compression experiments at the Sandia Z machine. Gold sensors were selected because the visible re ectance spectrum of gold varies strongly with temperature. A variety of static and dynamic measurements were performed to assess re ectance changes at di erent temperatures and pressures. Using a minimal optical model for gold, a plausible connection between static calibrations and dynamic measurements was found. With re nements to the model and diagnostic upgrades, embedded gold sensors seem capable of detecting minor (<50 K) temperature changes under dynamic compression.

  19. Hydration and temperature interdependence of protein picosecond dynamics.

    Science.gov (United States)

    Lipps, Ferdinand; Levy, Seth; Markelz, A G

    2012-05-14

    We investigate the nature of the solvent motions giving rise to the rapid temperature dependence of protein picoseconds motions at 220 K, often referred to as the protein dynamical transition. The interdependence of picoseconds dynamics on hydration and temperature is examined using terahertz time domain spectroscopy to measure the complex permittivity in the 0.2-2.0 THz range for myoglobin. Both the real and imaginary parts of the permittivity over the frequency range measured have a strong temperature dependence at >0.27 h (g water per g protein), however the permittivity change is strongest for frequencies 1 THz, and 0.27 h for frequencies <1 THz. The data are consistent with the dynamical transition solvent fluctuations requiring only clusters of ~5 water molecules, whereas the enhancement of lowest frequency motions requires a fully spanning water network. This journal is © the Owner Societies 2012

  20. Water in Room Temperature Ionic Liquids

    Science.gov (United States)

    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

  1. Design of a dynamic compensated temperature sensor

    International Nuclear Information System (INIS)

    Yan, Wu; Katz, E.M.; Kerlin, T.W.

    1991-01-01

    One important function of a temperature sensor in a nuclear power plant is to track changing process temperatures, but the sensor output lags the changing temperature. This lag may have a large influence when the sensor is used in control or safety systems. Therefore, it is advantageous to develop methods that increase the sensor response speed. The goal of this project is to develop a fast-responding temperature sensor, the dynamic compensated temperature sensor (DCTS), based on signal dynamic compensation technology. To verify the theoretical basis of the DCTS and incorporate the DCTS into a real temperature measurement process, several experiments have been performed. The DCTS is a simple approach that can decrease the temperature sensor's response time, and it can provide faster temperature signals to the nuclear power plant safety system

  2. Micro-scale heterogeneity in water temperature | Dallas | Water SA

    African Journals Online (AJOL)

    Micro-scale heterogeneity in water temperature was examined in 6 upland sites in the Western Cape, South Africa. Hourly water temperature data converted to daily data showed that greatest differences were apparent in daily maximum temperatures between shallow- and deep-water biotopes during the warmest period of ...

  3. Hydration dynamics in water clusters via quantum molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Turi, László, E-mail: turi@chem.elte.hu [Department of Physical Chemistry, Eötvös Loránd University, Budapest 112, P. O. Box 32, H-1518 (Hungary)

    2014-05-28

    We have investigated the hydration dynamics in size selected water clusters with n = 66, 104, 200, 500, and 1000 water molecules using molecular dynamics simulations. To study the most fundamental aspects of relaxation phenomena in clusters, we choose one of the simplest, still realistic, quantum mechanically treated test solute, an excess electron. The project focuses on the time evolution of the clusters following two processes, electron attachment to neutral equilibrated water clusters and electron detachment from an equilibrated water cluster anion. The relaxation dynamics is significantly different in the two processes, most notably restoring the equilibrium final state is less effective after electron attachment. Nevertheless, in both scenarios only minor cluster size dependence is observed. Significantly different relaxation patterns characterize electron detachment for interior and surface state clusters, interior state clusters relaxing significantly faster. This observation may indicate a potential way to distinguish surface state and interior state water cluster anion isomers experimentally. A comparison of equilibrium and non-equilibrium trajectories suggests that linear response theory breaks down for electron attachment at 200 K, but the results converge to reasonable agreement at higher temperatures. Relaxation following electron detachment clearly belongs to the linear regime. Cluster relaxation was also investigated using two different computational models, one preferring cavity type interior states for the excess electron in bulk water, while the other simulating non-cavity structure. While the cavity model predicts appearance of several different hydrated electron isomers in agreement with experiment, the non-cavity model locates only cluster anions with interior excess electron distribution. The present simulations show that surface isomers computed with the cavity predicting potential show similar dynamical behavior to the interior clusters of

  4. The effect of increasing water temperatures on Schistosoma mansoni transmission and Biomphalaria pfeifferi population dynamics: an agent-based modelling study.

    Directory of Open Access Journals (Sweden)

    Nicky McCreesh

    Full Text Available There is increasing interest in the control and elimination of schistosomiasis. Little is known, however, about the likely effects of increasing water-body temperatures on transmission.We have developed an agent-based model of the temperature-sensitive stages of the Schistosoma and intermediate host snail life-cycles, parameterised using data from S. mansoni and Biomphalaria pfeifferi laboratory and field-based observations. Infection risk is calculated as the number of cercariae in the model, adjusted for their probability of causing infection.The number of snails in the model is approximately constant between 15-31°C. Outside this range, snail numbers drop sharply, and the snail population cannot survive outside the range 14-32°C. Mean snail generation time decreases with increasing temperature from 176 days at 14°C to 46 days at 26°C. Human infection risk is highest between 16-18°C and 1pm and 6-10pm in calm water, and 20-25°C and 12-4pm in flowing water. Infection risk increases sharply when temperatures increase above the minimum necessary for sustained transmission.The model suggests that, in areas where S. mansoni is already endemic, warming of the water at transmission sites will have differential effects on both snails and parasites depending on abiotic properties of the water-body. Snail generation times will decrease in most areas, meaning that snail populations will recover faster from natural population reductions and from snail-control efforts. We suggest a link between the ecological properties of transmission sites and infection risk which could significantly affect the outcomes of interventions designed to alter water contact behaviour--proposing that such interventions are more likely to reduce infection levels at river locations than lakes, where infection risk remains high for longer. In cooler areas where snails are currently found, increasing temperatures may significantly increase infection risk, potentially leading

  5. Modeling the Growth of Epiphytic Bacteria on Kale Treated by Thermosonication Combined with Slightly Acidic Electrolyzed Water and Stored under Dynamic Temperature Conditions.

    Science.gov (United States)

    Mansur, Ahmad Rois; Oh, Deog-Hwan

    2016-08-01

    The growth of epiphytic bacteria (aerobic mesophilic bacteria or Pseudomonas spp.) on kale was modeled isothermally and validated under dynamic storage temperatures. Each bacterial count on kale stored at isothermal conditions (4 to 25 °C) was recorded. The results show that maximum growth rate (μmax ) of both epiphytic bacteria increased and lag time (λ) decreased with increasing temperature (P 0.97), whereas lower R(2) > 0.86 and R(2) > 0.87 was observed for the λ and Nmax , respectively. The overall predictions of both epiphytic bacterial growths under nonisothermal conditions with temperature abuse of 15 °C agreed with the observed data, whereas those with temperature abuse of 25 °C were greatly overestimated. The appropriate parameter q0 (physiological state of cells), therefore, was adjusted by a trial and error to fit the model. This study demonstrates that the developed model was able to predict accurately epiphytic bacterial growth on kale stored under nonisothermal conditions particularly those with low temperature abuse of 15 °C. © 2016 Institute of Food Technologists®

  6. How proteins modify water dynamics

    Science.gov (United States)

    Persson, Filip; Söderhjelm, Pär; Halle, Bertil

    2018-06-01

    Much of biology happens at the protein-water interface, so all dynamical processes in this region are of fundamental importance. Local structural fluctuations in the hydration layer can be probed by 17O magnetic relaxation dispersion (MRD), which, at high frequencies, measures the integral of a biaxial rotational time correlation function (TCF)—the integral rotational correlation time. Numerous 17O MRD studies have demonstrated that this correlation time, when averaged over the first hydration shell, is longer than in bulk water by a factor 3-5. This rotational perturbation factor (RPF) has been corroborated by molecular dynamics simulations, which can also reveal the underlying molecular mechanisms. Here, we address several outstanding problems in this area by analyzing an extensive set of molecular dynamics data, including four globular proteins and three water models. The vexed issue of polarity versus topography as the primary determinant of hydration water dynamics is resolved by establishing a protein-invariant exponential dependence of the RPF on a simple confinement index. We conclude that the previously observed correlation of the RPF with surface polarity is a secondary effect of the correlation between polarity and confinement. Water rotation interpolates between a perturbed but bulk-like collective mechanism at low confinement and an exchange-mediated orientational randomization (EMOR) mechanism at high confinement. The EMOR process, which accounts for about half of the RPF, was not recognized in previous simulation studies, where only the early part of the TCF was examined. Based on the analysis of the experimentally relevant TCF over its full time course, we compare simulated and measured RPFs, finding a 30% discrepancy attributable to force field imperfections. We also compute the full 17O MRD profile, including the low-frequency dispersion produced by buried water molecules. Computing a local RPF for each hydration shell, we find that the

  7. Phase transitions and dynamics of bulk and interfacial water

    International Nuclear Information System (INIS)

    Franzese, G; Hernando-Martinez, A; Kumar, P; Mazza, M G; Stokely, K; Strekalova, E G; Stanley, H E; De los Santos, F

    2010-01-01

    New experiments on water at the surface of proteins at very low temperature display intriguing dynamic behaviors. The extreme conditions of these experiments make it difficult to explore the wide range of thermodynamic state points needed to offer a suitable interpretation. Detailed simulations suffer from the same problem, where equilibration times at low temperature become extremely long. We show how Monte Carlo simulations and mean field calculations using a tractable model of water help interpret the experimental results. Here we summarize the results for bulk water and investigate the thermodynamic and dynamic properties of supercooled water at an interface.

  8. Phase transitions and dynamics of bulk and interfacial water

    Energy Technology Data Exchange (ETDEWEB)

    Franzese, G; Hernando-Martinez, A [Departament de Fisica Fonamental, Universitat de Barcelona, Diagonal 647, Barcelona 08028 (Spain); Kumar, P [Center for Studies in Physics and Biology, Rockefeller University, 1230 York Avenue, New York, NY 10021 (United States); Mazza, M G; Stokely, K; Strekalova, E G; Stanley, H E [Center for Polymer Studies and Department of Physics, Boston University, Boston, MA 02215 (United States); De los Santos, F, E-mail: gfranzese@ub.ed [Departamento de Electromagnetismo y Fisica de la Materia, Universidad de Granada, Fuentenueva s/n, 18071 Granada (Spain)

    2010-07-21

    New experiments on water at the surface of proteins at very low temperature display intriguing dynamic behaviors. The extreme conditions of these experiments make it difficult to explore the wide range of thermodynamic state points needed to offer a suitable interpretation. Detailed simulations suffer from the same problem, where equilibration times at low temperature become extremely long. We show how Monte Carlo simulations and mean field calculations using a tractable model of water help interpret the experimental results. Here we summarize the results for bulk water and investigate the thermodynamic and dynamic properties of supercooled water at an interface.

  9. Dynamics of Gauge Fields at High Temperature

    NARCIS (Netherlands)

    Nauta, B.J.

    2000-01-01

    An effective description of dynamical Bose fields is provided by the classical (high-temperature) limit of thermal field theory. The main subject of this thesis is to improve the ensuing classical field theory, that is, to include the dominant quantum corrections and to add counter terms for the

  10. Dynamic Model of High Temperature PEM Fuel Cell Stack Temperature

    DEFF Research Database (Denmark)

    Andreasen, Søren Juhl; Kær, Søren Knudsen

    2007-01-01

    cathode air cooled 30 cell HTPEM fuel cell stack developed at the Institute of Energy Technology at Aalborg University. This fuel cell stack uses PEMEAS Celtec P-1000 membranes, runs on pure hydrogen in a dead end anode configuration with a purge valve. The cooling of the stack is managed by running......The present work involves the development of a model for predicting the dynamic temperature of a high temperature PEM (HTPEM) fuel cell stack. The model is developed to test different thermal control strategies before implementing them in the actual system. The test system consists of a prototype...... the stack at a high stoichiometric air flow. This is possible because of the PBI fuel cell membranes used, and the very low pressure drop in the stack. The model consists of a discrete thermal model dividing the stack into three parts: inlet, middle and end and predicting the temperatures in these three...

  11. High temperature pressure water's blowdown into water. Experimental results

    International Nuclear Information System (INIS)

    Ishida, Toshihisa; Kusunoki, Tsuyoshi; Kasahara, Yoshiyuki; Iida, Hiromasa

    1994-01-01

    The purpose of the present experimental study is to clarify the phenomena in blowdown of high temperature and pressure water in pressure vessel into the containment water for evaluation of design of an advanced marine reactor(MRX). The water blown into the containment water flushed and formed steam jet plume. The steam jet condensed in the water, but some stream penetrated to gas phase of containment and contributed to increase of containment pressure. (author)

  12. Local Hawking temperature for dynamical black holes

    International Nuclear Information System (INIS)

    Hayward, S A; Criscienzo, R Di; Nadalini, M; Vanzo, L; Zerbini, S

    2009-01-01

    A local Hawking temperature is derived for any future outer trapping horizon in spherical symmetry, using a Hamilton-Jacobi variant of the Parikh-Wilczek tunneling method. It is given by a dynamical surface gravity as defined geometrically. The operational meaning of the temperature is that Kodama observers just outside the horizon measure an invariantly redshifted temperature, diverging at the horizon itself. In static, asymptotically flat cases, the Hawking temperature as usually defined by the Killing vector agrees in standard cases, but generally differs by a relative redshift factor between the horizon and infinity, this being the temperature measured by static observers at infinity. Likewise, the geometrical surface gravity reduces to the Newtonian surface gravity in the Newtonian limit, while the Killing definition instead reflects measurements at infinity. This may resolve a long-standing puzzle concerning the Hawking temperature for the extremal limit of the charged stringy black hole, namely that it is the local temperature which vanishes. In general, this confirms the quasi-stationary picture of black-hole evaporation in early stages. However, the geometrical surface gravity is generally not the surface gravity of a static black hole with the same parameters. (fast track communication)

  13. Modeling quantum fluid dynamics at nonzero temperatures

    Science.gov (United States)

    Berloff, Natalia G.; Brachet, Marc; Proukakis, Nick P.

    2014-01-01

    The detailed understanding of the intricate dynamics of quantum fluids, in particular in the rapidly growing subfield of quantum turbulence which elucidates the evolution of a vortex tangle in a superfluid, requires an in-depth understanding of the role of finite temperature in such systems. The Landau two-fluid model is the most successful hydrodynamical theory of superfluid helium, but by the nature of the scale separations it cannot give an adequate description of the processes involving vortex dynamics and interactions. In our contribution we introduce a framework based on a nonlinear classical-field equation that is mathematically identical to the Landau model and provides a mechanism for severing and coalescence of vortex lines, so that the questions related to the behavior of quantized vortices can be addressed self-consistently. The correct equation of state as well as nonlocality of interactions that leads to the existence of the roton minimum can also be introduced in such description. We review and apply the ideas developed for finite-temperature description of weakly interacting Bose gases as possible extensions and numerical refinements of the proposed method. We apply this method to elucidate the behavior of the vortices during expansion and contraction following the change in applied pressure. We show that at low temperatures, during the contraction of the vortex core as the negative pressure grows back to positive values, the vortex line density grows through a mechanism of vortex multiplication. This mechanism is suppressed at high temperatures. PMID:24704874

  14. Relationship between water temperature predictability and aquatic ...

    African Journals Online (AJOL)

    Macroinvertebrate taxonomic turnover across seasons was higher for sites having lower water temperature predictability values than for sites with higher predictability, while temporal partitioning was greater at sites with greater temperature variability. Macroinvertebrate taxa responded in a predictable manner to changes in ...

  15. Low frequency enzyme dynamics as a function of temperature and hydration: A neutron scattering study

    Energy Technology Data Exchange (ETDEWEB)

    Kurkal, V. [Interdisciplinary Center for Scientific Computing (IWR), University of Heidelberg, Im Neuenheimer Feld 368, D-69120 Heidelberg (Germany); Daniel, R.M. [Department of Biological Sciences, University of Waikato, Private Bag 3105, Hamilton (New Zealand); Finney, John L. [Department of Physics and Astronomy, University college, London, Gower Street, London WC1E 6BT, England (United Kingdom); Tehei, M. [Department of Biological Sciences, University of Waikato, Private Bag 3105, Hamilton (New Zealand); Dunn, R.V. [Department of Biological Sciences, University of Waikato, Private Bag 3105, Hamilton (New Zealand); Smith, Jeremy C. [Interdisciplinary Center for Scientific Computing (IWR), University of Heidelberg, Im Neuenheimer Feld 368, D-69120 Heidelberg (Germany)], E-mail: biocomputing@iwr.uni-heidelberg.de

    2005-10-31

    The effect of hydration and temperature on the low-frequency dynamics of the enzyme Pig liver esterase has been investigated with incoherent neutron scattering experiments. The results suggest that at low temperature, increasing hydration results in lower flexibility of the protein. At higher temperatures, systems containing sufficient number of water molecules interacting with the protein exhibit increased flexibility. The environmental force constants indicate that the environment of the protein is more rigid below than it is above the dynamical transition temperature.

  16. Dynamics and structure of water-bitumen mixtures

    DEFF Research Database (Denmark)

    Lemarchand, Claire; Greenfield, Michael L.; Hansen, Jesper Schmidt

    2016-01-01

    Systems of Cooee bitumen and water up to 4% mass are studied by molecular dynamics simulations. The cohesive energy density of the system is shown to decrease with an increasing water content. This decrease is due mainly to an increase in the interaction energy which is not high enough to counter......Systems of Cooee bitumen and water up to 4% mass are studied by molecular dynamics simulations. The cohesive energy density of the system is shown to decrease with an increasing water content. This decrease is due mainly to an increase in the interaction energy which is not high enough...... droplets being more stable at the highest temperature simulated. The droplet is mainly located close to the saturates molecules in bitumen. Finally, it is shown that the water dynamics is much slower in bitumen than in pure water because it is governed by the diffusion of the droplet and not of the single...

  17. Water temperature impacts water consumption by range cattle in winter

    Science.gov (United States)

    Water consumption and DMI have been found to be positively correlated, which may interact with ingestion of cold water or grazed frozen forage due to transitory reductions in temperature of ruminal contents. The hypothesis underpinning the study explores the potential that cows provided warm drinkin...

  18. Excess water dynamics in hydrotalcite: QENS study

    Indian Academy of Sciences (India)

    dynamics of excess water in hydrotalcite sample with varied content of excess water are reported. Translational motion of excess water can be best described by random transla- tional jump diffusion model. The observed increase in translational diffusivity with increase in the amount of excess water is attributed to the ...

  19. Dynamics of binary mixtures in inhomogeneous temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Gonnella, G; Piscitelli, A [Dipartimento di Fisica, Universita di Bari and Istituto Nazionale di Fisica Nucleare, Sezione di Bari, via Amendola 173, 70126 Bari (Italy); Lamura, A [Istituto Applicazioni Calcolo, CNR, via Amendola 122/D, 70126 Bari (Italy)

    2008-03-14

    A dynamical description for fluid binary mixtures with variable temperature and concentration gradient contributions to entropy and internal energy is given. By using mass, momentum and energy balance equations together with the standard expression for entropy production, a generalized Gibbs-Duhem relation is obtained which takes into account thermal and concentration gradient contributions. Then an expression for the pressure tensor is derived. As examples of applications, interface behavior and phase separation have been numerically studied in two dimensions neglecting the contributions of the velocity field. In the simplest case with a constant thermal gradient, the growth exponent for the averaged size of domains is found to have the usual value z = 1/3 and the domains appear elongated in the direction of the thermal gradient. When the system is quenched by contact with external walls, the evolution of temperature profiles in the system is shown and the domain morphology is characterized by interfaces perpendicular to the thermal gradient.

  20. Water dynamics of vegetable using radiation

    International Nuclear Information System (INIS)

    Nakanishi, Tomoko

    2000-01-01

    Neutral ray is specifically adsorbed and scattered by hydrogen, which is construction element of water. We applied nondestructive visualization of water dynamics in vegetable using neutral ray. The neutron ray was produced by JRR-3M of JAERI. Water dynamics of epigeal part of vegetable, tree, seed, root and soil near root were observed. The distribution and behavior of water were seen by image. For examples, the dry process of cedar, water adsorption process of seed of broad beam, corn, morning glory, rice and wheat. The growing process of root in the soil was analyzed by CT images that constructed three-dimensional image. Water image of root-soil system made clear water dynamics of the optional site near root. The distribution of water in the cut carnation was observed before and after dry treatment. The change of distribution of water was observed. (S.Y.)

  1. THz dynamics of nanoconfined water by ultrafast optical spectroscopy

    International Nuclear Information System (INIS)

    Taschin, A; Bartolini, P; Torre, R

    2017-01-01

    We investigated the vibrational dynamics and structural relaxation of water nanoconfined in porous silica samples with a pore size of 4 nm at different levels of hydration and temperature. We used the time-resolved optical Kerr effect (OKE), a spectroscopic technique that enables investigation of ultrafast water dynamics in a wide time (0.1–10 ps) or frequency (10 – 0.1 THz) window. At low hydration levels corresponding to two complete superficial water layers, no freezing occurs and the water remains mobile at all investigated temperatures. Meanwhile, at full hydration we witness a partial ice formation at about 248 K that coexists with the surface water remaining in the supercooled state. At low hydration, both structural and vibrational dynamics show significant modifications compared to bulk liquid water. This is due to the strong interaction of the water molecules with silica surfaces. Inner water, however, reveals relaxation dynamics very similar to bulk water. (paper)

  2. Forest canopy temperatures: dynamics, controls, and relationships with ecosystem fluxes

    Science.gov (United States)

    Still, C. J.; Griffith, D.; Kim, Y.; Law, B. E.; Hanson, C. V.; Kwon, H.; Schulze, M.; Detto, M.; Pau, S.

    2017-12-01

    Temperature strongly affects enzymatic reactions, ecosystem biogeochemistry, and species distributions. Although most focus is on air temperature, the radiative or skin temperature of plants is more relevant. Canopy skin temperature dynamics reflect biophysical, physiological, and anatomical characteristics and interactions with the environment, and can be used to examine forest responses to stresses like droughts and heat waves. Thermal infrared (TIR) imaging allows for extensive temporal and spatial sampling of canopy temperatures, particularly compared to spot measurements using thermocouples. We present results of TIR imaging of forest canopies at eddy covariance flux tower sites in the US Pacific Northwest and in Panama. These forests range from an old-growth temperate rainforest to a second growth semi-arid pine forest to a semi-deciduous tropical forest. Canopy temperature regimes at these sites are highly variable. Canopy temperatures at all forest sites displayed frequent departures from air temperature, particularly during clear sky conditions, with elevated canopy temperatures during the day and depressed canopy temperatures at night compared to air temperature. Comparison of canopy temperatures to fluxes of carbon dioxide, water vapor, and energy reveals stronger relationships than those found with air temperature. Daytime growing season net ecosystem exchange at the pine forest site is better explained by canopy temperature (r2 = 0.61) than air temperature (r2 = 0.52). At the semi-deciduous tropical forest, canopy photosynthesis is highly correlated with canopy temperature (r2 = 0.51), with a distinct optimum temperature for photosynthesis ( 31 °C) that agrees with leaf-level measurements. During the peak of one heat wave at an old-growth temperate rainforest, hourly averaged air temperature exceeded 35 °C, 10 °C above average. Peak hourly canopy temperature approached 40 °C, and leaf-to-air vapor pressure deficit exceeded 6 kPa. These extreme

  3. Proton dynamics and the phase diagram of dense water ice.

    Science.gov (United States)

    Hernandez, J-A; Caracas, R

    2018-06-07

    All the different phases of water ice between 2 GPa and several megabars are based on a single body-centered cubic sub-lattice of oxygen atoms. They differ only by the behavior of the hydrogen atoms. In this study, we investigate the dynamics of the H atoms at high pressures and temperatures in water ice from first-principles molecular dynamics simulations. We provide a detailed analysis of the O-H⋯O bonding dynamics over the entire stability domain of the body-centered cubic (bcc) water ices and compute transport properties and vibrational density-of-states. We report the first ab initio evidence for a plastic phase of water and we propose a coherent phase diagram for bcc water ices compatible with the two groups of melting curves and with the multiple anomalies reported in ice VII around 15 GPa.

  4. Quasi-dynamic pressure and temperature

    International Nuclear Information System (INIS)

    Zaug, J M.; Farber, D L; Blosch, L L; Craig, I M; Hansen, D W; Aracne-Ruddle, C M; Shuh, D K

    1998-01-01

    The phase transformation of(beta)-HMX ( and lt; 0.5% RDX) to the(delta) phase has been studied for over twenty years and more recently with an optically sensitive second harmonic generation technique. Shock studies of the plastic binder composites of HMX have indicated that the transition is perhaps irreversible, a result that concurs with the static pressure results published by F. Goetz et al.[l] in 1978. However the stability field favors the(beta) polymorph over(delta) as pressure is increased (up to 5.4 GPa) along any sensible isotherm. In this experiment strict control of pressure and temperature is maintained while x-ray and optical diagnostics are applied to monitor the conformational dynamics of HMX. Unlike the temperature induced(beta) - and gt;(delta) transition, the pressure induced is heterogeneous in nature. The room pressure and temperature(delta) - and gt;(beta) transition is not immediate although it seems to occur over tens of hours. Transition points and kinetics are path dependent and so this paper describes our work in progress

  5. Identify the dominant variables to predict stream water temperature

    Science.gov (United States)

    Chien, H.; Flagler, J.

    2016-12-01

    Stream water temperature is a critical variable controlling water quality and the health of aquatic ecosystems. Accurate prediction of water temperature and the assessment of the impacts of environmental variables on water temperature variation are critical for water resources management, particularly in the context of water quality and aquatic ecosystem sustainability. The objective of this study is to measure stream water temperature and air temperature and to examine the importance of streamflow on stream water temperature prediction. The measured stream water temperature and air temperature will be used to test two hypotheses: 1) streamflow is a relatively more important factor than air temperature in regulating water temperature, and 2) by combining air temperature and streamflow data stream water temperature can be more accurately estimated. Water and air temperature data loggers are placed at two USGS stream gauge stations #01362357and #01362370, located in the upper Esopus Creek watershed in Phonecia, NY. The ARIMA (autoregressive integrated moving average) time series model is used to analyze the measured water temperature data, identify the dominant environmental variables, and predict the water temperature with identified dominant variable. The preliminary results show that streamflow is not a significant variable in predicting stream water temperature at both USGS gauge stations. Daily mean air temperature is sufficient to predict stream water temperature at this site scale.

  6. Temperature transient response measurement in flowing water

    International Nuclear Information System (INIS)

    Rainbird, J.C.

    1980-01-01

    A specially developed procedure is described for determining the thermal transient response of thermocouples and other temperature transducers when totally immersed in flowing water. The high velocity heat transfer conditions associated with this facility enable thermocouple response times to be predicted in other fluids. These predictions can be confirmed by electrical analogue experiments. (author)

  7. Escherichia coli survival in waters: Temperature dependence

    Science.gov (United States)

    Knowing the survival rates of water-borne Escherichia coli is important in evaluating microbial contamination and making appropriate management decisions. E. coli survival rates are dependent on temperature, a dependency that is routinely expressed using an analogue of the Q10 mo...

  8. Lake water acidification and temperature have a lagged effect on the population dynamics of Isoëtes echinospora via offspring recruitment.

    Czech Academy of Sciences Publication Activity Database

    Čtvrtlíková, Martina; Hejzlar, Josef; Vrba, Jaroslav; Kopáček, Jiří; Nedoma, Jiří; Hekera, P.; Wade, A.J.; Roy, S.

    2016-01-01

    Roč. 70, November (2016), s. 420-430 ISSN 1470-160X R&D Projects: GA MŠk(CZ) EE2.3.30.0032; GA ČR GA206/07/1200; GA ČR(CZ) GAP504/12/1218 Institutional support: RVO:60077344 Keywords : aluminium toxicity * aquatic plant * bioindication * herbivory * nutrients * plant life-history traits * population dynamics * reproductive ecology * stress Subject RIV: EF - Botanics Impact factor: 3.898, year: 2016

  9. Ising ferromagnet: zero-temperature dynamic evolution

    International Nuclear Information System (INIS)

    Oliveira, P M C de; Newman, C M; Sidoravicious, V; Stein, D L

    2006-01-01

    The dynamic evolution at zero temperature of a uniform Ising ferromagnet on a square lattice is followed by Monte Carlo computer simulations. The system always eventually reaches a final, absorbing state, which sometimes coincides with a ground state (all spins parallel), and sometimes does not (parallel stripes of spins up and down). We initiate here the numerical study of 'chaotic time dependence' (CTD) by seeing how much information about the final state is predictable from the randomly generated quenched initial state. CTD was originally proposed to explain how nonequilibrium spin glasses could manifest an equilibrium pure state structure, but in simpler systems such as homogeneous ferromagnets it is closely related to long-term predictability and our results suggest that CTD might indeed occur in the infinite volume limit

  10. High temperature measurement of water vapor absorption

    Science.gov (United States)

    Keefer, Dennis; Lewis, J. W. L.; Eskridge, Richard

    1985-01-01

    An investigation was undertaken to measure the absorption coefficient, at a wavelength of 10.6 microns, for mixtures of water vapor and a diluent gas at high temperature and pressure. The experimental concept was to create the desired conditions of temperature and pressure in a laser absorption wave, similar to that which would be created in a laser propulsion system. A simplified numerical model was developed to predict the characteristics of the absorption wave and to estimate the laser intensity threshold for initiation. A non-intrusive method for temperature measurement utilizing optical laser-beam deflection (OLD) and optical spark breakdown produced by an excimer laser, was thoroughly investigated and found suitable for the non-equilibrium conditions expected in the wave. Experiments were performed to verify the temperature measurement technique, to screen possible materials for surface initiation of the laser absorption wave and to attempt to initiate an absorption wave using the 1.5 kW carbon dioxide laser. The OLD technique was proven for air and for argon, but spark breakdown could not be produced in helium. It was not possible to initiate a laser absorption wave in mixtures of water and helium or water and argon using the 1.5 kW laser, a result which was consistent with the model prediction.

  11. Optimal Dynamics of Intermittent Water Supply

    Science.gov (United States)

    Lieb, Anna; Wilkening, Jon; Rycroft, Chris

    2014-11-01

    In many urban areas of the developing world, piped water is supplied only intermittently, as valves direct water to different parts of the water distribution system at different times. The flow is transient, and may transition between free-surface and pressurized, resulting in complex dynamical features with important consequences for water suppliers and users. These consequences include degradation of distribution system components, compromised water quality, and inequitable water availability. The goal of this work is to model the important dynamics and identify operating conditions that mitigate certain negative effects of intermittent water supply. Specifically, we will look at valve parameters occurring as boundary conditions in a network model of transient, transition flow through closed pipes. Optimization will be used to find boundary values to minimize pressure gradients and ensure equitable water availability.

  12. The sublethal effects of zinc at different water temperatures on ...

    African Journals Online (AJOL)

    The sublethal effects of zinc at different water temperatures on selected ... of 96h at different water temperatures representing the seasonal temperatures in the ... are mobilised to meet increased energy demands during periods of stress.

  13. Operational efficiency of ballast water biocides at low water temperatures

    NARCIS (Netherlands)

    Kaag, N.H.B.M.; Sneekes, A.C.

    2015-01-01

    In the period 2013-2015 the effect of two biocides used for the treatment of ballast water has been evaluated at low ambient temperatures. Peraclean® Ocean and sodium hypochlorite were used as biocides. Most of the tests were conducted during winter and early spring at the laboratories of IMARES in

  14. The effects of strain rate and carbon concentration on the dynamic strain aging of cold rolled Ni-based alloy in high temperature water

    International Nuclear Information System (INIS)

    Kuang, Wenjun; Was, Gary S.

    2015-01-01

    Graphical abstract: The stress amplitude of serrations first increases with decreasing strain rate and then gradually saturates. The matrix carbon concentration affects the stress amplitude and the tendency to saturation. - Abstract: The effect of strain rate on dynamic strain aging of cold-rolled Ni-based alloy was investigated. With decreasing strain rate, the stress amplitude of serrations first increased and then saturated. Compared with the solution-annealed condition, the thermally-treated condition produced smaller stress amplitudes that saturated at a lower strain rate. Observations are consistent with a mechanism in which the locking strength of solute atmospheres first increases with increasing solute atom arrival at dislocations and gradually saturates as solute reaches a critical level

  15. Zircaloy behaviour in high temperature irradiated water

    International Nuclear Information System (INIS)

    Urbanic, V.F.

    1982-04-01

    The corrosion and hydriding of Zircaloy during irradiation in high temperature water is strongly dependent on the oxygen concentration of the water. Corrosion tests in the NRX and NRU research reactors using small samples have demonstrated the importance of water chemistry in maintaining Zircaloy corrosion and hydriding within acceptable limits. Zircaloy fuel cladding develops non-uniform, patch-type oxides during irradiation in hich temperature water containing dissolved oxygen. Results from examinations of prototype fuel cladding irradiated in the research reactors are presented to show how local variations in coolant flow, fast neutron flux, metallurgical structure and surface condition can influence the onset of non-uniform corrosion under these conditions. Destructive examinations of CANDU-PHW reactor fuel cladding have emphasized the importance of good chemistry control, especially the dissolved oxygen concentration of the water. When reactor coolants are maintained under normal reducing conditions at high pH (5 to 10 cm 3 D 2 /kg D 2 O; 2 /kg D 2 O; pH > 10 with LiOD), Zircaloy cladding develops non-uniform, patch-type oxides. These patch-type oxides tend to coalesce with time to form a thick, uniform oxide layer after extended exposure. Under reducing coolant conditions, Zircaloy cladding absorbs less than 200 mg D/kg Zr (approximately 2.5 mg/dm 2 equivalent hydrogen) in about 500 days. With oxygen in the coolant, deuterium absorption is considerably less despite the significant increase in corrosion under such conditions

  16. Morphology, temperature, and eruption dynamics at Pele

    Science.gov (United States)

    Howell, Robert R.; Lopes, Rosaly M. C.

    2011-06-01

    The Pele region of Io has been the site of vigorous volcanic activity from the time of the first Voyager I observations in 1979 up through the final Galileo ones in 2001. There is high-temperature thermal emission from a visibly dark area that is thought to be a rapidly overturning lava lake, and is also the source of a large sulfur-rich plume. We present a new analysis of Voyager I visible wavelength images, and Galileo Solid State Imager (SSI) and Near Infrared Mapping Spectrometer (NIMS) thermal emission observations which better define the morphology of the region and the intensity of the emission. The observations show remarkable correlations between the locations of the emission and the features seen in the Voyager images, which provide insight into eruption mechanisms and constrain the longevity of the activity. We also analyze an additional wavelength channel of NIMS data (1.87 μm) which paradoxically, because of reduced sensitivity, allows us to estimate temperatures at the peak locations of emission. Measurements of eruption temperatures on Io are crucial because they provide our best clues to the composition of the magma. High color temperatures indicative of ultramafic composition have been reported for the Pillan hot spot and possibly for Pele, although recent work has called into question the requirement for magma temperatures above those expected for ordinary basalts. Our new analysis of the Pele emission near the peak of the hot spot shows color temperatures near the upper end of the basalt range during the I27 and I32 encounters. In order to analyze the observed color temperatures we also present an analytical model for the thermal emission from fire-fountains, which should prove generally useful for analyzing similar data. This is a modification of the lava flow emission model presented in Howell (Howell, R.R. [1997]. Icarus 127, 394-407), adapted to the fire-fountain cooling curves first discussed in Keszthelyi et al. (Keszthelyi, L., Jaeger, W

  17. Modeling Apple Surface Temperature Dynamics Based on Weather Data

    Directory of Open Access Journals (Sweden)

    Lei Li

    2014-10-01

    Full Text Available The exposure of fruit surfaces to direct sunlight during the summer months can result in sunburn damage. Losses due to sunburn damage are a major economic problem when marketing fresh apples. The objective of this study was to develop and validate a model for simulating fruit surface temperature (FST dynamics based on energy balance and measured weather data. A series of weather data (air temperature, humidity, solar radiation, and wind speed was recorded for seven hours between 11:00–18:00 for two months at fifteen minute intervals. To validate the model, the FSTs of “Fuji” apples were monitored using an infrared camera in a natural orchard environment. The FST dynamics were measured using a series of thermal images. For the apples that were completely exposed to the sun, the RMSE of the model for estimating FST was less than 2.0 °C. A sensitivity analysis of the emissivity of the apple surface and the conductance of the fruit surface to water vapour showed that accurate estimations of the apple surface emissivity were important for the model. The validation results showed that the model was capable of accurately describing the thermal performances of apples under different solar radiation intensities. Thus, this model could be used to more accurately estimate the FST relative to estimates that only consider the air temperature. In addition, this model provides useful information for sunburn protection management.

  18. Modeling apple surface temperature dynamics based on weather data.

    Science.gov (United States)

    Li, Lei; Peters, Troy; Zhang, Qin; Zhang, Jingjin; Huang, Danfeng

    2014-10-27

    The exposure of fruit surfaces to direct sunlight during the summer months can result in sunburn damage. Losses due to sunburn damage are a major economic problem when marketing fresh apples. The objective of this study was to develop and validate a model for simulating fruit surface temperature (FST) dynamics based on energy balance and measured weather data. A series of weather data (air temperature, humidity, solar radiation, and wind speed) was recorded for seven hours between 11:00-18:00 for two months at fifteen minute intervals. To validate the model, the FSTs of "Fuji" apples were monitored using an infrared camera in a natural orchard environment. The FST dynamics were measured using a series of thermal images. For the apples that were completely exposed to the sun, the RMSE of the model for estimating FST was less than 2.0 °C. A sensitivity analysis of the emissivity of the apple surface and the conductance of the fruit surface to water vapour showed that accurate estimations of the apple surface emissivity were important for the model. The validation results showed that the model was capable of accurately describing the thermal performances of apples under different solar radiation intensities. Thus, this model could be used to more accurately estimate the FST relative to estimates that only consider the air temperature. In addition, this model provides useful information for sunburn protection management.

  19. PEM Water Electrolysis at Elevated Temperatures

    DEFF Research Database (Denmark)

    Hansen, Martin Kalmar

    . This is followed in chapter 4 by a description of the electrolysis setups and electrolysis cells used during the work. Two different setups were used, one operating at atmospheric pressure and another that could operate at elevated pressure so that liquid water electrolysis could be performed at temperature above...... such as porosity and resistance which were supported by images acquired using scanning electron microscopy (SEM). In chapters 6 and 7 the results of the steam electrolysis and pressurised water electrolysis, respectively, are presented and discussed. The steam electrolysis was tested at 130 °C and atmospheric...... needed and hence it has become acute to be able to store the energy. Hydrogen has been identified as a suitable energy carrier and water electrolysis is one way to produce it in a sustainable and environmentally friendly way. In this thesis an introduction to the subject (chapter 1) is given followed...

  20. High concentration agglomerate dynamics at high temperatures.

    Science.gov (United States)

    Heine, M C; Pratsinis, S E

    2006-11-21

    The dynamics of agglomerate aerosols are investigated at high solids concentrations that are typical in industrial scale manufacture of fine particles (precursor mole fraction larger than 10 mol %). In particular, formation and growth of fumed silica at such concentrations by chemical reaction, coagulation, and sintering is simulated at nonisothermal conditions and compared to limited experimental data and commercial product specifications. Using recent chemical kinetics for silica formation by SiCl4 hydrolysis and neglecting aerosol polydispersity, the evolution of the diameter of primary particles (specific surface area, SSA), hard- and soft-agglomerates, along with agglomerate effective volume fraction (volume occupied by agglomerate) is investigated. Classic Smoluchowski theory is fundamentally limited for description of soft-agglomerate Brownian coagulation at high solids concentrations. In fact, these high concentrations affect little the primary particle diameter (or SSA) but dominate the soft-agglomerate diameter, structure, and volume fraction, leading to gelation consistent with experimental data. This indicates that restructuring and fragmentation should affect product particle characteristics during high-temperature synthesis of nanostructured particles at high concentrations in aerosol flow reactors.

  1. Temperature dependence of bulk viscosity in water using acoustic spectroscopy

    International Nuclear Information System (INIS)

    Holmes, M J; Parker, N G; Povey, M J W

    2011-01-01

    Despite its fundamental role in the dynamics of compressible fluids, bulk viscosity has received little experimental attention and there remains a paucity of measured data. Acoustic spectroscopy provides a robust and accurate approach to measuring this parameter. Working from the Navier-Stokes model of a compressible fluid one can show that the bulk viscosity makes a significant and measurable contribution to the frequency-squared acoustic attenuation. Here we employ this methodology to determine the bulk viscosity of Millipore water over a temperature range of 7 to 50 0 C. The measured attenuation spectra are consistent with the theoretical predictions, while the bulk viscosity of water is found to be approximately three times larger than its shear counterpart, reinforcing its significance in acoustic propagation. Moreover, our results demonstrate that this technique can be readily and generally applied to fluids to accurately determine their temperature dependent bulk viscosities.

  2. General corrosion of carbon steels in high temperature water

    International Nuclear Information System (INIS)

    Gras, J.M.

    1994-04-01

    This short paper seeks to provide a summary of the main knowledge about the general corrosion of carbon steels in high temperature water. In pure water or slightly alkaline deaerated water, steels develop a protective coating of magnetite in a double layer (Potter and Mann oxide) or a single layer (Bloom oxide). The morphology of the oxide layer and the kinetics of corrosion depend on the test parameters controlling the solubility of iron. The parameters exercising the greatest influence are partial hydrogen pressure and mass transfer: hydrogen favours the solubilization of the magnetite; the entrainment of the dissolved iron prevents a redeposition of magnetite on the surface of the steel. Cubic or parabolic in static conditions, the kinetics of corrosion tends to be linear in dynamic conditions. In dynamic operation, corrosion is at least one order of magnitude lower in water with a pH of 10 than in pure water with a pH of 7. The activation energy of corrosion is 130 kJ/mol (31 kcal/mol). This results in the doubling of corrosion at around 300 deg C for a temperature increase of 15 deg C. Present in small quantities (100-200 ppb), oxygen decreases general corrosion but increases the risk of pitting corrosion - even for a low chloride content - and stress corrosion cracking or corrosion-fatigue. The steel composition has probably an influence on the kinetics of corrosion in dynamic conditions; further work would be required to clarify the effect of some residual elements. (author). 31 refs., 9 figs., 2 tabs

  3. Evaporation of nanoscale water on a uniformly complete wetting surface at different temperatures.

    Science.gov (United States)

    Guo, Yuwei; Wan, Rongzheng

    2018-05-03

    The evaporation of nanoscale water films on surfaces affects many processes in nature and industry. Using molecular dynamics (MD) simulations, we show the evaporation of a nanoscale water film on a uniformly complete wetting surface at different temperatures. With the increase in temperature, the growth of the water evaporation rate becomes slow. Analyses show that the hydrogen bond (H-bond) lifetimes and orientational autocorrelation times of the outermost water film decrease slowly with the increase in temperature. Compared to a thicker water film, the H-bond lifetimes and orientational autocorrelation times of a monolayer water film are much slower. This suggests that the lower evaporation rate of the monolayer water film on a uniformly complete wetting surface may be caused by the constriction of the water rotation due to the substrate. This finding may be helpful for controlling nanoscale water evaporation within a certain range of temperatures.

  4. Soil Water Dynamics In Central Europe and Brazil

    DEFF Research Database (Denmark)

    Klein, Markus; Mahler, Claudio F.; Trapp, Stefan

    2000-01-01

    The comprehension of the soil water dynamics is important for the study of environmental processes. Precipitation, temperature, and water balance of Rio de Janeiro, Southeast Brazil and locations in Germany, Central Europe, are significantly different. Experience from one region could not be used...... on both approaches are applied to an actual case with the conditions in Germany. This case is also analyzed under the conditions of Rio de Janeiro. The effects of tropical environmental conditions on water transport in unsaturated soils are also discussed....

  5. Analysis of the dynamics of Rhizomucor miehei lipase at different temperatures

    DEFF Research Database (Denmark)

    Peters, Günther H.j.; Toxvaerd, S.; Andersen, K.V.

    1999-01-01

    The dynamics of Rhizomucor miehei lipase has been studied by molecular dynamics simulations at temperatures ranging from 200-500K. Simulations carried out in periodic boundary conditions and using explicit water molecules were performed for 400 ps at each temperature. Our results indicate...... that conformational changes and internal motions in the protein are significantly influenced by the temperature increase. With increasing temperature, the number of internal hydrogen bonds decreases, while surface accessibility, radius of gyration and the number of residues in random coil conformation increase...

  6. Dynamics of the floating water bridge

    International Nuclear Information System (INIS)

    Fuchs, Elmar C; Gatterer, Karl; Holler, Gert; Woisetschlaeger, Jakob

    2008-01-01

    When high voltage is applied to distilled water filled into two beakers close to each other, a water connection forms spontaneously, giving the impression of a floating water bridge (Fuchs et al 2007 J. Phys. D: Appl. Phys. 40 6112-4). This phenomenon is of special interest, since it comprises a number of phenomena currently tackled in modern water science. The build-up mechanism, the chemical properties and the dynamics of this bridge as well as related additional phenomena are presented and discussed

  7. Estimation of paddy water temperature during crop development

    International Nuclear Information System (INIS)

    Centeno, H.G.S.; Horie, T.

    1996-01-01

    The crop meristem is in direct contact with paddy water during crop's vegetative stage. Ambient air temperature becomes an important factor in crop development only when internodes elongate sufficiently for the meristem to rise above the water surface. This does not occur until after panicle initiation. Crop growth at vegetative stage is affected more by water temperature than the most commonly measured air temperature. During transplanting in 1992 dry season, the maximum paddy water temperature was 10 deg C higher than the maximum air temperature. For rice crop models, the development of a submodel to estimate water temperature is important to account the effect of paddy water temperature on plant growth. Paddy water temperature is estimated from mean air temperature, solar radiation, and crop canopy. The parameters of the model were derived using the simplex method on data from the 1993 wet- and dry-season field experiments at IRRI

  8. Dynamic model for a boiling water reactor

    International Nuclear Information System (INIS)

    Muscettola, M.

    1963-07-01

    A theoretical formulation is derived for the dynamics of a boiling water reactor of the pressure tube and forced circulation type. Attention is concentrated on neutron kinetics, fuel element heat transfer dynamics, and the primary circuit - that is the boiling channel, riser, steam drum, downcomer and recirculating pump of a conventional La Mont loop. Models for the steam and feedwater plant are not derived. (author)

  9. Dynamics of water absorption through superabsorbent polymer

    Science.gov (United States)

    Chang, Sooyoung; Kim, Wonjung

    2017-11-01

    Superabsorbent polymers (SAPs) consist of hydrophilic cross-linked polymer networks that can absorb and retain a great amount of water relative to their own mass, so that they are widely used for disposable diapers and holding soil moisture in agriculture. SAPs are typically available in the form of submillimeter-sized particles, and the water absorption is driven by capillary flows between particles as well as diffusion that entail swelling. Although the control of water absorption of SAPs is important in engineering applications, but the dynamics of water absorption in SAP particles has not been fully understood. We examine the dynamics of the water absorption of sodium polyacrylate, one of the most common SAP. We experimentally measured the water absorption of sodium polyacrylate particles in one-dimensional confined channel. The water flows through the particles were analyzed by capillarity dominant at the early stage and by diffusion involving volume expansion critical at a later stage. The results provide a quantitative basis of the hydrodynamic analysis of the water flow through SAP particles from a macroscopic point of view, facilitating the prediction of water uptake of SAPs in hygienic and agricultural applications. This work was supported by the National Research Foundation of Korea (NRF) Grant funded by the Korea government (MSIP) (No.2015R1A2A2A04006181).

  10. Temperature as a tracer of hydrological dynamics in an anchialine cave system with a submarine spring

    Science.gov (United States)

    Domínguez-Villar, David; Cukrov, Neven; Krklec, Kristina

    2018-01-01

    Although temperature is a nonconservative tracer, it often provides useful information to understand hydrological processes. This study explores the potential of temperature to characterize the hydrological dynamics of a submarine spring and its coastal karst aquifer in Krka Estuary (Croatia). The estuary is well stratified and its water column has a clear thermocline. A network of loggers was designed to monitor the temperature along vertical profiles in the estuary and the coastal aquifer, taking advantage of an anchialine cave that enabled access to the subterranean estuary. The location of the thermocline in the groundwater, which defines the upper boundary of the saline intrusion, depends on (1) the recharge of the aquifer via infiltration of precipitation, (2) the evolution of the thermocline in the estuary, and (3) the tidal oscillations. The sources of water flowing though the anchialine cave were identified: brackish water from the estuary above the thermocline, saline water from the estuary below the thermocline, and freshwater from infiltrated precipitation. A conceptual model is described that characterizes the hydrological dynamics of this coastal aquifer and its interactions with the estuary. Thus, at least for some hydrological settings, temperature is a valid tracer to characterize the main hydrological processes. The measurement of temperature is inexpensive compared to other (conservative) tracers. Therefore, for those hydrological settings that have water masses with distinct temperatures, the use of temperature as a tracer to establish conceptual models of the hydrological dynamics is encouraged.

  11. 21 CFR 880.5560 - Temperature regulated water mattress.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Temperature regulated water mattress. 880.5560... Therapeutic Devices § 880.5560 Temperature regulated water mattress. (a) Identification. A temperature regulated water mattress is a device intended for medical purposes that consists of a mattress of suitable...

  12. Effect of supercritical water shell on cavitation bubble dynamics

    International Nuclear Information System (INIS)

    Shao Wei-Hang; Chen Wei-Zhong

    2015-01-01

    Based on reported experimental data, a new model for single cavitation bubble dynamics is proposed considering a supercritical water (SCW) shell surrounding the bubble. Theoretical investigations show that the SCW shell apparently slows down the oscillation of the bubble and cools the gas temperature inside the collapsing bubble. Furthermore, the model is simplified to a Rayleigh–Plesset-like equation for a thin SCW shell. The dependence of the bubble dynamics on the thickness and density of the SCW shell is studied. The results show the bubble dynamics depends on the thickness but is insensitive to the density of the SCW shell. The thicker the SCW shell is, the smaller are the wall velocity and the gas temperature in the bubble. In the authors’ opinion, the SCW shell works as a buffering agent. In collapsing, it is compressed to absorb a good deal of the work transformed into the bubble internal energy during bubble collapse so that it weakens the bubble oscillations. (paper)

  13. Static dielectric constant of water within a bilayer using recent water models: a molecular dynamics study

    Science.gov (United States)

    Meneses-Juárez, Efrain; Rivas-Silva, Juan Francisco; González-Melchor, Minerva

    2018-05-01

    The water confined within a surfactant bilayer is studied using different water models via molecular dynamics simulations. We considered four representative rigid models of water: the SPC/E and the TIP4P/2005, which are commonly used in numerical calculations and the more recent TIP4Q and SPC/ε models, developed to reproduce the dielectric behaviour of pure water. The static dielectric constant of the confined water was analyzed as a function of the temperature for the four models. In all cases it decreases as the temperature increases. Additionally, the static dielectric constant of the bilayer-water system was estimated through its expression in terms of the fluctuations in the total dipole moment, usually applied for isotropic systems. The estimated dielectric was compared with the available experimental data. We found that the TIP4Q and the SPC/ε produce closer values to the experimental data than the other models, particularly at room temperature. It was found that the probability of finding the sodium ion close to the head of the surfactant decreases as the temperature increases, thus the head of the surfactant is more exposed to the interaction with water when the temperature is higher.

  14. Dissimilar Dynamics of Coupled Water Vibrations

    NARCIS (Netherlands)

    Jansen, Thomas L. C.; Cringus, Dan; Pshenichnikov, Maxim S.

    2009-01-01

    Dissimilar dynamics of coupled stretch vibrations of a water molecule are revealed by two-dimensional, IR correlation spectroscopy. These are caused by essentially non-Gaussian fluctuations of the electric field exerted by the environment on the individual OH stretch vibrations. Non-Gaussian

  15. Dynamic Stabilization of Metal Oxide–Water Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    McBriarty, Martin E.; von Rudorff, Guido Falk; Stubbs, Joanne E.; Eng, Peter J.; Blumberger, Jochen; Rosso, Kevin M.

    2017-02-08

    The interaction of water with metal oxide surfaces plays a crucial role in the catalytic and geochemical behavior of metal oxides. In a vast majority of studies, the interfacial structure is assumed to arise from a relatively static lowest energy configuration of atoms, even at room temperature. Using hematite (α-Fe2O3) as a model oxide, we show through a direct comparison of in situ synchrotron X-ray scattering with density functional theory-based molecular dynamics simulations that the structure of the (1102) termination is dynamically stabilized by picosecond water exchange. Simulations show frequent exchanges between terminal aquo groups and adsorbed water in locations and with partial residence times consistent with experimentally determined atomic sites and fractional occupancies. Frequent water exchange occurs even for an ultrathin adsorbed water film persisting on the surface under a dry atmosphere. The resulting time-averaged interfacial structure consists of a ridged lateral arrangement of adsorbed water molecules hydrogen bonded to terminal aquo groups. Surface pKa prediction based on bond valence analysis suggests that water exchange will influence the proton-transfer reactions underlying the acid/base reactivity at the interface. Our findings provide important new insights for understanding complex interfacial chemical processes at metal oxide–water interfaces.

  16. Temperature-dependent dynamical transitions of different classes of amino acid residue in a globular protein.

    Science.gov (United States)

    Miao, Yinglong; Yi, Zheng; Glass, Dennis C; Hong, Liang; Tyagi, Madhusudan; Baudry, Jerome; Jain, Nitin; Smith, Jeremy C

    2012-12-05

    The temperature dependences of the nanosecond dynamics of different chemical classes of amino acid residue have been analyzed by combining elastic incoherent neutron scattering experiments with molecular dynamics simulations on cytochrome P450cam. At T = 100-160 K, anharmonic motion in hydrophobic and aromatic residues is activated, whereas hydrophilic residue motions are suppressed because of hydrogen-bonding interactions. In contrast, at T = 180-220 K, water-activated jumps of hydrophilic side chains, which are strongly coupled to the relaxation rates of the hydrogen bonds they form with hydration water, become apparent. Thus, with increasing temperature, first the hydrophobic core awakens, followed by the hydrophilic surface.

  17. Water temperature issues in the 90's and beyond

    International Nuclear Information System (INIS)

    Railsback, S.F.

    1993-01-01

    Water temperature issues are expected to receive increasing attention in the 1990s. Temperature impacts are among the most common and most expensive environmental issues requiring mitigation at water projects, but few changes in mitigation technologies and little research have occurred in the past decade. Water projects alter water temperatures because the heat balances in reservoirs and in streams with altered flows are significantly different from natural. Several emerging environmental and regulatory concerns and issues are likely to focus additional attention on temperature. Climate change, should it occur as predicted, can be expected to worsen many water temperature problems and complicate the determination of appropriate mitigation for water projects. The purposes of this paper are to review current water temperature issues and mitigation methods, to identify new and future temperature issues, and to identify research needs

  18. The interplay between dynamic heterogeneities and structure of bulk liquid water: A molecular dynamics simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Demontis, Pierfranco; Suffritti, Giuseppe B. [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy); Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di ricerca di Sassari, Via Vienna, 2, I-07100 Sassari (Italy); Gulín-González, Jorge [Grupo de Matemática y Física Computacionales, Universidad de las Ciencias Informáticas (UCI), Carretera a San Antonio de los Baños, Km 21/2, La Lisa, La Habana (Cuba); Masia, Marco [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy); Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di ricerca di Sassari, Via Vienna, 2, I-07100 Sassari (Italy); Istituto Officina dei Materiali del CNR, UOS SLACS, Via Vienna 2, 07100 Sassari (Italy); Sant, Marco [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy)

    2015-06-28

    In order to study the interplay between dynamical heterogeneities and structural properties of bulk liquid water in the temperature range 130–350 K, thus including the supercooled regime, we use the explicit trend of the distribution functions of some molecular properties, namely, the rotational relaxation constants, the atomic mean-square displacements, the relaxation of the cross correlation functions between the linear and squared displacements of H and O atoms of each molecule, the tetrahedral order parameter q and, finally, the number of nearest neighbors (NNs) and of hydrogen bonds (HBs) per molecule. Two different potentials are considered: TIP4P-Ew and a model developed in this laboratory for the study of nanoconfined water. The results are similar for the dynamical properties, but are markedly different for the structural characteristics. In particular, for temperatures higher than that of the dynamic crossover between “fragile” (at higher temperatures) and “strong” (at lower temperatures) liquid behaviors detected around 207 K, the rotational relaxation of supercooled water appears to be remarkably homogeneous. However, the structural parameters (number of NNs and of HBs, as well as q) do not show homogeneous distributions, and these distributions are different for the two water models. Another dynamic crossover between “fragile” (at lower temperatures) and “strong” (at higher temperatures) liquid behaviors, corresponding to the one found experimentally at T{sup ∗} ∼ 315 ± 5 K, was spotted at T{sup ∗} ∼ 283 K and T{sup ∗} ∼ 276 K for the TIP4P-Ew and the model developed in this laboratory, respectively. It was detected from the trend of Arrhenius plots of dynamic quantities and from the onset of a further heterogeneity in the rotational relaxation. To our best knowledge, it is the first time that this dynamical crossover is detected in computer simulations of bulk water. On the basis of the simulation results, the possible

  19. On the behavior of water at subfreezing temperatures in a protein crystal: evidence of higher mobility than in bulk water.

    Science.gov (United States)

    Wang, Dongqi; Böckmann, Anja; Dolenc, Jožica; Meier, Beat H; van Gunsteren, Wilfred F

    2013-10-03

    NMR experiments have shown that water molecules in the crystal of the protein Crh are still mobile at temperatures well below 273 K. In order to investigate this water anomaly, a molecular dynamics (MD) simulation study of crystalline Crh was carried out to determine the mobility of water in this crystal. The simulations were carried out at three temperatures, 150, 200, and 291 K. Simulations of bulk water at these temperatures were also done to obtain the properties of the simple point charge (SPC) water model used at these temperatures and to allow a comparison of the properties of water in the Crh crystal with those of bulk water at the same temperatures. According to the simulations, water is immobilized at 150 K both in crystal and in bulk water. As expected, at 291 K it diffuses and rotates more slowly in the protein crystal than in bulk water. However, at 200 K, the translational and rotational mobility of the water molecules is larger in the crystal than in bulk water. The enhancement of water mobility in the crystal at 200 K was further investigated by MD simulations in which the backbone or all protein atoms were positionally restrained, and in which additionally the electrostatic protein-water interactions were removed. Of these changes in the environment of the water molecules, rigidifying the protein backbones slightly enhanced water diffusion, while it slowed down rotation. In contrast, removal of electrostatic protein-water interactions did not change water diffusion but enhanced rotational motion significantly. Further investigations are required to delineate particular features of the protein crystal that induce the anomalous behavior of water at 200 K.

  20. A Dynamic Framework for Water Security

    Science.gov (United States)

    Srinivasan, Veena; Konar, Megan; Sivapalan, Murugesu

    2017-04-01

    Water security is a multi-faceted problem, going beyond mere balancing of supply and demand. Conventional attempts to quantify water security starting rely on static indices at a particular place and point in time. While these are simple and scalable, they lack predictive or explanatory power. 1) Most static indices focus on specific spatial scales and largely ignore cross-scale feedbacks between human and water systems. 2) They fail to account for the increasing spatial specialization in the modern world - some regions are cities others are agricultural breadbaskets; so water security means different things in different places. Human adaptation to environmental change necessitates a dynamic view of water security. We present a framework that defines water security as an emergent outcome of a coupled socio-hydrologic system. Over the medium term (5-25 years), water security models might hold governance, culture and infrastructure constant, but allow humans to respond to changes and thus predict how water security would evolve. But over very long time-frames (25-100 years), a society's values, norms and beliefs themselves may themselves evolve; these in turn may prompt changes in policy, governance and infrastructure. Predictions of water security in the long term involve accounting for such regime shifts in the cultural and political context of a watershed by allowing the governing equations of the models to change.

  1. Dynamics of water confined in clay minerals

    International Nuclear Information System (INIS)

    Le Caer, S.; Pommeret, S.; Renault, J.Ph.; Lima, M.; Righini, R.; Gosset, D.; Simeone, D.; Bergaya, F.

    2012-01-01

    Ultrafast infrared spectroscopy of the O-D stretching mode of dilute HOD in H 2 O probes the local environment and the hydrogen bond network of confined water. The dynamics of water molecules confined in the interlayer space of montmorillonites (Mt) and in interaction with two types of cations (Li + and Ca 2+ ) but also with the negatively charged siloxane surface are studied. The results evidence that the OD vibrational dynamics is significantly slowed down in confined media: it goes from 1.7 ps in neat water to 2.6 Ps in the case of Li + cations with two water pseudo-layers (2.2-2.3 ps in the case of Ca 2+ cations) and to 4.7 ps in the case of Li + cations with one water pseudo-layer. No significant difference between the two cations is noticed. In this 2D confined geometry (the interlayer space being about 0.6 nm for two water pseudo-layers), the relaxation time constants obtained are comparable to the ones measured in analogous concentrated salt solutions. Nevertheless, and in strong opposition to the observations performed in the liquid phase, anisotropy experiments evidence the absence of rotational motions on a 5 ps time scale, proving that the hydrogen bond network in the interlayer space of the clay mineral is locked at this time scale. (authors)

  2. Dynamics and reactivity of confined water

    International Nuclear Information System (INIS)

    Musat, R.

    2008-01-01

    In the context of new sustainable energy sources quest, the nuclear energy remains a key solution. However, with the development of nuclear technology, problems relating to nuclear waste disposal arise; thus, the radiolysis of water in confined media is extremely important with respect to matters related to long time storage of nuclear waste. Studies in model porous media would allow the projection of a confined water radiolysis simulator. A first step in this direction was made by studying the radiolysis of water confined in Vycor and CPG glasses; this study continues the trend set and investigates the effects of confinement in metal materials upon the water radiolysis allowing the understanding of metal - water radiation induced corrosion. A further/complete understanding of the radiolytic process under confinement requires knowledge of the effect of confinement upon the dynamics of confined molecules and on the evolution of the species produced upon ionizing radiation. In this respect, we have used the OH vibrator as a probe of the hydrogen bond network properties and thus investigated the dynamics of confined water using IR time resolved spectroscopy. The evolution of the hydrated electron under confinement was studied on a nano and picosecond time scale using UV pump - visible probe technique and single shot spectroscopy. (author) [fr

  3. Self-induced temperature gradients in Brownian dynamics

    Science.gov (United States)

    Devine, Jack; Jack, M. W.

    2017-12-01

    Brownian systems often surmount energy barriers by absorbing and emitting heat to and from their local environment. Usually, the temperature gradients created by this heat exchange are assumed to dissipate instantaneously. Here we relax this assumption to consider the case where Brownian dynamics on a time-independent potential can lead to self-induced temperature gradients. In the same way that externally imposed temperature gradients can cause directed motion, these self-induced gradients affect the dynamics of the Brownian system. The result is a coupling between the local environment and the Brownian subsystem. We explore the resulting dynamics and thermodynamics of these coupled systems and develop a robust method for numerical simulation. In particular, by focusing on one-dimensional situations, we show that self-induced temperature gradients reduce barrier-crossing rates. We also consider a heat engine and a heat pump based on temperature gradients induced by a Brownian system in a nonequilibrium potential.

  4. High Temperature Dynamic Pressure Measurements Using Silicon Carbide Pressure Sensors

    Science.gov (United States)

    Okojie, Robert S.; Meredith, Roger D.; Chang, Clarence T.; Savrun, Ender

    2014-01-01

    Un-cooled, MEMS-based silicon carbide (SiC) static pressure sensors were used for the first time to measure pressure perturbations at temperatures as high as 600 C during laboratory characterization, and subsequently evaluated in a combustor rig operated under various engine conditions to extract the frequencies that are associated with thermoacoustic instabilities. One SiC sensor was placed directly in the flow stream of the combustor rig while a benchmark commercial water-cooled piezoceramic dynamic pressure transducer was co-located axially but kept some distance away from the hot flow stream. In the combustor rig test, the SiC sensor detected thermoacoustic instabilities across a range of engine operating conditions, amplitude magnitude as low as 0.5 psi at 585 C, in good agreement with the benchmark piezoceramic sensor. The SiC sensor experienced low signal to noise ratio at higher temperature, primarily due to the fact that it was a static sensor with low sensitivity.

  5. Dynamic analysis of the CTAR (constant temperature adsorption refrigeration) cycle

    International Nuclear Information System (INIS)

    Hassan, H.Z.; Mohamad, A.A.; Al-Ansary, H.A.; Alyousef, Y.M.

    2014-01-01

    The basic SAR (solar-driven adsorption refrigeration) machine is an intermittent cold production system. Recently, the CO-SAR (continuous operation solar-powered adsorption refrigeration) system is developed. The CO-SAR machine is based on the theoretical CTAR (constant temperature adsorption refrigeration) cycle in which the adsorption process takes place at a constant temperature that equals the ambient temperature. Practically, there should be a temperature gradient between the adsorption bed and the surrounding atmosphere to provide a driving potential for heat transfer. In the present study, the dynamic analysis of the CTAR cycle is developed. This analysis provides a comparison between the theoretical and the dynamic operation of the CTAR cycle. The developed dynamic model is based on the D-A adsorption equilibrium equation and the energy and mass balances in the adsorption reactor. Results obtained from the present work demonstrate that, the idealization of the constant temperature adsorption process in the theoretical CTAR cycle is not far from the real situation and can be approached. Furthermore, enhancing the heat transfer between the adsorption bed and the ambient during the bed pre-cooling process helps accelerating the heat rejection process from the adsorption reactor and therefore approaching the isothermal process. - Highlights: • The dynamic analysis of the CTAR (constant temperature adsorption refrigeration) cycle is developed. • The CTAR theoretical and dynamic cycles are compared. • The dynamic cycle approaches the ideal one by enhancing the bed precooling

  6. Dynamically slow processes in supercooled water confined between hydrophobic plates

    Energy Technology Data Exchange (ETDEWEB)

    Franzese, Giancarlo [Departamento de Fisica Fundamental, Universidad de Barcelona, Diagonal 647, Barcelona 08028 (Spain); Santos, Francisco de los, E-mail: gfranzese@ub.ed, E-mail: fdlsant@ugr.e [Departamento de Electromagnetismo y Fisica de la Materia, Universidad de Granada, Fuentenueva s/n, 18071 Granada (Spain)

    2009-12-16

    We study the dynamics of water confined between hydrophobic flat surfaces at low temperature. At different pressures, we observe different behaviors that we understand in terms of the hydrogen bond dynamics. At high pressure, the formation of the open structure of the hydrogen bond network is inhibited and the surfaces can be rapidly dried (dewetted) by formation of a large cavity with decreasing temperature. At lower pressure we observe strong non-exponential behavior of the correlation function, but with no strong increase of the correlation time. This behavior can be associated, on the one hand, to the rapid ordering of the hydrogen bonds that generates heterogeneities and, on the other hand, to the lack of a single timescale as a consequence of the cooperativity in the vicinity of the liquid-liquid critical point that characterizes the phase diagram at low temperature of the water model considered here. At very low pressures, the gradual formation of the hydrogen bond network is responsible for the large increase of the correlation time and, eventually, the dynamical arrest of the system, with a strikingly different dewetting process, characterized by the formation of many small cavities.

  7. Dynamically slow processes in supercooled water confined between hydrophobic plates

    International Nuclear Information System (INIS)

    Franzese, Giancarlo; Santos, Francisco de los

    2009-01-01

    We study the dynamics of water confined between hydrophobic flat surfaces at low temperature. At different pressures, we observe different behaviors that we understand in terms of the hydrogen bond dynamics. At high pressure, the formation of the open structure of the hydrogen bond network is inhibited and the surfaces can be rapidly dried (dewetted) by formation of a large cavity with decreasing temperature. At lower pressure we observe strong non-exponential behavior of the correlation function, but with no strong increase of the correlation time. This behavior can be associated, on the one hand, to the rapid ordering of the hydrogen bonds that generates heterogeneities and, on the other hand, to the lack of a single timescale as a consequence of the cooperativity in the vicinity of the liquid-liquid critical point that characterizes the phase diagram at low temperature of the water model considered here. At very low pressures, the gradual formation of the hydrogen bond network is responsible for the large increase of the correlation time and, eventually, the dynamical arrest of the system, with a strikingly different dewetting process, characterized by the formation of many small cavities.

  8. Shrub water use dynamics in arctic Alaska

    Science.gov (United States)

    Clark, J.; Young-Robertson, J. M.; Tape, K. D.

    2016-12-01

    In the Arctic tundra, hydrologic processes influence the majority of ecosystem processes, from soil thermal dynamics to energy balance and trace gas exchange to vegetation community distributions. The tundra biome is experiencing a broad spectrum of ecosystem changes spurred by 20th century warming, including deciduous shrub expansion. Deciduous woody vegetation typically has high water use rates compared to evergreen and herbaceous species, and is projected to have a greater impact on energy balance than altered albedo from changes in snowpack. However, the impact of greater shrub cover on water balance has been overlooked. Shrubs have the potential to significantly dry the soil, accessing stored soil moisture in the organic layers, while increasing atmospheric moisture. The goal of this study is to quantify the water use dynamics (sap flux and stem water content) of three common arctic shrub species (Salix alexensis, S. pulchra, Betula nana) over two growing seasons. Stem water content was measured through a novel application of time domain reflectometry (TDR). Maximum sap flow rates varied by species: S. alexensis-600g/hr, S. pulchra-60g/hr, and B. nana-40g/hr. We found daily sap flow rates are highly correlated with atmospheric moisture demand (VPD) and not limited by soil moisture or antecedent precipitation. Stem water content varied between 20% and 60%, was correlated with soil moisture, and showed weak diurnal variation. This is one of the first studies to provide a detailed look at arctic tundra shrub water balance and explore the environmental controls on water flux. Planned future work will expand on these results for estimates of evapotranspiration over larger landscape areas.

  9. Water, gravity and trees: Relationship of tree-ring widths and total water storage dynamics

    Science.gov (United States)

    Creutzfeldt, B.; Heinrich, I.; Merz, B.; Blume, T.; Güntner, A.

    2012-04-01

    Water stored in the subsurface as groundwater or soil moisture is the main fresh water source not only for drinking water and food production but also for the natural vegetation. In a changing environment water availability becomes a critical issue in many different regions. Long-term observations of the past are needed to improve the understanding of the hydrological system and the prediction of future developments. Tree ring data have repeatedly proved to be valuable sources for reconstructing long-term climate dynamics, e.g. temperature, precipitation and different hydrological variables. In water-limited environments, tree growth is primarily influenced by total water stored in the subsurface and hence, tree-ring records usually contain information about subsurface water storage. The challenge is to retrieve the information on total water storage from tree rings, because a training dataset of water stored in the sub-surface is required for calibration against the tree-ring series. However, measuring water stored in the subsurface is notoriously difficult. We here present high-precision temporal gravimeter measurements which allow for the depth-integrated quantification of total water storage dynamics at the field scale. In this study, we evaluate the relationship of total water storage change and tree ring growth also in the context of the complex interactions of other meteorological forcing factors. A tree-ring chronology was derived from a Norway spruce stand in the Bavarian Forest, Germany. Total water storage dynamics were measured directly by the superconducting gravimeter of the Geodetic Observatory Wettzell for a 9-years period. Time series were extended to 63-years period by a hydrological model using gravity data as the only calibration constrain. Finally, water storage changes were reconstructed based on the relationship between the hydrological model and the tree-ring chronology. Measurement results indicate that tree-ring growth is primarily

  10. Evidence of a low temperature dynamical transition in concentrated PNIPAM microgels

    OpenAIRE

    Zanatta, Marco; Tavagnacco, Letizia; Buratti, Elena; Bertoldo, Monica; Natali, Francesca; Chiessi, Ester; Orecchini, Andrea; Zaccarelli, Emanuela

    2018-01-01

    The occurrence of a dynamical transition at low temperature has been reported in a large number of different proteins. Here we provide the first observation of a "protein-like" dynamical transition in a non-biological aqueous environment. To this aim we exploit the popular colloidal system of poly-N-isopropylacrylamide (PNIPAM) microgels, extending their investigation to unprecedentedly high concentrations. Thanks to the heterogeneous polymeric architecture of the microgels, water crystalliza...

  11. Corrosion in the SCWR: insights from molecular dynamics simulations of the supercritical water - iron hydroxide interface

    Energy Technology Data Exchange (ETDEWEB)

    Kallikragas, D.; Plugatyr, A.; Svishchev, I.M., E-mail: dimitrioskallikragas@trentu.ca [Trent University, Peterborough, Ontario (Canada)

    2013-07-01

    The adsorption properties of supercritical water confined between parallel iron (II) hydroxide surfaces were determined through molecular dynamics simulations. Simulations were conducted at temperatures and water densities typically found in the heat transport system of the supercritical water cooled nuclear reactor (SCWR). Surface water layer densities were compared to those of the bulk water. Adsorption coverage was calculated as a function of the number of waters per surface OH group. Images of the water molecules configurations are provided along with the density profile of the adsorption layer. The observed localized adsorption and surface clustering of supercritical water, would likely produce more localized corrosion phenomena in the water bearing components of the SCWR. (author)

  12. Water dynamics in different biochar fractions.

    Science.gov (United States)

    Conte, Pellegrino; Nestle, Nikolaus

    2015-09-01

    Biochar is a carbonaceous porous material deliberately applied to soil to improve its fertility. The mechanisms through which biochar acts on fertility are still poorly understood. The effect of biochar texture size on water dynamics was investigated here in order to provide information to address future research on nutrient mobility towards plant roots as biochar is applied as soil amendment. A poplar biochar has been stainless steel fractionated in three different textured fractions (1.0-2.0 mm, 0.3-1.0 mm and <0.3 mm, respectively). Water-saturated fractions were analyzed by fast field cycling (FFC) NMR relaxometry. Results proved that 3D exchange between bound and bulk water predominantly occurred in the coarsest fraction. However, as porosity decreased, water motion was mainly associated to a restricted 2D diffusion among the surface-site pores and the bulk-site ones. The X-ray μ-CT imaging analyses on the dry fractions revealed the lowest surface/volume ratio for the coarsest fraction, thereby corroborating the 3D water exchange mechanism hypothesized by FFC NMR relaxometry. However, multi-micrometer porosity was evidenced in all the samples. The latter finding suggested that the 3D exchange mechanism cannot even be neglected in the finest fraction as previously excluded only on the basis of NMR relaxometry results. X-ray μ-CT imaging showed heterogeneous distribution of inorganic materials inside all the fractions. The mineral components may contribute to the water relaxation mechanisms by FFC NMR relaxometry. Further studies are needed to understand the role of the inorganic particles on water dynamics. Copyright © 2015 John Wiley & Sons, Ltd.

  13. The effects of fire temperatures on water soluble heavy metals.

    Science.gov (United States)

    Pereira, P.; Ubeda, X.; Martin, D. A.

    2009-04-01

    Fire ash are majority composed by base cations, however the mineralized organic matter, led also available to transport a higher quantity of heavy metals that potentially could increase a toxicity in soil and water resources. The amount availability of these elements depend on the environment were the fire took place, burning temperature and combusted tree specie. The soil and water contamination from fire ash has been neglected, because the majority of studies are focused on base cations dynamic. Our research, beside contemplate major elements, is focused in to study the behavior of heavy metals released from ash slurries created at several temperatures under laboratory environment, prescribed fires and wildland fires. The results presented in these communication are preliminary and study the presence of Aluminium (Al3+), Manganese (Mn2+), Iron (Fe2+) and Zinc (Zn2+) of ash slurries generated in laboratory environment at several temperatures (150°, 200°, 250°, 300°, 350°, 400°,450°, 500°, 550°C) from Quercus suber, Quercus robur, Pinus pinea and Pinus pinaster and from a low medium temperature prescribed fire in a forest dominated Quercus suber trees. We observed that ash produced at lower and medium temperatures (Pinus ashes. Fe2+ and Zn2+ showed a reduced concentration in test solution in relation to unburned sample at all temperatures of exposition. In the results obtained from prescribed fire, we identify a higher release of Al3+ and a decrease of the remain elements. The solubilization of these elements are related with pH levels and ash calcite content, because their ability to capture ions in solution. Moreover, the amount and the type of ions released in relation to unburned sample vary in each specie. In this study Al3+ release is related with Quercus species and Mn2+ with Pinus species. Fire ashes can be an environmental problem, because at long term can increase soil acidity. After all base cations have being leached, pH values decrease, and

  14. Effects of air temperature and discharge on Upper Mississippi River summer water temperatures

    Science.gov (United States)

    Gray, Brian R.; Robertson, Dale M.; Rogala, James T.

    2018-01-01

    Recent interest in the potential effects of climate change has prompted studies of air temperature and precipitation associations with water temperatures in rivers and streams. We examined associations between summer surface water temperatures and both air temperature and discharge for 5 reaches of the Upper Mississippi River during 1994–2011. Water–air temperature associations at a given reach approximated 1:1 when estimated under an assumption of reach independence but declined to approximately 1:2 when water temperatures were permitted to covary among reaches and were also adjusted for upstream air temperatures. Estimated water temperature–discharge associations were weak. An apparently novel feature of this study is that of addressing changes in associations between water and air temperatures when both are correlated among reaches.

  15. Compton scattering at finite temperature: thermal field dynamics approach

    International Nuclear Information System (INIS)

    Juraev, F.I.

    2006-01-01

    Full text: Compton scattering is a classical problem of quantum electrodynamics and has been studied in its early beginnings. Perturbation theory and Feynman diagram technique enables comprehensive analysis of this problem on the basis of which famous Klein-Nishina formula is obtained [1, 2]. In this work this problem is extended to the case of finite temperature. Finite-temperature effects in Compton scattering is of practical importance for various processes in relativistic thermal plasmas in astrophysics. Recently Compton effect have been explored using closed-time path formalism with temperature corrections estimated [3]. It was found that the thermal cross section can be larger than that for zero-temperature by several orders of magnitude for the high temperature realistic in astrophysics [3]. In our work we use a main tool to account finite-temperature effects, a real-time finite-temperature quantum field theory, so-called thermofield dynamics [4, 5]. Thermofield dynamics is a canonical formalism to explore field-theoretical processes at finite temperature. It consists of two steps, doubling of Fock space and Bogolyubov transformations. Doubling leads to appearing additional degrees of freedom, called tilded operators which together with usual field operators create so-called thermal doublet. Bogolyubov transformations make field operators temperature-dependent. Using this formalism we treat Compton scattering at finite temperature via replacing in transition amplitude zero-temperature propagators by finite-temperature ones. As a result finite-temperature extension of the Klein-Nishina formula is obtained in which differential cross section is represented as a sum of zero-temperature cross section and finite-temperature correction. The obtained result could be useful in quantum electrodynamics of lasers and for relativistic thermal plasma processes in astrophysics where correct account of finite-temperature effects is important. (author)

  16. Thermal infrared remote sensing of water temperature in riverine landscapes

    Science.gov (United States)

    Handcock, Rebecca N.; Torgersen, Christian E.; Cherkauer, Keith A.; Gillespie, Alan R.; Klement, Tockner; Faux, Russell N.; Tan, Jing; Carbonneau, Patrice E.; Piégay, Hervé

    2012-01-01

    Water temperature in riverine landscapes is an important regional indicator of water quality that is influenced by both ground- and surface-water inputs, and indirectly by land use in the surrounding watershed (Brown and Krygier, 1970; Beschta et al., 1987; Chen et al., 1998; Poole and Berman, 2001).Coldwater fishes such as salmon and trout are sensitive to elevated water temperature; therefore, water temperature must meet management guidelines and quality standards, which aim to create a healthy environment for endangered populations (McCullough et al., 2009). For example, in the USA, the Environmental Protection Agency (EPA) has established water quality standards to identify specific temperature criteria to protect coldwater fishes (Environmental Protection Agency, 2003). Trout and salmon can survive in cool-water refugia even when temperatures at other measurement locations are at or above the recommended maximums (Ebersole et al., 2001; Baird and Krueger, 2003; High et al., 2006). Spatially extensive measurements of water temperature are necessary to locate these refugia, to identify the location of ground- and surface-water inputs to the river channel, and to identify thermal pollution sources. Regional assessment of water temperature in streams and rivers has been limited by sparse sampling in both space and time. Water temperature has typically been measured using a network of widely distributed instream gages, which record the temporal change of the bulk, or kinetic, temperature of the water (Tk) at specific locations. For example, the State of Washington (USA) recorded water quality conditions at 76 stations within the Puget Lowlands eco region, which contains 12,721 km of streams and rivers (Washington Department of Ecology, 1998). Such gages are sparsely distributed, are typically located only in larger streams and rivers, and give limited information about the spatial distribution of water temperature.

  17. Upgrade of the cooling water temperature measures system for HLS

    International Nuclear Information System (INIS)

    Guo Weiqun; Liu Gongfa; Bao Xun; Jiang Siyuan; Li Weimin; He Duohui

    2007-01-01

    The cooling water temperature measures system for HLS (Hefei Light Source) adopts EPICS to the developing platform and takes the intelligence temperature cruise instrument for the front control instrument. Data of temperatures are required by IOCs through Serial Port Communication, archived and searched by Channel Archiver. The system can monitor the real-time temperatures of many channels cooling water and has the function of history data storage, and data network search. (authors)

  18. Effects of Temperature and Growing Seasons on Crop Water ...

    African Journals Online (AJOL)

    PROF HORSFALL

    The crop water requirement (CWR) depends on several factors including temperature and ...... infrastructure for collection, treatment and recycling of wastewater (MOEP, 2010 .... blue and grey water footprint of crops and derived crop products ...

  19. Dynamic response of IPEN experimental water loop

    International Nuclear Information System (INIS)

    Faya, A.J.G.; Bassel, W.S.

    1982-10-01

    A mathematical model has been developed to analyze the transient thermal response of the I.P.E.N. water loop during change of power operations. The model is capable of estimating the necessary test section power and heat exchanger mass flow rate for a given operating temperature. It can also determine the maximum heating or cooling rate to avoid thermal shocks in pipes and components. (Author) [pt

  20. Effect of temperature on the population dynamics of Aedes aegypti

    Science.gov (United States)

    Yusoff, Nuraini; Tokachil, Mohd Najir

    2015-10-01

    Aedes aegypti is one of the main vectors in the transmission of dengue fever. Its abundance may cause the spread of the disease to be more intense. In the study of its biological life cycle, temperature was found to increase the development rate of each stage of this species and thus, accelerate the process of the development from egg to adult. In this paper, a Lefkovitch matrix model will be used to study the stage-structured population dynamics of Aedes aegypti. In constructing the transition matrix, temperature will be taken into account. As a case study, temperature recorded at the Subang Meteorological Station for year 2006 until 2010 will be used. Population dynamics of Aedes aegypti at maximum, average and minimum temperature for each year will be simulated and compared. It is expected that the higher the temperature, the faster the mosquito will breed. The result will be compared to the number of dengue fever incidences to see their relationship.

  1. High temperature gas dynamics an introduction for physicists and engineers

    CERN Document Server

    Bose, Tarit K

    2014-01-01

    High Temperature Gas Dynamics is a primer for scientists, engineers, and students who would like to have a basic understanding of the physics and the behavior of high-temperature gases. It is a valuable tool for astrophysicists as well. The first chapters treat the basic principles of quantum and statistical mechanics and how to derive thermophysical properties from them. Special topics are included that are rarely found in other textbooks, such as the thermophysical and transport properties of multi-temperature gases and a novel method to compute radiative transfer. Furthermore, collision processes between different particles are discussed. Separate chapters deal with the production of high-temperature gases and with electrical emission in plasmas, as well as related diagnostic techniques.This new edition adds over 100 pages and includes the following updates: several sections on radiative properties of high temperature gases and various radiation models, a section on shocks in magneto-gas-dynamics, a sectio...

  2. Cooling-water amounts, temperature, and the environment

    International Nuclear Information System (INIS)

    Koops, F.B.J.; Donze, M.; Hadderingh, R.H.

    1979-01-01

    The release of heat from power plants into a water can take place with relative small quantities of cooling water, highly warmed up accordingly, or with large quantities of cooling water slightly warmed up. The utilization of cooling water is bound to certain guidelines established by the authorities. With the intention to protect the environment, the admissable temperatures and warming-up have been strictly limited by the authorities. In the Netherlands, we have presently temporary cooling water guidelines which allow a max. temperature of the cooling water in the cooling cycle of 30 0 C and a maximum admissible temperature rise in the condenser between 7 0 C during summer and 15 0 C during winter. It has also been determined in these requirements how much cooling water at least has to be used to discharge a specified quantity of heat. Plankton, spawn and young fish are dragged with the cooling water. Harm to these organisms can be caused mechanically by pumps, sieves and the condenser or they can be harmed by the temperature rise in the condenser. Investigations showed that mechanical harm to spawn and young fish in the cooling water flow should not be ignored, and that detectable harm to plankton organisms takes place only at water temperatures above 32 0 C. The cooling water consumption can therefore be optimised as follows: The solution of a greater temperature increase and a slightly higher value for the temperature maximum can reduce the cooling water quantity. This reduction of the cooling water quantity reduces the destruction of the fish quantity, which gets into the cooling water system, especially during the summer. If the temperature rise and the temperature itself are not selected too high, the destruction of fish may be reduced without causing serious damage to the plankton. (orig.) [de

  3. Water balance dynamics in the Nile Basin

    Science.gov (United States)

    Senay, Gabriel B.; Asante, Kwabena; Artan, Guleid A.

    2009-01-01

    Understanding the temporal and spatial dynamics of key water balance components of the Nile River will provide important information for the management of its water resources. This study used satellite-derived rainfall and other key weather variables derived from the Global Data Assimilation System to estimate and map the distribution of rainfall, actual evapotranspiration (ETa), and runoff. Daily water balance components were modelled in a grid-cell environment at 0·1 degree (∼10 km) spatial resolution for 7 years from 2001 through 2007. Annual maps of the key water balance components and derived variables such as runoff and ETa as a percent of rainfall were produced. Generally, the spatial patterns of rainfall and ETa indicate high values in the upstream watersheds (Uganda, southern Sudan, and southwestern Ethiopia) and low values in the downstream watersheds. However, runoff as a percent of rainfall is much higher in the Ethiopian highlands around the Blue Nile subwatershed. The analysis also showed the possible impact of land degradation in the Ethiopian highlands in reducing ETa magnitudes despite the availability of sufficient rainfall. Although the model estimates require field validation for the different subwatersheds, the runoff volume estimate for the Blue Nile subwatershed is within 7·0% of a figure reported from an earlier study. Further research is required for a thorough validation of the results and their integration with ecohydrologic models for better management of water and land resources in the various Nile Basin ecosystems.

  4. Structure and dynamics of interfacial water. Role of hydratation water in the globular proteins dynamics

    International Nuclear Information System (INIS)

    Zanotti, J.M.

    1997-01-01

    This memoir includes five chapters. In the first chapter, are given the elements of the neutrons scattering theory that is used in this study. the second chapter is devoted to a general presentation of the interaction between biological macro molecule and water. The third part is dedicated to the study of the structure and the dynamics of interfacial water in the neighbouring of model systems, the vycor and the amorphous carbon. The results presented in this part are compared with these one relative to water dynamics at the C-phycocyanin surface. This study makes the object of the fourth chapter. Then, in the fifth and last chapter are discussed the results relative to the role of hydratation on the parv-albumin dynamics for which have been combined the neutron quasi elastic incoherent scattering and the nuclear magnetic resonance of the carbon 13 solid in natural abundance

  5. Water and suspended sediment dynamics in the Sungai Selangor estuary

    International Nuclear Information System (INIS)

    Abdul Kadir Ishak; Kamarudin Samuding; Nazrul Hizam Yusoff

    2000-01-01

    Observations of salinity, temperature, suspended sediment concentration (SSC) and tidal current velocity were made in the lower and along the longitudinal axis sungai Selangor estuary over near-spring cycles. The variations of these parameters at the measurement stations and along the channel are presented to illustrate the water and sediment dynamics in the estuary. The results shows that the Sungai Selangor estuary changes from a partially-mixed type during neaps to a well-mixed one during springs. promoted by stronger tidal energy during the higher tidal ranges. The strong neap density stratification is also promoted by the high river discharges during the measurement period maximum concentration of suspended sediment 2000 mg,'/) occurs during maximum current velocities both during flood and ebb. The maximum salinity was achieved during high water slack but the salt water was totally flushed out of estuary during low water springs. The longitudinal axis measurement indicates that a partially-developed zone of turbidity maximum with a sediment concentration over 1000 mg/l was observed at the limit of salt water intrusion in salinity range less than 1 ppt. Tidal pumping as oppose to the estuarine circulation is the more dominant factor in the maximum formation as the salt water is totally excluded at low water. (author)

  6. Low temperature barrier wellbores formed using water flushing

    Science.gov (United States)

    McKinzie, II; John, Billy [Houston, TX; Keltner, Thomas Joseph [Spring, TX

    2009-03-10

    A method of forming an opening for a low temperature well is described. The method includes drilling an opening in a formation. Water is introduced into the opening to displace drilling fluid or indigenous gas in the formation adjacent to a portion of the opening. Water is produced from the opening. A low temperature fluid is applied to the opening.

  7. Cumulant approach to dynamical correlation functions at finite temperatures

    International Nuclear Information System (INIS)

    Tran Minhtien.

    1993-11-01

    A new theoretical approach, based on the introduction of cumulants, to calculate thermodynamic averages and dynamical correlation functions at finite temperatures is developed. The method is formulated in Liouville instead of Hilbert space and can be applied to operators which do not require to satisfy fermion or boson commutation relations. The application of the partitioning and projection methods for the dynamical correlation functions is discussed. The present method can be applied to weakly as well as to strongly correlated systems. (author). 9 refs

  8. Rubberlike Dynamics in Sulphur above the λ-Transition Temperature

    International Nuclear Information System (INIS)

    Monaco, G.; Crapanzano, L.; Crichton, W.; Mezouar, M.; Verbeni, R.; Bellissent, R.; Fioretto, D.; Scarponi, F.

    2005-01-01

    The high-frequency acoustic dynamics of sulfur across the liquid-liquid, λ transition has been studied using inelastic x-ray scattering. The combination of these high-frequency data with lower frequency, literature data indicates that liquid sulfur develops, in the high-temperature, polymeric solution phase, some characteristic features of a rubber. In particular, entanglement coupling among polymeric chains plays a relevant role in the dynamics of this liquid phase

  9. Dynamic Model of the High Temperature Proton Exchange Membrane Fuel Cell Stack Temperature

    DEFF Research Database (Denmark)

    Andreasen, Søren Juhl; Kær, Søren Knudsen

    2009-01-01

    The present work involves the development of a model for predicting the dynamic temperature of a high temperature proton exchange membrane (HTPEM) fuel cell stack. The model is developed to test different thermal control strategies before implementing them in the actual system. The test system co...... elements for start-up, heat conduction through stack insulation, cathode air convection, and heating of the inlet gases in the manifold. Various measurements are presented to validate the model predictions of the stack temperatures....

  10. Dynamic Uniaxial Compression of HSLA-65 Steel at Elevated Temperatures

    Science.gov (United States)

    Dike, Shweta; Wang, Tianxue; Zuanetti, Bryan; Prakash, Vikas

    2017-12-01

    In the present study, the dynamic response of a high-strength, low alloy Grade 65 (HSLA-65) steel, used by the United States Navy for ship hull construction, is investigated under dynamic uniaxial compression at temperatures ranging from room temperature to 1000 °C using a novel elevated temperature split-Hopkinson pressure bar. These experiments are designed to probe the dynamic response of HSLA-65 steel in its single α-ferrite phase, mixed α + γ-austenite phase, and the single γ-austenite phase, as a function of temperature. The investigation is conducted at two different average strain rates—1450 and 2100/s. The experimental results indicate that at test temperatures in the range from room temperature to lower than 600 °C, i.e. prior to the development of the mixed α + γ phase, a net softening in flow strength is observed at all levels of plastic strain with increase in test temperatures. As the test temperatures are increased, the rate of this strain softening with temperature is observed to decrease, and at 600 °C the trend reverses itself resulting in an increase in flow stress at all strains tested. This increase in flow stress is understood be due to dynamic strain aging, where solute atoms play a distinctive role in hindering dislocation motion. At 800 °C, a (sharp) drop in the flow stress, equivalent to one-half of its value at room temperature, is observed. As the test temperature are increased to 900 and 1000 °C, further drop in flow stress are observed at all plastic strain levels. In addition, strain hardening in flow stress is observed at all test temperatures up to 600 °C; beyond 800 °C the rate of strain hardening is observed to decrease, with strain softening becoming dominant at temperatures of 900 °C and higher. Moreover, comparing the high strain rate stress versus strain data gathered on HSLA 65 in the current investigation with those available in the literature at quasi-static strain rates, strain-rate hardening can be

  11. High-temperature annealing of graphite: A molecular dynamics study

    Science.gov (United States)

    Petersen, Andrew; Gillette, Victor

    2018-05-01

    A modified AIREBO potential was developed to simulate the effects of thermal annealing on the structure and physical properties of damaged graphite. AIREBO parameter modifications were made to reproduce Density Functional Theory interstitial results. These changes to the potential resulted in high-temperature annealing of the model, as measured by stored-energy reduction. These results show some resemblance to experimental high-temperature annealing results, and show promise that annealing effects in graphite are accessible with molecular dynamics and reactive potentials.

  12. The dynamics of temperature and light on the growth of phytoplankton.

    Science.gov (United States)

    Chen, Ming; Fan, Meng; Liu, Rui; Wang, Xiaoyu; Yuan, Xing; Zhu, Huaiping

    2015-11-21

    Motivated by some lab and field observations of the hump shaped effects of water temperature and light on the growth of phytoplankton, a bottom-up nutrient phytoplankton model, which incorporates the combined effects of temperature and light, is proposed and analyzed to explore the dynamics of phytoplankton bloom. The population growth model reasonably captures such observed dynamics qualitatively. An ecological reproductive index is defined to characterize the growth of the phytoplankton which also allows a comprehensive analysis of the role of temperature and light on the growth and reproductive characteristics of phytoplankton in general. The model provides a framework to study the mechanisms of phytoplankton dynamics in shallow lake and may even be employed to study the controlled phytoplankton bloom. Copyright © 2015 Elsevier Ltd. All rights reserved.

  13. Water level sensor and temperature profile detector

    International Nuclear Information System (INIS)

    Tokarz, R.D.

    1983-01-01

    A temperature profile detector comprising a surrounding length of metal tubing and an interior electrical conductor both constructed of high temperature high electrical resistance materials. A plurality of gas-filled expandable bellows made of electrically conductive material is electrically connected to the interior electrical conductor and positioned within the length of metal tubing. The bellows are sealed and contain a predetermined volume of a gas designed to effect movement of the bellows from an open circuit condition to a closed circuit condition in response to monitored temperature changes sensed by each bellows

  14. Water level sensor and temperature profile detector

    Science.gov (United States)

    Tokarz, Richard D.

    1983-01-01

    A temperature profile detector comprising a surrounding length of metal tubing and an interior electrical conductor both constructed of high temperature high electrical resistance materials. A plurality of gas-filled expandable bellows made of electrically conductive material is electrically connected to the interior electrical conductor and positioned within the length of metal tubing. The bellows are sealed and contain a predetermined volume of a gas designed to effect movement of the bellows from an open circuit condition to a closed circuit condition in response to monitored temperature changes sensed by each bellows.

  15. Temperature noise characteristics of pressurized water reactors

    International Nuclear Information System (INIS)

    Sweeney, F.J.; Upadhyaya, B.R.

    1984-01-01

    The core exit temperature noise RMS is linearly related to the core ΔT at a commercial PWR and LOFT. Test loop observations indicate that this linear behavior becomes nonlinear with blockages, boiling, or power skews. The linear neutron flux to temperature noise phase behavior is indicative of a pure time delay process, which has been shown to be related to coolant flow velocity in the core. Therefore, temperature noise could provide a valuable diagnostic tool for the detection of coolant blockages, boiling, and sensor malfunction under both normal and accident conditions in a PWR

  16. Monitoring water phase dynamics in winter clouds

    Science.gov (United States)

    Campos, Edwin F.; Ware, Randolph; Joe, Paul; Hudak, David

    2014-10-01

    This work presents observations of water phase dynamics that demonstrate the theoretical Wegener-Bergeron-Findeisen concepts in mixed-phase winter storms. The work analyzes vertical profiles of air vapor pressure, and equilibrium vapor pressure over liquid water and ice. Based only on the magnitude ranking of these vapor pressures, we identified conditions where liquid droplets and ice particles grow or deplete simultaneously, as well as the conditions where droplets evaporate and ice particles grow by vapor diffusion. The method is applied to ground-based remote-sensing observations during two snowstorms, using two distinct microwave profiling radiometers operating in different climatic regions (North American Central High Plains and Great Lakes). The results are compared with independent microwave radiometer retrievals of vertically integrated liquid water, cloud-base estimates from a co-located ceilometer, reflectivity factor and Doppler velocity observations by nearby vertically pointing radars, and radiometer estimates of liquid water layers aloft. This work thus makes a positive contribution toward monitoring and nowcasting the evolution of supercooled droplets in winter clouds.

  17. Dynamic Leidenfrost temperature on micro-textured surfaces: Acoustic wave absorption into thin vapor layer

    Science.gov (United States)

    Jerng, Dong Wook; Kim, Dong Eok

    2018-01-01

    The dynamic Leidenfrost phenomenon is governed by three types of pressure potentials induced via vapor hydrodynamics, liquid dynamic pressure, and the water hammer effect resulting from the generation of acoustic waves at the liquid-vapor interface. The prediction of the Leidenfrost temperature for a dynamic droplet needs quantitative evaluation and definition for each of the pressure fields. In particular, the textures on a heated surface can significantly affect the vapor hydrodynamics and the water hammer pressure. We present a quantitative model for evaluating the water hammer pressure on micro-textured surfaces taking into account the absorption of acoustic waves into the thin vapor layer. The model demonstrates that the strength of the acoustic flow into the liquid droplet, which directly contributes to the water hammer pressure, depends on the magnitude of the acoustic resistance (impedance) in the droplet and the vapor region. In consequence, the micro-textures of the surface and the increased spacing between them reduce the water hammer coefficient ( kh ) defined as the ratio of the acoustic flow into the droplet to total generated flow. Aided by numerical calculations that solve the laminar Navier-Stokes equation for the vapor flow, we also predict the dynamic Leidenfrost temperature on a micro-textured surface with reliable accuracy consistent with the experimental data.

  18. Mechanism of high-temperature resistant water-base mud

    Energy Technology Data Exchange (ETDEWEB)

    Luo, P

    1981-01-01

    Based on experiments, the causes and laws governing the changes in the performance of water-base mud under high temperature are analyzed, and the requisites and mechanism of treating agents resisting high temperature are discussed. Ways and means are sought for inhibiting, delaying and making use of the effect of high temperature on the performance of mud, while new ideas and systematic views have been expressed on the preparation of treating agents and set-up of a high temperature resistant water-base mud system. High temperature dispersion and high temperature surface inactivation of clay in the mud, as well as their effect and method of utilization are reviewed. Subjects also touched upon include degradation and cross-linking of the high-temperature resistant treating agents, their use and effect. Based on the above, the preparation of a water-base and system capable of resisting 180 to 250/sup 0/C is recommended.

  19. Finite temperature dynamics of a Holstein polaron: The thermo-field dynamics approach

    Science.gov (United States)

    Chen, Lipeng; Zhao, Yang

    2017-12-01

    Combining the multiple Davydov D2 Ansatz with the method of thermo-field dynamics, we study finite temperature dynamics of a Holstein polaron on a lattice. It has been demonstrated, using the hierarchy equations of motion method as a benchmark, that our approach provides an efficient, robust description of finite temperature dynamics of the Holstein polaron in the simultaneous presence of diagonal and off-diagonal exciton-phonon coupling. The method of thermo-field dynamics handles temperature effects in the Hilbert space with key numerical advantages over other treatments of finite-temperature dynamics based on quantum master equations in the Liouville space or wave function propagation with Monte Carlo importance sampling. While for weak to moderate diagonal coupling temperature increases inhibit polaron mobility, it is found that off-diagonal coupling induces phonon-assisted transport that dominates at high temperatures. Results on the mean square displacements show that band-like transport features dominate the diagonal coupling cases, and there exists a crossover from band-like to hopping transport with increasing temperature when including off-diagonal coupling. As a proof of concept, our theory provides a unified treatment of coherent and incoherent transport in molecular crystals and is applicable to any temperature.

  20. Strain-rate dependent fatigue behavior of 316LN stainless steel in high-temperature water

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Jibo [CAS Key Laboratory of Nuclear Materials and Safety Assessment, Liaoning Key Laboratory for Safety and Assessment Technique of Nuclear Materials, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Wu, Xinqiang, E-mail: xqwu@imr.ac.cn [CAS Key Laboratory of Nuclear Materials and Safety Assessment, Liaoning Key Laboratory for Safety and Assessment Technique of Nuclear Materials, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Han, En-Hou; Ke, Wei; Wang, Xiang [CAS Key Laboratory of Nuclear Materials and Safety Assessment, Liaoning Key Laboratory for Safety and Assessment Technique of Nuclear Materials, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Sun, Haitao [Nuclear and Radiation Safety Center, SEPA, Beijing 100082 (China)

    2017-06-15

    Low cycle fatigue behavior of forged 316LN stainless steel was investigated in high-temperature water. It was found that the fatigue life of 316LN stainless steel decreased with decreasing strain rate from 0.4 to 0.004 %s{sup −1} in 300 °C water. The stress amplitude increased with decreasing strain rate during fatigue tests, which was a typical characteristic of dynamic strain aging. The fatigue cracks mainly initiated at pits and slip bands. The interactive effect between dynamic strain aging and electrochemical factors on fatigue crack initiation is discussed. - Highlights: •The fatigue lives of 316LN stainless steel decrease with decreasing strain rate. •Fatigue cracks mainly initiated at pits and persistent slip bands. •Dynamic strain aging promoted fatigue cracks initiation in high-temperature water.

  1. Salinity and temperature variations around Peninsula Malaysia coastal waters

    International Nuclear Information System (INIS)

    Abdul Kadir Ishak; Jeremy Andy Anak Dominic; Nazrul Hizam Yusof; Mohd Rafaei Murtadza

    2004-01-01

    Vertical profiles of salinity and temperature were measured at several offshore stations along east and west coast of Peninsula Malaysia coastal waters. The measurements which covered South China Sea and Straits of Malacca were made during sampling cruises for Marine Database Project for Peninsula Malaysia, and during an IAEA regional training course for Marine Pollution Project. The results show that the water temperature is highest at the surface and minimum at bottom, while the salinity is lowest at the surface and highest at the bottom. In Malacca Straits, the highest surface water temperature was 30.6 degree C and the lowest bottom water temperature was 20.4 degree C, recorded at a station located in Andaman Sea. The same station also recorded the highest surface and bottom salinity i.e. 31.3 ppt and 34.4 ppt, respectively. For South China Sea, the maximum surface water temperature was 30.4 degree C and the minimum bottom temperature was 25.9 degree C, while the highest surface salinity was 33.2 ppt and the highest bottom salinity was 34.1 ppt. The water in South China Sea also showed some degrees of stratifications with thermocline zones located between 10-40 m water depths. In Malacca Straits, stronger thermocline develops at higher latitude, while at lower latitude the water is more readily mixed. Beside the spatial variations, the seawater temperature and salinity around Peninsula Malaysia also subjected to temporal variation as seawater. (Author)

  2. Rapid freezing of water under dynamic compression

    Science.gov (United States)

    Myint, Philip C.; Belof, Jonathan L.

    2018-06-01

    Understanding the behavior of materials at extreme pressures is a central issue in fields like aerodynamics, astronomy, and geology, as well as for advancing technological grand challenges such as inertial confinement fusion. Dynamic compression experiments to probe high-pressure states often encounter rapid phase transitions that may cause the materials to behave in unexpected ways, and understanding the kinetics of these phase transitions remains an area of great interest. In this review, we examine experimental and theoretical/computational efforts to study the freezing kinetics of water to a high-pressure solid phase known as ice VII. We first present a detailed analysis of dynamic compression experiments in which water has been observed to freeze on sub-microsecond time scales to ice VII. This is followed by a discussion of the limitations of currently available molecular and continuum simulation methods in modeling these experiments. We then describe how our phase transition kinetics models, which are based on classical nucleation theory, provide a more physics-based framework that overcomes some of these limitations. Finally, we give suggestions on future experimental and modeling work on the liquid–ice VII transition, including an outline of the development of a predictive multiscale model in which molecular and continuum simulations are intimately coupled.

  3. Thermo field dynamics: a quantum field theory at finite temperature

    International Nuclear Information System (INIS)

    Mancini, F.; Marinaro, M.; Matsumoto, H.

    1988-01-01

    A brief review of the theory of thermo field dynamics (TFD) is presented. TFD is introduced and developed by Umezawa and his coworkers at finite temperature. The most significant concept in TFD is that of a thermal vacuum which satisfies some conditions denoted as thermal state conditions. The TFD permits to reformulate theories at finite temperature. There is no need in an additional principle to determine particle distributions at T ≠ 0. Temperature and other macroscopic parameters are introduced in the definition of the vacuum state. All operator formalisms used in quantum field theory at T=0 are preserved, although the field degrees of freedom are doubled. 8 refs

  4. Dynamic modelling of Industrial Heavy Water Plant

    International Nuclear Information System (INIS)

    Teruel, F.E.

    1997-01-01

    The dynamic behavior of the isotopic enrichment unites of the Industrial Heavy Water Plant, located in Arroyito, Neuquen, Argentina, was modeled and simulated in the present work. Dynamic models of the chemical and isotopic interchange processes existent in the plant, were developed. This served as a base to obtain representative models of the different unit and control systems. The developed models were represented in a modular code for each unit. Each simulator consists of approximately one hundred non-linear-first-order differential equations and some other algebraic equation, which are time resolved by the code. The different simulators allow to change a big number of boundary conditions and the control systems set point for each simulation, so that the program become very versatile. The output of the code allows to see the evolution through time of the variables of interest. An interface which facilitates the use of the first enrichment stage simulator was developed. This interface allows an easy access to generate wished events during the simulation and includes the possibility to plot evolution of the variables involved. The obtained results agree with the expected tendencies. The calculated nominal steady state matches by the manufacturer. The different steady states obtained, agree with previous works. The times and tendencies involved in the transients generated by the program, are in good agreement with the experience obtained at the plant. Based in the obtained results, it is concluded that the characteristic times of the plant are determined by the masses involved in the process. Different characteristics in the system dynamic behavior were generated with the different simulators, and were validated by plant personnel. This work allowed to understand the different process involved in the heavy water manufacture, and to develop a very useful tool for the personnel of the plant. (author). 14 refs., figs., tabs. plant. (author). 14 refs., figs., tabs

  5. Low temperature spin wave dynamics in classical Heisenberg chains

    International Nuclear Information System (INIS)

    Heller, P.; Blume, M.

    1977-11-01

    A detailed and quantitative study of the low-temperature spin-wave dynamics was made for the classical Heisenberg-coupled chain using computer simulation. Results for the spin-wave damping rates and the renormalization of the spin-wave frequencies are presented and compared with existing predictions

  6. Temperature dependence of the absorption coefficient of water for midinfrared laser radiation

    NARCIS (Netherlands)

    Jansen, E. D.; van Leeuwen, T. G.; Motamedi, M.; Borst, C.; Welch, A. J.

    1994-01-01

    The dynamics of the water absorption peak around 1.94 microns was examined. This peak is important for the absorption of holmium and thulium laser radiation. To examine the effect of temperature on the absorption coefficient, the transmission of pulsed Ho:YAG, Ho:YAG, Ho:YSGG, and Tm:YAG laser

  7. Tests on dynamic corrosion by water. Influence of the passage of a heat flux on the corrosion kinetics. pH measurement in water at high temperature; Essais de corrosion dynamique par l'eau. Influence du passage d'un flux thermique sur la cinetique de corrosion. Mesure du pH dans l'eau a haute temperature

    Energy Technology Data Exchange (ETDEWEB)

    Coriou, H.; Grall, L.; Hure, J.; Saint-James, R. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires; Berthod [Societe Grenobloise d' Etudes et d' Applications Hydrauliques, 38 (France); Le peintre [Centre National de la Recherche Scientifique (CNRS), 38 - Grenoble (France)

    1958-07-01

    The passage of a heat flux through the surface of a metal placed in a corrosive medium influences the rate of corrosion, these being higher than under adiabatic conditions. The apparatus developed for corrosion tests is described, it is possible to obtain with this equipment: 1) Heat fluxes greater than 200 W/cm{sup 2}, across aluminium canning, which is cooled by water (temperature 50 deg. C), circulating with flow rates of the order of 5 to 6 m/s. 2) Heat fluxes which can go up to 150 W/cm{sup 2}, across canning of zircaloy or stainless steel. The cooling fluid is pressurized water at a temperature around 280 deg. C, the flow-rate of circulation reaching 6 m/s. The results obtained on aluminium canning are studied from the viewpoint of corrosion, paying particular attention to cavitation phenomena which can cause serious damage in certain special circumstances. After developing a glass electrode system capable of supporting high pressures, the authors have investigated materials capable of functioning as a hydrogen electrode and of resisting satisfactorily corrosion by water at 200 deg. C. Various possibilities have been examined: electrodes of special glasses, quartz, metals, with a membrane etc... The results of the various tests and the practical limits of utilisation are given. (author)Fren. [French] Le passage d'un flux thermique a travers la surface d'un metal place dans un milieu corrosif influence les vitesses de corrosion, celles-ci etant plus elevees que dans des conditions adiabatiques. On decrit les appareils mis au point, pour essais de corrosion. Ils permettent d'obtenir: 1) A travers des gaine aluminium des flux thermiques depassant 200 W /cm{sup 2}. Les gaines sont refroidies par l'eau (temperature 50 deg. C), circulant a des vitesses de l'ordre de 5 a 6 m/s. 2) A travers des gaines en zircaloy ou acier inoxydable des flux thermiques pouvant s'elever a 150 W/cm{sup 2}. Le fluide de refroidissement est de l

  8. Tests on dynamic corrosion by water. Influence of the passage of a heat flux on the corrosion kinetics. pH measurement in water at high temperature; Essais de corrosion dynamique par l'eau. Influence du passage d'un flux thermique sur la cinetique de corrosion. Mesure du pH dans l'eau a haute temperature

    Energy Technology Data Exchange (ETDEWEB)

    Coriou, H; Grall, L; Hure, J; Saint-James, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires; Berthod, [Societe Grenobloise d' Etudes et d' Applications Hydrauliques, 38 (France); peintre, Le [Centre National de la Recherche Scientifique (CNRS), 38 - Grenoble (France)

    1958-07-01

    The passage of a heat flux through the surface of a metal placed in a corrosive medium influences the rate of corrosion, these being higher than under adiabatic conditions. The apparatus developed for corrosion tests is described, it is possible to obtain with this equipment: 1) Heat fluxes greater than 200 W/cm{sup 2}, across aluminium canning, which is cooled by water (temperature 50 deg. C), circulating with flow rates of the order of 5 to 6 m/s. 2) Heat fluxes which can go up to 150 W/cm{sup 2}, across canning of zircaloy or stainless steel. The cooling fluid is pressurized water at a temperature around 280 deg. C, the flow-rate of circulation reaching 6 m/s. The results obtained on aluminium canning are studied from the viewpoint of corrosion, paying particular attention to cavitation phenomena which can cause serious damage in certain special circumstances. After developing a glass electrode system capable of supporting high pressures, the authors have investigated materials capable of functioning as a hydrogen electrode and of resisting satisfactorily corrosion by water at 200 deg. C. Various possibilities have been examined: electrodes of special glasses, quartz, metals, with a membrane etc... The results of the various tests and the practical limits of utilisation are given. (author)Fren. [French] Le passage d'un flux thermique a travers la surface d'un metal place dans un milieu corrosif influence les vitesses de corrosion, celles-ci etant plus elevees que dans des conditions adiabatiques. On decrit les appareils mis au point, pour essais de corrosion. Ils permettent d'obtenir: 1) A travers des gaine aluminium des flux thermiques depassant 200 W /cm{sup 2}. Les gaines sont refroidies par l'eau (temperature 50 deg. C), circulant a des vitesses de l'ordre de 5 a 6 m/s. 2) A travers des gaines en zircaloy ou acier inoxydable des flux thermiques pouvant s'elever a 150 W/cm{sup 2}. Le fluide de refroidissement est de l'eau sous pression a une temperature

  9. Finite-temperature dynamics of the Mott insulating Hubbard chain

    Science.gov (United States)

    Nocera, Alberto; Essler, Fabian H. L.; Feiguin, Adrian E.

    2018-01-01

    We study the dynamical response of the half-filled one-dimensional Hubbard model for a range of interaction strengths U and temperatures T by a combination of numerical and analytical techniques. Using time-dependent density matrix renormalization group computations we find that the single-particle spectral function undergoes a crossover to a spin-incoherent Luttinger liquid regime at temperatures T ˜J =4 t2/U for sufficiently large U >4 t . At smaller values of U and elevated temperatures the spectral function is found to exhibit two thermally broadened bands of excitations, reminiscent of what is found in the Hubbard-I approximation. The dynamical density-density response function is shown to exhibit a finite-temperature resonance at low frequencies inside the Mott gap, with a physical origin similar to the Villain mode in gapped quantum spin chains. We complement our numerical computations by developing an analytic strong-coupling approach to the low-temperature dynamics in the spin-incoherent regime.

  10. Dynamics of tissue shrinkage during ablative temperature exposures

    International Nuclear Information System (INIS)

    Rossmann, Christian; Haemmerich, Dieter; Garrett-Mayer, Elizabeth; Rattay, Frank

    2014-01-01

    There is a lack of studies that examine the dynamics of heat-induced shrinkage of organ tissues. Clinical procedures such as radiofrequency ablation, microwave ablation or high-intensity focused ultrasound, use heat to treat diseases such as cancer and cardiac arrhythmia. When heat is applied to tissues, shrinkage occurs due to protein denaturation, dehydration and contraction of collagen at temperatures greater 50 °C. This is particularly relevant for image-guided procedures such as tumor ablation, where pre- and post-treatment images are compared and any changes in dimensions must be considered to avoid misinterpretations of the treatment outcome. We present data from ex vivo, isothermal shrinkage tests in porcine liver tissue, where axial changes in tissue length were recorded during 15 min of heating to temperatures between 60 and 95 °C. A mathematical model was developed to accurately describe the time and temperature-dependent shrinkage behavior. The shrinkage dynamics had the same characteristics independent of temperature; the estimated relative shrinkage, adjusted for time since death, after 15 min heating to temperatures of 60, 65, 75, 85 and 95 °C, was 12.3, 13.8, 16.6, 19.2 and 21.7%, respectively. Our results demonstrate the shrinkage dynamics of organ tissues, and suggest the importance of considering tissue shrinkage for thermal ablative treatments. (paper)

  11. Temperature-insensitive fiber Bragg grating dynamic pressure sensing system.

    Science.gov (United States)

    Guo, Tuan; Zhao, Qida; Zhang, Hao; Zhang, Chunshu; Huang, Guiling; Xue, Lifang; Dong, Xiaoyi

    2006-08-01

    Temperature-insensitive dynamic pressure measurement using a single fiber Bragg grating (FBG) based on reflection spectrum bandwidth modulation and optical power detection is proposed. A specifically designed double-hole cantilever beam is used to provide a pressure-induced axial strain gradient along the sensing FBG and is also used to modulate the reflection bandwidth of the grating. The bandwidth modulation is immune to spatially uniform temperature effects, and the pressure can be unambiguously determined by measuring the reflected optical power, avoiding the complex wavelength interrogation system. The system acquisition time is up to 85 Hz for dynamic pressure measurement, and the thermal fluctuation is kept less than 1.2% full-scale for a temperature range of -10 degrees C to 80 degrees C.

  12. Temperature dependent dynamics of DegP-trimer: A molecular dynamics study

    Directory of Open Access Journals (Sweden)

    Nivedita Rai

    2015-01-01

    Full Text Available DegP is a heat shock protein from high temperature requirement protease A family, which reacts to the environmental stress conditions in an ATP independent way. The objective of the present analysis emerged from the temperature dependent functional diversity of DegP between chaperonic and protease activities at temperatures below and above 28 °C, respectively. DegP is a multimeric protein and the minimal functional unit, DegP-trimer, is of great importance in understanding the DegP pathway. The structural aspects of DegP-trimer with respect to temperature variation have been studied using molecular dynamics simulations (for 100 ns and principal component analysis to highlight the temperature dependent dynamics facilitating its functional diversity. The DegP-trimer revealed a pronounced dynamics at both 280 and 320 K, when compared to the dynamics observed at 300 K. The LA loop is identified as the highly flexible region during dynamics and at extreme temperatures, the residues 46–80 of LA loop express a flip towards right (at 280 and left ( at 320 K with respect to the fixed β-sheet connecting the LA loop of protease for which Phe46 acts as one of the key residues. Such dynamics of LA loop facilitates inter-monomeric interaction with the PDZ1 domain of the neighbouring monomer and explains its active participation when DegP exists as trimer. Hence, the LA loop mediated dynamics of DegP-trimer is expected to provide further insight into the temperature dependent dynamics of DegP towards the understanding of its assembly and functional diversity in the presence of substrate.

  13. Responses of Cloud Type Distributions to the Large-Scale Dynamical Circulation: Water Budget-Related Dynamical Phase Space and Dynamical Regimes

    Science.gov (United States)

    Wong, Sun; Del Genio, Anthony; Wang, Tao; Kahn, Brian; Fetzer, Eric J.; L'Ecuyer, Tristan S.

    2015-01-01

    Goals: Water budget-related dynamical phase space; Connect large-scale dynamical conditions to atmospheric water budget (including precipitation); Connect atmospheric water budget to cloud type distributions.

  14. Construction, calibration, and validation of the RBM10 water temperature model for the Trinity River, northern California

    Science.gov (United States)

    Jones, Edward C.; Perry, Russell W.; Risley, John C.; Som, Nicholas A.; Hetrick, Nicholas J.

    2016-03-31

    We constructed a one-dimensional daily averaged water-temperature model to simulate Trinity River temperatures for 1980–2013. The purpose of this model is to assess effects of water-management actions on water temperature and to provide water temperature inputs for a salmon population dynamics model. Simulated meteorological data, observed streamflow data, and observed water temperatures were used as model inputs to simulate a continuous 34-year time series of historical daily mean water temperature at eight locations along 112.2 river miles from Lewiston Dam near Weaverville, California, downstream to the Klamath River confluence. To demonstrate the utility of the model to inform management actions, we simulated three management alternatives to assess the effects of bypass flow augmentation in a drought year, 1994, and compared those results to the simulated historical baseline, referred to as the “No Action” alternative scenario. Augmentation flows from the Lewiston Dam bypass consist of temperature-controlled releases capable of cooling downstream water temperatures in hot times of the year, which can reduce the probability of disease outbreaks in fish populations. Outputs from the Trinity River water-temperature model were then used as inputs to an existing water-temperature model of the Klamath River to evaluate the effect of augmentation flow releases on water temperatures in the lower Klamath River. 

  15. Nature versus nurture: Predictability in low-temperature Ising dynamics

    Science.gov (United States)

    Ye, J.; Machta, J.; Newman, C. M.; Stein, D. L.

    2013-10-01

    Consider a dynamical many-body system with a random initial state subsequently evolving through stochastic dynamics. What is the relative importance of the initial state (“nature”) versus the realization of the stochastic dynamics (“nurture”) in predicting the final state? We examined this question for the two-dimensional Ising ferromagnet following an initial deep quench from T=∞ to T=0. We performed Monte Carlo studies on the overlap between “identical twins” raised in independent dynamical environments, up to size L=500. Our results suggest an overlap decaying with time as t-θh with θh=0.22±0.02; the same exponent holds for a quench to low but nonzero temperature. This “heritability exponent” may equal the persistence exponent for the two-dimensional Ising ferromagnet, but the two differ more generally.

  16. Effect of the Solvent Temperatures on Dynamics of Serine Protease Proteinase K

    Directory of Open Access Journals (Sweden)

    Peng Sang

    2016-02-01

    Full Text Available To obtain detailed information about the effect of the solvent temperatures on protein dynamics, multiple long molecular dynamics (MD simulations of serine protease proteinase K with the solute and solvent coupled to different temperatures (either 300 or 180 K have been performed. Comparative analyses demonstrate that the internal flexibility and mobility of proteinase K are strongly dependent on the solvent temperatures but weakly on the protein temperatures. The constructed free energy landscapes (FELs at the high solvent temperatures exhibit a more rugged surface, broader spanning range, and higher minimum free energy level than do those at the low solvent temperatures. Comparison between the dynamic hydrogen bond (HB numbers reveals that the high solvent temperatures intensify the competitive HB interactions between water molecules and protein surface atoms, and this in turn exacerbates the competitive HB interactions between protein internal atoms, thus enhancing the conformational flexibility and facilitating the collective motions of the protein. A refined FEL model was proposed to explain the role of the solvent mobility in facilitating the cascade amplification of microscopic motions of atoms and atomic groups into the global collective motions of the protein.

  17. Integrated collector storage solar water heater: Temperature stratification

    International Nuclear Information System (INIS)

    Garnier, C.; Currie, J.; Muneer, T.

    2009-01-01

    An analysis of the temperature stratification inside an Integrated Collector Storage Solar Water Heater (ICS-SWH) was carried out. The system takes the form of a rectangular-shaped box incorporating the solar collector and storage tank into a single unit and was optimised for simulation in Scottish weather conditions. A 3-month experimental study on the ICS-SWH was undertaken in order to provide empirical data for comparison with the computed results. Using a previously developed macro model; a number of improvements were made. The initial macro model was able to generate corresponding water bulk temperature in the collector with a given hourly incident solar radiation, ambient temperature and inlet water temperature and therefore able to predict ICS-SWH performance. The new model was able to compute the bulk water temperature variation in different SWH collectors for a given aspect ratio and the water temperature along the height of the collector (temperature stratification). Computed longitudinal temperature stratification results obtained were found to be in close agreement with the experimental data.

  18. Thermal conductivity of water: Molecular dynamics and generalized hydrodynamics results

    Science.gov (United States)

    Bertolini, Davide; Tani, Alessandro

    1997-10-01

    Equilibrium molecular dynamics simulations have been carried out in the microcanonical ensemble at 300 and 255 K on the extended simple point charge (SPC/E) model of water [Berendsen et al., J. Phys. Chem. 91, 6269 (1987)]. In addition to a number of static and dynamic properties, thermal conductivity λ has been calculated via Green-Kubo integration of the heat current time correlation functions (CF's) in the atomic and molecular formalism, at wave number k=0. The calculated values (0.67+/-0.04 W/mK at 300 K and 0.52+/-0.03 W/mK at 255 K) are in good agreement with the experimental data (0.61 W/mK at 300 K and 0.49 W/mK at 255 K). A negative long-time tail of the heat current CF, more apparent at 255 K, is responsible for the anomalous decrease of λ with temperature. An analysis of the dynamical modes contributing to λ has shown that its value is due to two low-frequency exponential-like modes, a faster collisional mode, with positive contribution, and a slower one, which determines the negative long-time tail. A comparison of the molecular and atomic spectra of the heat current CF has suggested that higher-frequency modes should not contribute to λ in this temperature range. Generalized thermal diffusivity DT(k) decreases as a function of k, after an initial minor increase at k=kmin. The k dependence of the generalized thermodynamic properties has been calculated in the atomic and molecular formalisms. The observed differences have been traced back to intramolecular or intermolecular rotational effects and related to the partial structure functions. Finally, from the results we calculated it appears that the SPC/E model gives results in better agreement with experimental data than the transferable intermolecular potential with four points TIP4P water model [Jorgensen et al., J. Chem. Phys. 79, 926 (1983)], with a larger improvement for, e.g., diffusion, viscosities, and dielectric properties and a smaller one for thermal conductivity. The SPC/E model shares

  19. Dynamic combinatorial chemistry with diselenides and disulfides in water

    DEFF Research Database (Denmark)

    Rasmussen, Brian; Sørensen, Anne; Gotfredsen, Henrik

    2014-01-01

    Diselenide exchange is introduced as a reversible reaction in dynamic combinatorial chemistry in water. At neutral pH, diselenides are found to mix with disulfides and form dynamic combinatorial libraries of diselenides, disulfides, and selenenylsulfides. This journal is......Diselenide exchange is introduced as a reversible reaction in dynamic combinatorial chemistry in water. At neutral pH, diselenides are found to mix with disulfides and form dynamic combinatorial libraries of diselenides, disulfides, and selenenylsulfides. This journal is...

  20. Estimating Arrhenius parameters using temperature programmed molecular dynamics

    International Nuclear Information System (INIS)

    Imandi, Venkataramana; Chatterjee, Abhijit

    2016-01-01

    Kinetic rates at different temperatures and the associated Arrhenius parameters, whenever Arrhenius law is obeyed, are efficiently estimated by applying maximum likelihood analysis to waiting times collected using the temperature programmed molecular dynamics method. When transitions involving many activated pathways are available in the dataset, their rates may be calculated using the same collection of waiting times. Arrhenius behaviour is ascertained by comparing rates at the sampled temperatures with ones from the Arrhenius expression. Three prototype systems with corrugated energy landscapes, namely, solvated alanine dipeptide, diffusion at the metal-solvent interphase, and lithium diffusion in silicon, are studied to highlight various aspects of the method. The method becomes particularly appealing when the Arrhenius parameters can be used to find rates at low temperatures where transitions are rare. Systematic coarse-graining of states can further extend the time scales accessible to the method. Good estimates for the rate parameters are obtained with 500-1000 waiting times.

  1. Estimating Arrhenius parameters using temperature programmed molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Imandi, Venkataramana; Chatterjee, Abhijit, E-mail: abhijit@che.iitb.ac.in [Department of Chemical Engineering, Indian Institute of Technology Bombay, Mumbai 400076 (India)

    2016-07-21

    Kinetic rates at different temperatures and the associated Arrhenius parameters, whenever Arrhenius law is obeyed, are efficiently estimated by applying maximum likelihood analysis to waiting times collected using the temperature programmed molecular dynamics method. When transitions involving many activated pathways are available in the dataset, their rates may be calculated using the same collection of waiting times. Arrhenius behaviour is ascertained by comparing rates at the sampled temperatures with ones from the Arrhenius expression. Three prototype systems with corrugated energy landscapes, namely, solvated alanine dipeptide, diffusion at the metal-solvent interphase, and lithium diffusion in silicon, are studied to highlight various aspects of the method. The method becomes particularly appealing when the Arrhenius parameters can be used to find rates at low temperatures where transitions are rare. Systematic coarse-graining of states can further extend the time scales accessible to the method. Good estimates for the rate parameters are obtained with 500-1000 waiting times.

  2. NOAA NDBC SOS, 2006-present, sea_water_temperature

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The NOAA NDBC SOS server is part of the IOOS DIF SOS Project. The stations in this dataset have sea_water_temperature data. Because of the nature of SOS requests,...

  3. NOAA NOS SOS, EXPERIMENTAL, 1853-present, Water Temperature

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The NOAA NOS SOS server is part of the IOOS DIF SOS Project. The stations in this dataset have water temperature data. *These services are for testing and evaluation...

  4. NOS CO-OPS Meteorological Data, Water Temperature, 6-Minute

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This dataset has Water Temperature data from NOAA NOS Center for Operational Oceanographic Products and Services (CO-OPS). WARNING: These preliminary data have not...

  5. A molecular dynamics approach for predicting the glass transition temperature and plasticization effect in amorphous pharmaceuticals.

    Science.gov (United States)

    Gupta, Jasmine; Nunes, Cletus; Jonnalagadda, Sriramakamal

    2013-11-04

    The objectives of this study were as follows: (i) To develop an in silico technique, based on molecular dynamics (MD) simulations, to predict glass transition temperatures (Tg) of amorphous pharmaceuticals. (ii) To computationally study the effect of plasticizer on Tg. (iii) To investigate the intermolecular interactions using radial distribution function (RDF). Amorphous sucrose and water were selected as the model compound and plasticizer, respectively. MD simulations were performed using COMPASS force field and isothermal-isobaric ensembles. The specific volumes of amorphous cells were computed in the temperature range of 440-265 K. The characteristic "kink" observed in volume-temperature curves, in conjunction with regression analysis, defined the Tg. The MD computed Tg values were 367 K, 352 K and 343 K for amorphous sucrose containing 0%, 3% and 5% w/w water, respectively. The MD technique thus effectively simulated the plasticization effect of water; and the corresponding Tg values were in reasonable agreement with theoretical models and literature reports. The RDF measurements revealed strong hydrogen bond interactions between sucrose hydroxyl oxygens and water oxygen. Steric effects led to weak interactions between sucrose acetal oxygens and water oxygen. MD is thus a powerful predictive tool for probing temperature and water effects on the stability of amorphous systems during drug development.

  6. Water dynamics clue to key residues in protein folding

    International Nuclear Information System (INIS)

    Gao, Meng; Zhu, Huaiqiu; Yao, Xin-Qiu; She, Zhen-Su

    2010-01-01

    A computational method independent of experimental protein structure information is proposed to recognize key residues in protein folding, from the study of hydration water dynamics. Based on all-atom molecular dynamics simulation, two key residues are recognized with distinct water dynamical behavior in a folding process of the Trp-cage protein. The identified key residues are shown to play an essential role in both 3D structure and hydrophobic-induced collapse. With observations on hydration water dynamics around key residues, a dynamical pathway of folding can be interpreted.

  7. Advances in high temperature water chemistry and future issues

    International Nuclear Information System (INIS)

    Millett, P.J.

    2005-01-01

    This paper traces the development of advances in high temperature water chemistry with emphasis in the field of nuclear power. Many of the water chemistry technologies used in plants throughout the world today would not have been possible without the underlying scientific advances made in this field. In recent years, optimization of water chemistry has been accomplished by the availability of high temperature water chemistry codes such as MULTEQ. These tools have made the science of high temperature chemistry readily accessible for engineering purposes. The paper closes with a discussion of what additional scientific data and insights must be pursued in order to support the further development of water chemistry technologies for the nuclear industry. (orig.)

  8. Modeling Air Temperature/Water Temperature Relations Along a Small Mountain Stream Under Increasing Urban Influence

    Science.gov (United States)

    Fedders, E. R.; Anderson, W. P., Jr.; Hengst, A. M.; Gu, C.

    2017-12-01

    Boone Creek is a headwater stream of low to moderate gradient located in Boone, North Carolina, USA. Total impervious surface coverage in the 5.2 km2 catchment drained by the 1.9 km study reach increases from 13.4% in the upstream half of the reach to 24.3% in the downstream half. Other markers of urbanization, including culverting, lack of riparian shade vegetation, and bank armoring also increase downstream. Previous studies have shown the stream to be prone to temperature surges on short timescales (minutes to hours) caused by summer runoff from the urban hardscaping. This study investigates the effects of urbanization on the stream's thermal regime at daily to yearly timescales. To do this, we developed an analytical model of daily average stream temperatures based on daily average air temperatures. We utilized a two-part model comprising annual and biannual components and a daily component consisting of a 3rd-order Markov process in order to fit the thermal dynamics of our small, gaining stream. Optimizing this model at each of our study sites in each studied year (78 total site-years of data) yielded annual thermal exchange coefficients (K) for each site. These K values quantify the strength of the relationship between stream and air temperature, or inverse thermal stability. In a uniform, pristine catchment environment, K values are expected to decrease downstream as the stream gains discharge volume and, therefore, thermal inertia. Interannual average K values for our study reach, however, show an overall increase from 0.112 furthest upstream to 0.149 furthest downstream, despite a near doubling of stream discharge between these monitoring points. K values increase only slightly in the upstream, less urban, half of the reach. A line of best fit through these points on a plot of reach distance versus K value has a slope of 2E-6. But the K values of downstream, more urbanized sites increase at a rate of 2E-5 per meter of reach distance, an order of magnitude

  9. The dynamics of water in hydrated white bread investigated using quasielastic neutron scattering

    International Nuclear Information System (INIS)

    Sjoestroem, J; Kargl, F; Fernandez-Alonso, F; Swenson, J

    2007-01-01

    The dynamics of water in fresh and in rehydrated white bread is studied using quasielastic neutron scattering (QENS). A diffusion constant for water in fresh bread, without temperature gradients and with the use of a non-destructive technique, is presented here for the first time. The self-diffusion constant for fresh bread is estimated to be D s = 3.8 x 10 -10 m 2 s -1 and the result agrees well with previous findings for similar systems. It is also suggested that water exhibits a faster dynamics than previously reported in the literature using equilibration of a hydration-level gradient monitored by vibrational spectroscopy. The temperature dependence of the dynamics of low hydration bread is also investigated for T = 280-350 K. The average relaxation time at constant momentum transfer (Q) shows an Arrhenius behavior in the temperature range investigated

  10. Spin dynamics in bulk CdTe at room temperature

    International Nuclear Information System (INIS)

    Nahalkova, P.; Nemec, P.; Sprinzl, D.; Belas, E.; Horodysky, P.; Franc, J.; Hlidek, P.; Maly, P.

    2006-01-01

    In this paper, we report on the room temperature dynamics of spin-polarized carriers in undoped bulk CdTe. Platelets of CdTe with different concentration of preparation-induced dislocations were prepared by combining the mechanical polishing and chemical etching. Using the polarization-resolved pump-probe experiment in transmission geometry, we have observed a systematic decrease of both the signal polarization and the electron spin dephasing time (from 52 to 36 ps) with the increased concentration of defects. We have suggested that the Elliot-Yafet mechanism might be the dominant spin dephasing mechanism in platelets of CdTe at room temperature

  11. Temperature-dependent luminescence dynamics in ZnO nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Priller, H. [Institut fuer Angewandte Physik, Universitaet Karlsruhe and Center for Functional Nanostructures (CFN), Wolfgang-Gaede-Str. 1, D-76131 Karlsruhe (Germany)]. E-mail: heiko.priller@physik.uni-karlsruhe.de; Hauschild, R. [Institut fuer Angewandte Physik, Universitaet Karlsruhe and Center for Functional Nanostructures (CFN), Wolfgang-Gaede-Str. 1, D-76131 Karlsruhe (Germany); Zeller, J. [Institut fuer Angewandte Physik, Universitaet Karlsruhe and Center for Functional Nanostructures (CFN), Wolfgang-Gaede-Str. 1, D-76131 Karlsruhe (Germany); Klingshirn, C. [Institut fuer Angewandte Physik, Universitaet Karlsruhe and Center for Functional Nanostructures (CFN), Wolfgang-Gaede-Str. 1, D-76131 Karlsruhe (Germany); Kalt, H. [Institut fuer Angewandte Physik, Universitaet Karlsruhe and Center for Functional Nanostructures (CFN), Wolfgang-Gaede-Str. 1, D-76131 Karlsruhe (Germany); Kling, R. [Abteilung Halbleiterphysik, Universitaet Ulm, Albert-Einstein Allee 45, 89081 Ulm (Germany); Reuss, F. [Abteilung Halbleiterphysik, Universitaet Ulm, Albert-Einstein Allee 45, 89081 Ulm (Germany); Kirchner, Ch. [Abteilung Halbleiterphysik, Universitaet Ulm, Albert-Einstein Allee 45, 89081 Ulm (Germany); Waag, A. [Institut fuer Halbleitertechnik, TU Braunschweig, Hans-Sommer-Str. 66, D-38106 Braunschweig (Germany)

    2005-04-15

    We report on an experimental study of the temporal photoluminescence dynamics of high-quality ZnO nanopillars from 10 K to room temperature. We find that defect states play an important role in the time evolution of the photoluminescence signal. At low excitation intensities capture into defects dominates the time dependence of the PL, at higher intensities they are saturated and the intrinsic excitation decay is observed. We separate the intrinsic exciton decay from the fast nonlinear M-band with the method of decay associated spectra and obtain the temperature dependence of the intrinsic exciton decay. High excitation measurements show a reduced exciton-exciton scattering in these thin nanorods.

  12. Frozen Dynamics and Insulation of Water at the Lipid Interface

    NARCIS (Netherlands)

    Bakulin, A.A.; Cringus, D.; Pshenichnikov, M.S.; Wiersma, D.A.; Corkum, P; DeSilvestri, S; Nelson, KA; Riedle, E

    2009-01-01

    2D IR correlation spectroscopy reveals extremely slow dynamics and splitting of the OH-stretching mode of water in anionic micelles. Water at the lipid interface behaves as if the molecules were isolated in a "frozen" environment.

  13. Optimizing withdrawal from drinking water reservoirs to reduce downstream temperature pollution and reservoir hypoxia.

    Science.gov (United States)

    Weber, M; Rinke, K; Hipsey, M R; Boehrer, B

    2017-07-15

    Sustainable management of drinking water reservoirs requires balancing the demands of water supply whilst minimizing environmental impact. This study numerically simulates the effect of an improved withdrawal scheme designed to alleviate the temperature pollution downstream of a reservoir. The aim was to identify an optimal withdrawal strategy such that water of a desirable discharge temperature can be supplied downstream without leading to unacceptably low oxygen concentrations within the reservoir. First, we calibrated a one-dimensional numerical model for hydrodynamics and oxygen dynamics (GLM-AED2), verifying that the model reproduced water temperatures and hypolimnetic dissolved oxygen concentrations accurately over a 5 year period. Second, the model was extended to include an adaptive withdrawal functionality, allowing for a prescribed withdrawal temperature to be found, with the potential constraint of hypolimnetic oxygen concentration. Scenario simulations on epi-/metalimnetic withdrawal demonstrate that the model is able to autonomously determine the best withdrawal height depending on the thermal structure and the hypolimnetic oxygen concentration thereby optimizing the ability to supply a desirable discharge temperature to the downstream river during summer. This new withdrawal strategy also increased the hypolimnetic raw water volume to be used for drinking water supply, but reduced the dissolved oxygen concentrations in the deep and cold water layers (hypolimnion). Implications of the results for reservoir management are discussed and the numerical model is provided for operators as a simple and efficient tool for optimizing the withdrawal strategy within different reservoir contexts. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Temperature stratification in a hot water tank with circulation pipe

    DEFF Research Database (Denmark)

    Andersen, Elsa

    1998-01-01

    The aim of the project is to investigate the change in temperature stratification due to the operation of a circulation pipe. Further, putting forward rules for design of pipe inlet in order not to disturb the temperature stratification in the hot water tank. A validated computer model based on t...

  15. Possible effects of regulating hydroponic water temperature on plant ...

    African Journals Online (AJOL)

    Water temperature can affect many physiological processes during plant growth and development. Temperatures below or above optimum levels may influence plant metabolic activities positively or negatively. This may include accumulation of different metabolites such as phenolic compounds, reactive oxygen species ...

  16. Deterministic constant-temperature dynamics for dissipative quantum systems

    International Nuclear Information System (INIS)

    Sergi, Alessandro

    2007-01-01

    A novel method is introduced in order to treat the dissipative dynamics of quantum systems interacting with a bath of classical degrees of freedom. The method is based upon an extension of the Nose-Hoover chain (constant temperature) dynamics to quantum-classical systems. Both adiabatic and nonadiabatic numerical calculations on the relaxation dynamics of the spin-boson model show that the quantum-classical Nose-Hoover chain dynamics represents the thermal noise of the bath in an accurate and simple way. Numerical comparisons, both with the constant-energy calculation and with the quantum-classical Brownian motion treatment of the bath, show that the quantum-classical Nose-Hoover chain dynamics can be used to introduce dissipation in the evolution of a quantum subsystem even with just one degree of freedom for the bath. The algorithm can be computationally advantageous in modelling, within computer simulation, the dynamics of a quantum subsystem interacting with complex molecular environments. (fast track communication)

  17. High Temperature Dynamic Hohlraums on the Pulsed Power Driver Z

    International Nuclear Information System (INIS)

    Armijo, J.; Chandler, G.A.; Cooper, G.; Derzon, M.S.; Fehl, D.; Gilliland, T.; Hawn, R.; Hebron, D.; Hurst, M.; Jobe, D.; Lash, J.; Lazier, S.; Leeper, R.; McGurn, J.; McKenney, J.; Mock, R.; Nash, T.J.; Nielsen, D.; Ruiz, C.; Ryan, P.; Seaman, J.F.; Torres, J.

    1999-01-01

    In the concept of the dynamic hohlraum an imploding z-pinch is optically thick to its own radiation. Radiation may be trapped inside the pinch to give a radiation temperature inside the pinch greater than that outside the pinch. The radiation is typically produced by colliding an outer Z-pinch liner onto an inner liner. The collision generates a strongly radiating shock, and the radiation is trapped by the outer liner. As the implosion continues after the collision the radiation temperature may continue to increase due to ongoing PdV (pressure times change in volume) work done by the implosion. In principal the radiation temperature may increase to the point at which the outer liner burns through, becomes optically thin, and no longer traps the radiation. One application of the dynamic hohlraum is to drive an ICF (inertial confinement fusion) pellet with the trapped radiation field. Members of the dynamic hohlraum team at Sandia National Labs have used the pulsed power driver Z (20 LMA, 100 ns) to create a dynamic hohlraum with temperature linearly ramping from 100 to 180 eV over 5 ns. On this shot zp214 a nested tungsten wire array of 4 and 2 cm diameters with masses of 2 and 1 mg imploded onto a 2.5 mg plastic annulus at 5 mm diameter. The current return can on this shot was slotted. It is likely the radiation temperature may be increased to over 200 CV by stabilizing the pinch with a solid current return can. A current return can with 9 slots imprints 9 filaments onto the imploding pinch. This degrades the optical trapping and the quality of the liner collision. A 1.6 mm diameter capsule situated inside this dynamic hohlraum of zp214 would see 15 kJ of radiation impinging on its surface before the pinch itself collapses to a 1.6 mm diameter. Dynamic hohlraum shots including pellets are scheduled to take place on Z in September of 1998

  18. An observational study on the temperature rising effects in water warming canal and water warming pond

    Energy Technology Data Exchange (ETDEWEB)

    Hong, J. B.; Hong, S. B. [Rural Development Cooperation, Seoul (Korea, Republic of)

    1990-09-15

    The power water flowed out from the multipurpose darn influences the ecosystem approximately because of the low water temperature. An appropriate counter measure to the rising water temperature is needed for growing crops especially when the temperature is below 18°C in the source of the irrigation water This observational study is practiced in Yong-Doo water warming canal and pond in the down stream of Choong-Ju multipurpose dam and is practiced for analyse and compare the rising effects in actural water temperature by actual measurement with the rising effects of planned water temperatuer by the basic theoritical method and for the help to present the direction in plan establishment through investigate the results afterwards. The results are as follows. 1. The degree of the rise of the water temperature can be decided by θ{sub x} = θ{sub 0} + K (L/(v * h)) * (T - θ{sub 0}) Then, K values of a factor representing the characteristics of the water warming canal were 0.00002043 for the type I. and 0.0000173 for the type II. respectively. 2. A variation of water temperature which produced by the difference effective temperature and water temperature in the water warming canal was θ{sub x1} = 16.5 + 15.9 (1-e{sup -0.00018x}), θ{sub x2} = 18.8 + 8.4(1-e{sup -0.000298x}) for the type I. and θ{sub x} = 19.6 + 12.8 (1-e{sup -0.00041x}) for the type II. 3. It was shown that the effects of the rise of water temperature for the type I. water warming canal were greater than that of type II. as a resultes of broadening the surface of the canal compared with the depth of water, coloring the surface of water canal and installing the resistance block. 4. In case of the type I. water warming canal, the equation between the air temperature and the degree of the rise of water temprature could be made; Y = 0.4134X + 7.728 In addition, in case of the type II. water warming canal, the correlation was very low. 5. A monthly variation of the water temperature in the water warming

  19. Collective Dynamics of Intracellular Water in Living Cells

    International Nuclear Information System (INIS)

    Orecchini, A; Sebastiani, F; Paciaroni, A; Petrillo, C; Sacchetti, F; Jasnin, M; Francesco, A De; Zaccai, G; Moulin, M; Haertlein, M

    2012-01-01

    Water dynamics plays a fundamental role for the fulfillment of biological functions in living organisms. Decades of hydrated protein powder studies have revealed the peculiar dynamical properties of hydration water with respect to pure water, due to close coupling interactions with the macromolecule. In such a framework, we have studied coherent collective dynamics in protein and DNA hydration water. State-of-the-art neutron instrumentation has allowed us to observe the propagation of coherent density fluctuations within the hydration shell of the biomolecules. The corresponding dispersion curves resulted to be only slightly affected by the coupling with the macromolecules. Nevertheless, the effects of the interaction appeared as a marked increase of the mode damping factors, which suggested a destructuring of the water hydrogen-bond network. Such results were interpreted as the signature of a 'glassy' dynamical character of macromolecule hydration water, in agreement with indications from measurements of the density of vibrational states. Extending the investigations to living organisms at physiological conditions, we present here an in-vivo study of collective dynamics of intracellular water in Escherichia coli cells. The cells and water were fully deuterated to minimise the incoherent neutron scattering background. The water dynamics observed in the living cells is discussed in terms of the dynamics of pure bulk water and that of hydration water measured in powder samples.

  20. The Model of Temperature Dynamics of Pulsed Fuel Assembly

    CERN Document Server

    Bondarchenko, E A; Popov, A K

    2002-01-01

    Heat exchange process differential equations are considered for a subcritical fuel assembly with an injector. The equations are obtained by means of the use of the Hermit polynomial. The model is created for modelling of temperature transitional processes. The parameters and dynamics are estimated for hypothetical fuel assembly consisting of real mountings: the powerful proton accelerator and the reactor IBR-2 core at its subcritica l state.

  1. Applying dynamic mold temperature control to cosmetic package design

    Directory of Open Access Journals (Sweden)

    Hsiao Shih-Wen

    2017-01-01

    Full Text Available Owing to the fashion trend and the market needs, this study developed the eco-cushion compact. Through the product design and the advanced process technology, many issues have improved, for instance, the inconvenience of transportation, the lack of multiuse capability, the increase of costs, and the low yield rate. The eco-cushion compact developed in this study was high quality, low cost, and meets the requirements of the eco market. The study aimed at developing a reusable container. Dynamic mold temperature control was introduced in the injection modeling process. The innovation in the product was its multi-functional formula invention, eco-product design, one-piece powder case design, and multifunctional design in the big powder case, mold flow and development of dynamic mold temperature control. Finally, through 3D drawing and modeling, and computer assistance for mold flow and verification to develop and produce models. During the manufacturing process, in order to solve the problems of tightness and warping, development and manufacture of dynamic mold temperature control were introduced. This decreased the injection cycle and residual stress, and deformation of the products has reduced to less than 0.2 mm, and the air tightness increased. In addition, air leakage was less than 2% and the injection cycle decreased to at least 10%. The results of the study can be extended and applied on the future design on cosmetic package and an alternative can be proposed to solve the problems of air tightness and warping. In this study, dynamic mold temperature control is considered as a design with high price-performance ratio, which can be adopted on industrial application for practical benefit and improvement.

  2. Global River Discharge and Water Temperature under Climate Change

    NARCIS (Netherlands)

    Vliet, van M.T.H.; Franssen, W.H.P.; Yearsley, J.R.; Ludwig, F.; Haddeland, I.; Lettenmaier, D.P.; Kabat, P.

    2013-01-01

    Climate change will affect hydrologic and thermal regimes of rivers, having a direct impact on freshwater ecosystems and human water use. Here we assess the impact of climate change on global river flows and river water temperatures, and identify regions that might become more critical for

  3. Urbanization Changes the Temporal Dynamics of Nutrients and Water Chemistry

    Science.gov (United States)

    Steele, M.; Badgley, B.

    2017-12-01

    Recent studies find that urban development alters the seasonal dynamics of nutrient concentrations, where the highest concentrations of nitrogen occurred during the winter in urban watersheds, rather than the summer. However, the effects of urbanization on the seasonal concentrations of other nutrients and chemical components is unknown. Therefore, to determine how urbanization changes the seasonal dynamics, once a week we measured concentrations of dissolved organic carbon (DOC), nutrients (NO3, DON, TN, PO4), base cations (Ca, Mg, Na, K), anions (F, Cl, SO4), pH, sediment, temperature, conductivity, and dissolved oxygen (DO) of nine urban, agricultural, and minimally developed watersheds in southwest Virginia, USA. We found that urbanization disrupted the seasonal dynamics of all metrics, except DON, PO4, Ca, sediment, and DO, where some shifted to high concentrations during the winter (Cl, conductivity), highs during late winter or spring (DOC, Na), a season low (TN, SO4, NO3) or high (NH4) during the summer, or remained more constant throughout the year compared to the reference watersheds (Mg, K, pH). The complex changes in seasonal dynamics coincide with a decoupling of common correlations between constituents; for example, DO and NO3 are negatively correlated in reference watersheds (NO3 increases, DO decreases), but positively correlated in urban watersheds. These results suggest that as watersheds become more intensely developed, the influence of natural drivers like temperature and vegetation become steadily overcome by the influence of urban drivers like deicing salts and wastewater leakage, which exert increasing control of seasonal water quality and aquatic habitat.

  4. Temperature dependent dynamic susceptibility calculations for itinerant ferromagnets

    Energy Technology Data Exchange (ETDEWEB)

    Cooke, J. F.

    1980-10-01

    Inelastic neutron scattering experiments have revealed a variety of interesting and unusual phenomena associated with the spin dynamics of the 3-d transition metal ferromagnets nickel and iron. An extensive series of calculations based on the itinerant electron formalism has demonstrated that the itinerant model does provide an excellent quantitative as well as qualitative description of the measured spin dynamics of both nickel and iron at low temperatures. Recent angular photo emission experiments have indicated that there is a rather strong temperature dependence of the electronic spin-splitting which, from relatively crude arguments, appears to be inconsistent with neutron scattering results. In order to investigate this point and also the origin of spin-wave renormalization, a series of calculations of the dynamic susceptibility of nickel and iron has been undertaken. The results of these calculations indicate that a discrepancy exists between the interpretations of neutron and photoemission experimental results regarding the temperature dependence of the spin-splitting of the electronic energy bands.

  5. Neutron spin echo measurements of monolayer and capillary condensed water in MCM-41 at low temperatures

    International Nuclear Information System (INIS)

    Yoshida, K; Yamaguchi, T; Kittaka, S; Bellissent-Funel, M-C; Fouquet, P

    2012-01-01

    Neutron spin echo measurements of monolayer and capillary condensed heavy water (D 2 O) confined in MCM-41 C10 (pore diameter 2.10 nm) were performed in a temperature range of 190-298 K. The intermediate scattering functions were analyzed by the Kohlrausch-Williams-Watts stretched exponential function. The relaxation times of confined D 2 O in the capillary condensed state follow remarkably well the Vogel-Fulcher-Tammann equation between 298 and 220 K, whereas below 220 K they show an Arrhenius type behavior. That is, the fragile-to-strong (FTS) dynamic crossover occurs, which has never been seen in experiments on bulk water. On the other hand, for monolayer D 2 O, the FTS dynamic crossover was not observed in the temperature range measured. The FTS dynamic crossover observed in capillary condensed water would take place in the central region of the pore, not near the pore surface. Because the tetrahedral-like water structure in the central region of the pore is more preserved than that near the pore surface, the FTS dynamic crossover would be concerned with the tetrahedral-like water structure. (paper)

  6. Influence of fine water droplets to temperature and humidity

    Science.gov (United States)

    Hafidzal, M. H. M.; Hamzah, A.; Manaf, M. Z. A.; Saadun, M. N. A.; Zakaria, M. S.; Roslizar, A.; Jumaidin, R.

    2015-05-01

    Excessively dry air can cause dry skin, dry eyes and exacerbation of medical conditions. Therefore, many researches have been done in order to increase humidity in our environment. One of the ways is by using water droplets. Nowadays, it is well known in market stand fan equipped with water mister in order to increase the humidity of certain area. In this study, the same concept is applied to the ceiling fan. This study uses a model that combines a humidifier which functions as cooler, ceiling fan and scaled down model of house. The objective of this study is to analyze the influence of ceiling fan humidifier to the temperature and humidity in a house. The mechanism of this small model uses batteries as the power source, connected to the fan and the humidifier. The small water tank's function is to store and supply water to the humidifier. The humidifier is used to cool the room by changing water phase to fine water droplets. Fine water droplets are created from mechanism of the humidifier, which is by increasing the kinetic energy of water molecule using high frequency vibration that overcome the holding force between water molecules. Thus, the molecule of water will change to state of gas or mist. The fan is used to spread out the mist of water to surrounding of the room in order to enhance the humidity. Thermocouple and humidity meter are used to measure temperature and humidity in some period of times. The result shows that humidity increases and temperature decreases with time. This application of water droplet can be applied in the vehicles and engine in order to decrease the temperature.

  7. Dynamics of ice nucleation on water repellent surfaces.

    Science.gov (United States)

    Alizadeh, Azar; Yamada, Masako; Li, Ri; Shang, Wen; Otta, Shourya; Zhong, Sheng; Ge, Liehui; Dhinojwala, Ali; Conway, Ken R; Bahadur, Vaibhav; Vinciquerra, A Joseph; Stephens, Brian; Blohm, Margaret L

    2012-02-14

    Prevention of ice accretion and adhesion on surfaces is relevant to many applications, leading to improved operation safety, increased energy efficiency, and cost reduction. Development of passive nonicing coatings is highly desirable, since current antiicing strategies are energy and cost intensive. Superhydrophobicity has been proposed as a lead passive nonicing strategy, yet the exact mechanism of delayed icing on these surfaces is not clearly understood. In this work, we present an in-depth analysis of ice formation dynamics upon water droplet impact on surfaces with different wettabilities. We experimentally demonstrate that ice nucleation under low-humidity conditions can be delayed through control of surface chemistry and texture. Combining infrared (IR) thermometry and high-speed photography, we observe that the reduction of water-surface contact area on superhydrophobic surfaces plays a dual role in delaying nucleation: first by reducing heat transfer and second by reducing the probability of heterogeneous nucleation at the water-substrate interface. This work also includes an analysis (based on classical nucleation theory) to estimate various homogeneous and heterogeneous nucleation rates in icing situations. The key finding is that ice nucleation delay on superhydrophobic surfaces is more prominent at moderate degrees of supercooling, while closer to the homogeneous nucleation temperature, bulk and air-water interface nucleation effects become equally important. The study presented here offers a comprehensive perspective on the efficacy of textured surfaces for nonicing applications.

  8. Historical Change of Equilibrium Water Temperature in Japan

    Science.gov (United States)

    Miyamoto, H.

    2015-12-01

    Changes in freshwater ecosystems due to a climate change have been great concern for sustainable river basin management both for water resources utilization and ecological conservation. However, their impact seems to be difficult to evaluate because of wide variety of basin characteristics along a river network both in nature and social environment. This presentation uses equilibrium water temperature as a simple criterion index for evaluating the long-term changes of stream thermal environment due to the historical climate change in Japan. It examines, at first, the relationship between the equilibrium water temperature and the stream temperature observed for 7 years at a lower reach in the Ibo River, Japan. It analyzes, then, the seasonal and regional trends of the equilibrium water temperature change for the last 50 years at 133 meteorological station sites throughout Japan, discussing their rising or falling characteristics. The correlation analysis at the local reach of the Ibo River shows that the equilibrium water temperature has similar trend of change as the stream temperature. However, its value tends to be higher than the stream temperature in summer, while lower in winter. The onset of the higher equilibrium water temperature fluctuates annually from mid February to early April. This onset fluctuation at each spring could be influenced by the different amount of snow at the antecedent winter. The rising or falling trends of the equilibrium water temperature are analyzed both annually and seasonally through the regression analysis of the 133 sites in Japan. Consequently, the trends of the temperature change could be categorized by 12 patterns. As for the seasonal analysis, the results shows that there are many sites indicating the falling trend in spring and summer, and rising trends in autumn and winter. In particular, winter has the strong rising tendency throughout Japan. As for the regional analysis, the result illustrates the precise rationality; e

  9. Molecular Dynamics of Water in Wood Studied by Fast Field Cycling Nuclear Magnetic Resonance Relaxometry

    Directory of Open Access Journals (Sweden)

    Xinyu Li

    2016-01-01

    Full Text Available Water plays a very important role in wood and wood products. The molecular motion of water in wood is susceptible to thermal activation. Thermal energy makes water molecules more active and weakens the force between water and wood; therefore, the water molecules dynamic properties are greatly influenced. Molecular dynamics study is important for wood drying; this paper therefore focuses on water molecular dynamics in wood through fast field cycling nuclear magnetic resonance relaxometry techniques. The results show that the spin-lattice relaxation rate decreases with the Larmor frequency. Nuclear magnetic resonance dispersion profiles at different temperatures could separate the relaxation contribution of water in bigger pores and smaller pores. The T1 distribution from wide to narrow at 10 MHz Larmor frequency reflects the shrinkage of pore size with the higher temperature. The dependence of spin-lattice relaxation rate on correlation time for water molecular motion based on BPP (proposed by Bloembergen, Purcell, and Pound theory shows that water correlation time increases with higher temperature, and its activation energy, calculated using the Arrhenius transformation equation, is 9.06±0.53 kJ/mol.

  10. Water Recycling removal using temperature-sensitive hydronen

    Energy Technology Data Exchange (ETDEWEB)

    Rana B. Gupta

    2002-10-30

    The overall objective of this project was to study the proposed Water Recycling/Removal Using Temperature-Sensitive Hydrogels. The main element of this technology is the design of a suitable hydrogel that can perform needed water separation for pulp and paper industry. The specific topics studied are to answer following questions: (a) Can water be removed using hydrogel from large molecules such as lignin? (b) Can the rate of separation be made faster? (c) What are the molecular interactions with hydrogel surface? (d) Can a hydrogel be designed for a high ionic strength and high temperature? Summary of the specific results are given.

  11. Measurements of hot water service consumptions: temperature influence

    Energy Technology Data Exchange (ETDEWEB)

    Secchi, R.; Vallat, D.; Cyssau, R. (COSTIC, Saint Remy-les-Chevreuse (France))

    This article presents a campaign of measurements of which the aim is the observation of consumptions, for individual installations equiped with a hot water tank. The study takes an interest in the temperature of the water in the tank and the instantaneous power of the generator. The instrumentation, the installations and the results of this campaign are presented in this paper. The conclusion is the ''economic'' temperature of hot sanitary water is below 60/sup 0/C but above 55/sup 0/C.

  12. Whole body cooling by immersion in water at moderate temperatures.

    Science.gov (United States)

    Marino, F; Booth, J

    1998-06-01

    This study investigated the potential use of whole body cooling by water immersion for lowering body temperatures prior to endurance exercise. Rectal temperature (Tre), mean skin temperature (Tsk), oxygen consumption (VO2), and ventilation (VE) were measured in 7 male and 3 female subjects who were immersed in a water bath for up to 60 min. Initial water temperature was 28.8+/-1.5 degrees C and decreased to 23.8+/-1.1 degrees C by the end of immersion. Pre-immersion Tre of 37.34+/-0.36 degrees C was not altered by 60 min water immersion but decreased to 36.64+/-0.34 degrees C at 3 min post immersion (p immersion. Reductions in Tre and Tsk resulted in reduced body heat content (Hc) of approximately 545 kJ (p immersion. VO2 and VE increased from pre-immersion values of 0.34+/-0.08 L x min(-1) and 6.2+/-1.4 L x min(-1) to 0.54+/-0.09 L x min(-) and 11.5+/-5.4 L x min(-1) at the end of immersion, respectively. Heart rate remained unchanged throughout immersion. These results indicate that whole body immersion in moderately cold water temperatures is an effective cooling maneuver for lowering body temperatures and body Hc in the absence of severe physiological responses generally associated with sudden cold stress.

  13. Applying Fibre-Optic Distributed Temperature Sensing to Near-surface Temperature Dynamics of Broadacre Cereals During Radiant Frost Events.

    Science.gov (United States)

    Stutsel, B.; Callow, J. N.

    2017-12-01

    Radiant frost events, particularly those during the reproductive stage of winter cereal growth, cost growers millions of dollars in lost yield. Whilst synoptic drivers of frost and factors influencing temperature variation at the landscape scale are relatively well understood, there is a lack of knowledge surrounding small-scale temperature dynamics within paddocks and plot trials. Other work has also suggested a potential significant temperature gradient (several degrees) vertically from ground to canopy, but this is poorly constrained experimentally. Subtle changes in temperature are important as frost damage generally occurs in a very narrow temperature range (-2 to -5°C). Once a variety's damage threshold is reached, a 1°C difference in minimum temperature can increase damage from 10 to 90%. This study applies Distributed Temperature Sensing (DTS) using fibre optics to understand how minimum temperature evolves during a radiant frost. DTS assesses the difference in attenuation of Raman scattering of a light pulse travelling along a fibre optic cable to measure temperature. A bend insensitive multimode fibre was deployed in a double ended duplex configuration as a "fence" run through four times of sowing at a trial site in the Western Australian Wheatbelt. The fibre optic fence was 160m long and 800mm tall with the fibre optic cable spaced 100mm apart vertically, and calibrated in ambient water ( 10 to 15oC) and a chilled glycol ( -8 to-10 oC) baths. The temperature measurements had a spatial resolution of 0.65m and temporal resolution of 60s, providing 2,215 measurements every minute. The results of this study inform our understanding of the subtle temperature changes from the soil to canopy, providing new insight into how to place traditional temperature loggers to monitor frost damage. It also addresses questions of within-trial temperature variability, and provides an example of how novel techniques such as DTS can be used to improve the way temperature

  14. Soil Water and Temperature System (SWATS) Instrument Handbook

    Energy Technology Data Exchange (ETDEWEB)

    Cook, David R. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2016-04-01

    The soil water and temperature system (SWATS) provides vertical profiles of soil temperature, soil-water potential, and soil moisture as a function of depth below the ground surface at hourly intervals. The temperature profiles are measured directly by in situ sensors at the Central Facility and many of the extended facilities of the U.S. Department of Energy (DOE)’s Atmospheric Radiation Measurement (ARM) Climate Research Facility Southern Great Plains (SGP) site. The soil-water potential and soil moisture profiles are derived from measurements of soil temperature rise in response to small inputs of heat. Atmospheric scientists use the data in climate models to determine boundary conditions and to estimate the surface energy flux. The data are also useful to hydrologists, soil scientists, and agricultural scientists for determining the state of the soil.

  15. Dynamic modeling of temperature change in outdoor operated tubular photobioreactors.

    Science.gov (United States)

    Androga, Dominic Deo; Uyar, Basar; Koku, Harun; Eroglu, Inci

    2017-07-01

    In this study, a one-dimensional transient model was developed to analyze the temperature variation of tubular photobioreactors operated outdoors and the validity of the model was tested by comparing the predictions of the model with the experimental data. The model included the effects of convection and radiative heat exchange on the reactor temperature throughout the day. The temperatures in the reactors increased with increasing solar radiation and air temperatures, and the predicted reactor temperatures corresponded well to the measured experimental values. The heat transferred to the reactor was mainly through radiation: the radiative heat absorbed by the reactor medium, ground radiation, air radiation, and solar (direct and diffuse) radiation, while heat loss was mainly through the heat transfer to the cooling water and forced convection. The amount of heat transferred by reflected radiation and metabolic activities of the bacteria and pump work was negligible. Counter-current cooling was more effective in controlling reactor temperature than co-current cooling. The model developed identifies major heat transfer mechanisms in outdoor operated tubular photobioreactors, and accurately predicts temperature changes in these systems. This is useful in determining cooling duty under transient conditions and scaling up photobioreactors. The photobioreactor design and the thermal modeling were carried out and experimental results obtained for the case study of photofermentative hydrogen production by Rhodobacter capsulatus, but the approach is applicable to photobiological systems that are to be operated under outdoor conditions with significant cooling demands.

  16. Temperature impacts on the water year 2014 drought in California

    Science.gov (United States)

    Shukla, Shraddhanand; Safeeq, Mohammad; AghaKouchak, Amir; Guan, Kaiyu; Funk, Christopher C.

    2015-01-01

    California is experiencing one of the worst droughts on record. Here we use a hydrological model and risk assessment framework to understand the influence of temperature on the water year (WY) 2014 drought in California and examine the probability that this drought would have been less severe if temperatures resembled the historical climatology. Our results indicate that temperature played an important role in exacerbating the WY 2014 drought severity. We found that if WY 2014 temperatures resembled the 1916–2012 climatology, there would have been at least an 86% chance that winter snow water equivalent and spring-summer soil moisture and runoff deficits would have been less severe than the observed conditions. We also report that the temperature forecast skill in California for the important seasons of winter and spring is negligible, beyond a lead-time of one month, which we postulate might hinder skillful drought prediction in California.

  17. Optimum hot water temperature for absorption solar cooling

    Energy Technology Data Exchange (ETDEWEB)

    Lecuona, A.; Ventas, R.; Venegas, M.; Salgado, R. [Dpto. Ingenieria Termica y de Fluidos, Universidad Carlos III de Madrid, Avda. Universidad 30, 28911 Leganes, Madrid (Spain); Zacarias, A. [ESIME UPA, IPN, Av. de las Granjas 682, Col. Santa Catarina, 02550, D.F. Mexico (Mexico)

    2009-10-15

    The hot water temperature that maximizes the overall instantaneous efficiency of a solar cooling facility is determined. A modified characteristic equation model is used and applied to single-effect lithium bromide-water absorption chillers. This model is based on the characteristic temperature difference and serves to empirically calculate the performance of real chillers. This paper provides an explicit equation for the optimum temperature of vapor generation, in terms of only the external temperatures of the chiller. The additional data required are the four performance parameters of the chiller and essentially a modified stagnation temperature from the detailed model of the thermal collector operation. This paper presents and discusses the results for small capacity machines for air conditioning of homes and small buildings. The discussion highlights the influence of the relevant parameters. (author)

  18. Efficient dynamic scarcity pricing in urban water supply

    Science.gov (United States)

    Lopez-Nicolas, Antonio; Pulido-Velazquez, Manuel; Rougé, Charles; Harou, Julien J.; Escriva-Bou, Alvar

    2017-04-01

    Water pricing is a key instrument for water demand management. Despite the variety of existing strategies for urban water pricing, urban water rates are often far from reflecting the real value of the resource, which increases with water scarcity. Current water rates do not bring any incentive to reduce water use in water scarcity periods, since they do not send any signal to the users of water scarcity. In California, the recent drought has spurred the implementation of drought surcharges and penalties to reduce residential water use, although it is not a common practice yet. In Europe, the EU Water Framework Directive calls for the implementation of new pricing policies that assure the contribution of water users to the recovery of the cost of water services (financial instrument) while providing adequate incentives for an efficient use of water (economic instrument). Not only financial costs should be recovered but also environmental and resource (opportunity) costs. A dynamic pricing policy is efficient if the prices charged correspond to the marginal economic value of water, which increases with water scarcity and is determined by the value of water for all alternative uses in the basin. Therefore, in the absence of efficient water markets, measuring the opportunity costs of scarce water can only be achieved through an integrated basin-wide hydroeconomic simulation approach. The objective of this work is to design a dynamic water rate for urban water supply accounting for the seasonal marginal value of water in the basin, related to water scarcity. The dynamic pricing policy would send to the users a signal of the economic value of the resource when water is scarce, therefore promoting more efficient water use. The water rate is also designed to simultaneously meet the expected basic requirements for water tariffs: revenue sufficiency (cost recovery) and neutrality, equity and affordability, simplicity and efficiency. A dynamic increasing block rate (IBR

  19. IMPACT OF WATER TEMPERATURE ON ZEBRA MUSSEL MORTALITY

    Energy Technology Data Exchange (ETDEWEB)

    Daniel P. Molloy

    2002-08-07

    These tests conducted this past quarter have indicated that the bacterium Pseudomonas fluorescens strain CL0145A is effective at killing zebra mussels at water temperatures ranging from 7 to 23 C. Percent kill will likely be somewhat lower at very low temperatures, e.g., 7 C, but even at such low temperatures high mussel kill can still be achieved (>70% kill). This is significant because the development of a zebra mussel control method that is efficacious in such a wide range of temperatures broadens its usefulness as a potential commercial product.

  20. A New Calculation Method of Dynamic Kill Fluid Density Variation during Deep Water Drilling

    Directory of Open Access Journals (Sweden)

    Honghai Fan

    2017-01-01

    Full Text Available There are plenty of uncertainties and enormous challenges in deep water drilling due to complicated shallow flow and deep strata of high temperature and pressure. This paper investigates density of dynamic kill fluid and optimum density during the kill operation process in which dynamic kill process can be divided into two stages, that is, dynamic stable stage and static stable stage. The dynamic kill fluid consists of a single liquid phase and different solid phases. In addition, liquid phase is a mixture of water and oil. Therefore, a new method in calculating the temperature and pressure field of deep water wellbore is proposed. The paper calculates the changing trend of kill fluid density under different temperature and pressure by means of superposition method, nonlinear regression, and segment processing technique. By employing the improved model of kill fluid density, deep water kill operation in a well is investigated. By comparison, the calculated density results are in line with the field data. The model proposed in this paper proves to be satisfactory in optimizing dynamic kill operations to ensure the safety in deep water.

  1. Increasing Water Temperature Triggers Dominance of Small Freshwater Plankton.

    Science.gov (United States)

    Rasconi, Serena; Gall, Andrea; Winter, Katharina; Kainz, Martin J

    2015-01-01

    Climate change scenarios predict that lake water temperatures will increase up to 4°C and rainfall events will become more intense and frequent by the end of this century. Concurrently, supply of humic substances from terrestrial runoff is expected to increase, resulting in darker watercolor ("brownification") of aquatic ecosystems. Using a multi-seasonal, low trophic state mesocosm experiment, we investigated how higher water temperature and brownification affect plankton community composition, phenology, and functioning. We tested the hypothesis that higher water temperature (+3°C) and brownification will, a) cause plankton community composition to shift toward small sized phytoplankton and cyanobacteria, and, b) extend the length of the growing season entailing higher phytoplankton production later in the season. We demonstrate that the 3°C increase of water temperature favored the growth of heterotrophic bacteria and small sized autotrophic picophytoplankton cells with significantly higher primary production during warmer fall periods. However, 3X darker water (effect of brownification) caused no significant changes in the plankton community composition or functioning relative to control conditions. Our findings reveal that increased temperature change plankton community structure by favoring smaller sized species proliferation (autotrophic phytoplankton and small size cladocerans), and increase primary productivity and community turnover. Finally, results of this multi-seasonal experiment suggest that warming by 3°C in aquatic ecosystems of low trophic state may cause planktonic food web functioning to become more dominated by fast growing, r-trait species (i.e., small sizes and rapid development).

  2. Water Plume Temperature Measurements by an Unmanned Aerial System (UAS

    Directory of Open Access Journals (Sweden)

    Anthony DeMario

    2017-02-01

    Full Text Available We report on the development and testing of a proof of principle water temperature measurement system deployed on an unmanned aerial system (UAS, for field measurements of thermal discharges into water. The primary elements of the system include a quad-copter UAS to which has been integrated, for the first time, both a thermal imaging infrared (IR camera and an immersible probe that can be dipped below the water surface to obtain vertical water temperature profiles. The IR camera is used to take images of the overall water surface to geo-locate the plume, while the immersible probe provides quantitative temperature depth profiles at specific locations. The full system has been tested including the navigation of the UAS, its ability to safely carry the sensor payload, and the performance of both the IR camera and the temperature probe. Finally, the UAS sensor system was successfully deployed in a pilot field study at a coal burning power plant, and obtained images and temperature profiles of the thermal effluent.

  3. Water Plume Temperature Measurements by an Unmanned Aerial System (UAS).

    Science.gov (United States)

    DeMario, Anthony; Lopez, Pete; Plewka, Eli; Wix, Ryan; Xia, Hai; Zamora, Emily; Gessler, Dan; Yalin, Azer P

    2017-02-07

    We report on the development and testing of a proof of principle water temperature measurement system deployed on an unmanned aerial system (UAS), for field measurements of thermal discharges into water. The primary elements of the system include a quad-copter UAS to which has been integrated, for the first time, both a thermal imaging infrared (IR) camera and an immersible probe that can be dipped below the water surface to obtain vertical water temperature profiles. The IR camera is used to take images of the overall water surface to geo-locate the plume, while the immersible probe provides quantitative temperature depth profiles at specific locations. The full system has been tested including the navigation of the UAS, its ability to safely carry the sensor payload, and the performance of both the IR camera and the temperature probe. Finally, the UAS sensor system was successfully deployed in a pilot field study at a coal burning power plant, and obtained images and temperature profiles of the thermal effluent.

  4. Reconstructing bottom water temperatures from measurements of temperature and thermal diffusivity in marine sediments

    Science.gov (United States)

    Miesner, F.; Lechleiter, A.; Müller, C.

    2015-07-01

    Continuous monitoring of oceanic bottom water temperatures is a complicated task, even in relatively easy-to-access basins like the North or Baltic seas. Here, a method to determine annual bottom water temperature variations from inverse modeling of instantaneous measurements of temperatures and sediment thermal properties is presented. This concept is similar to climate reconstructions over several thousand years from deep borehole data. However, in contrast, the presented method aims at reconstructing the recent temperature history of the last year from sediment thermal properties and temperatures from only a few meters depth. For solving the heat equation, a commonly used forward model is introduced and analyzed: knowing the bottom water temperature variations for the preceding years and the thermal properties of the sediments, the forward model determines the sediment temperature field. The bottom water temperature variation is modeled as an annual cosine defined by the mean temperature, the amplitude and a phase shift. As the forward model operator is non-linear but low-dimensional, common inversion schemes such as the Newton algorithm can be utilized. The algorithms are tested for artificial data with different noise levels and for two measured data sets: from the North Sea and from the Davis Strait. Both algorithms used show stable and satisfying results with reconstruction errors in the same magnitude as the initial data error. In particular, the artificial data sets are reproduced with accuracy within the bounds of the artificial noise level. Furthermore, the results for the measured North Sea data show small variances and resemble the bottom water temperature variations recorded from a nearby monitoring site with relative errors smaller than 1 % in all parameters.

  5. Fast Rotational Diffusion of Water Molecules in a 2D Hydrogen Bond Network at Cryogenic Temperatures

    Science.gov (United States)

    Prisk, T. R.; Hoffmann, C.; Kolesnikov, A. I.; Mamontov, E.; Podlesnyak, A. A.; Wang, X.; Kent, P. R. C.; Anovitz, L. M.

    2018-05-01

    Individual water molecules or small clusters of water molecules contained within microporous minerals present an extreme case of confinement where the local structure of hydrogen bond networks are dramatically altered from bulk water. In the zinc silicate hemimorphite, the water molecules form a two-dimensional hydrogen bond network with hydroxyl groups in the crystal framework. Here, we present a combined experimental and theoretical study of the structure and dynamics of water molecules within this network. The water molecules undergo a continuous phase transition in their orientational configuration analogous to a two-dimensional Ising model. The incoherent dynamic structure factor reveals two thermally activated relaxation processes, one on a subpicosecond timescale and another on a 10-100 ps timescale, between 70 and 130 K. The slow process is an in-plane reorientation of the water molecule involving the breaking of hydrogen bonds with a framework that, despite the low temperatures involved, is analogous to rotational diffusion of water molecules in the bulk liquid. The fast process is a localized motion of the water molecule with no apparent analogs among known bulk or confined phases of water.

  6. Sea water desalination utilizing waste heat by low temperature evaporation

    International Nuclear Information System (INIS)

    Raha, A.; Srivastava, A.; Rao, I.S.; Majumdar, M.; Srivastava, V.K.; Tewari, P.K.

    2007-01-01

    Economics of a process is controlled by management of energy and resources. Fresh water has become most valued resource in industries. Desalination is a process by which fresh water resource is generated from sea water or brackish water, but it is an energy intensive process. The energy cost contributes around 25-40% to the total cost of the desalted water. Utilization of waste heat from industrial streams is one of the ecofriendly ways to produce low cost desalted water. Keeping this in mind Low Temperature Evaporation (LTE) desalination technology utilizing low quality waste heat in the form of hot water (as low as 50 deg C) or low pressure steam (0.13 bar) has been developed for offshore and land based applications to produce high purity water (conductivity < 2μS/cm) from sea water. The probability of the scale formation is practically eliminated by operating it at low temperature and controlling the brine concentration. It also does not require elaborate chemical pretreatment of sea water except chlorination, so it has no environmental impact. LTE technology has found major applications in nuclear reactors where large quantity of low quality waste heat is available to produce high quality desalted water for make up water requirement replacing conventional ion exchange process. Successful continuous operation of 30 Te/day LTE desalination plant utilizing waste heat from nuclear research reactor has demonstrated the safety, reliability, extreme plant availability and economics of nuclear desalination by LTE technology. It is also proposed to utilize waste heat from Main Heat Transport (MHT) purification circuit of Advanced Heavy Water Reactor (AHWR) to produce about 250 Te/ day high quality desalinated water by Low Temperature Evaporation (LTE) process for the reactor make up and plant utilization. Recently we have commissioned a 50 Te/day 2-effect low temperature desalination plant with cooling tower where the specific energy and cooling water requirement are

  7. Combining Remote Temperature Sensing with in-Situ Sensing to Track Marine/Freshwater Mixing Dynamics

    Directory of Open Access Journals (Sweden)

    Margaret McCaul

    2016-08-01

    Full Text Available The ability to track the dynamics of processes in natural water bodies on a global scale, and at a resolution that enables highly localised behaviour to be visualized, is an ideal scenario for understanding how local events can influence the global environment. While advances in in-situ chem/bio-sensing continue to be reported, costs and reliability issues still inhibit the implementation of large-scale deployments. In contrast, physical parameters like surface temperature can be tracked on a global scale using satellite remote sensing, and locally at high resolution via flyovers and drones using multi-spectral imaging. In this study, we show how a much more complete picture of submarine and intertidal groundwater discharge patterns in Kinvara Bay, Galway can be achieved using a fusion of data collected from the Earth Observation satellite (Landsat 8, small aircraft and in-situ sensors. Over the course of the four-day field campaign, over 65,000 in-situ temperatures, salinity and nutrient measurements were collected in parallel with high-resolution thermal imaging from aircraft flyovers. The processed in-situ data show highly correlated patterns between temperature and salinity at the southern end of the bay where freshwater springs can be identified at low tide. Salinity values range from 1 to 2 ppt at the southern end of the bay to 30 ppt at the mouth of the bay, indicating the presence of a freshwater wedge. The data clearly show that temperature differences can be used to track the dynamics of freshwater and seawater mixing in the inner bay region. This outcome suggests that combining the tremendous spatial density and wide geographical reach of remote temperature sensing (using drones, flyovers and satellites with ground-truthing via appropriately located in-situ sensors (temperature, salinity, chemical, and biological can produce a much more complete and accurate picture of the water dynamics than each modality used in isolation.

  8. Combining Remote Temperature Sensing with in-Situ Sensing to Track Marine/Freshwater Mixing Dynamics.

    Science.gov (United States)

    McCaul, Margaret; Barland, Jack; Cleary, John; Cahalane, Conor; McCarthy, Tim; Diamond, Dermot

    2016-08-31

    The ability to track the dynamics of processes in natural water bodies on a global scale, and at a resolution that enables highly localised behaviour to be visualized, is an ideal scenario for understanding how local events can influence the global environment. While advances in in-situ chem/bio-sensing continue to be reported, costs and reliability issues still inhibit the implementation of large-scale deployments. In contrast, physical parameters like surface temperature can be tracked on a global scale using satellite remote sensing, and locally at high resolution via flyovers and drones using multi-spectral imaging. In this study, we show how a much more complete picture of submarine and intertidal groundwater discharge patterns in Kinvara Bay, Galway can be achieved using a fusion of data collected from the Earth Observation satellite (Landsat 8), small aircraft and in-situ sensors. Over the course of the four-day field campaign, over 65,000 in-situ temperatures, salinity and nutrient measurements were collected in parallel with high-resolution thermal imaging from aircraft flyovers. The processed in-situ data show highly correlated patterns between temperature and salinity at the southern end of the bay where freshwater springs can be identified at low tide. Salinity values range from 1 to 2 ppt at the southern end of the bay to 30 ppt at the mouth of the bay, indicating the presence of a freshwater wedge. The data clearly show that temperature differences can be used to track the dynamics of freshwater and seawater mixing in the inner bay region. This outcome suggests that combining the tremendous spatial density and wide geographical reach of remote temperature sensing (using drones, flyovers and satellites) with ground-truthing via appropriately located in-situ sensors (temperature, salinity, chemical, and biological) can produce a much more complete and accurate picture of the water dynamics than each modality used in isolation.

  9. Assessments of Water Ingress Accidents in a Modular High-Temperature Gas-Cooled Reactor

    International Nuclear Information System (INIS)

    Zhang Zuoyi; Dong Yujie; Scherer, Winfried

    2005-01-01

    Severe water ingress accidents in the 200-MW HTR-module were assessed to determine the safety margins of modular pebble-bed high-temperature gas-cooled reactors (HTR-module). The 200-MW HTR-module was designed by Siemens under the criteria that no active safety protection systems were necessary because of its inherent safe nature. For simulating the behavior of the HTR-module during severe water ingress accidents, a water, steam, and helium multiphase cavity model was developed and implemented in the dynamic simulator for nuclear power plants (DSNP) simulation system. Comparisons of the DSNP simulations incorporating these models with experiments and with calculations using the time-dependent neutronics and temperature dynamics code were made to validate the simulation. The analysis of the primary circuit showed that the maximum water concentration increase in the reactor core was 3 s). The water vaporization in the steam generator and characteristics of water transport from the steam generator to the reactor core would reduce the rate of water ingress into the reactor core. The analysis of a full cavitation of the feedwater pump showed that if the secondary circuit could be depressurized, the feedwater pump would be stopped by the full cavitation. This limits the water transported from the deaerator to the steam generator. A comprehensive simulation of the HTR-module power plant showed that the water inventory in the primary circuit was limited to ∼3000 kg. The nuclear reactivity increase caused by the water ingress would lead to a fast power excursion, which would be inherently counterbalanced by negative feedback effects. The integrity of the fuel elements, because the safety-relevant temperature limit of 1600 deg. C is not reached in any case, is not challenged

  10. Genetic Programming and Standardization in Water Temperature Modelling

    Directory of Open Access Journals (Sweden)

    Maritza Arganis

    2009-01-01

    Full Text Available An application of Genetic Programming (an evolutionary computational tool without and with standardization data is presented with the aim of modeling the behavior of the water temperature in a river in terms of meteorological variables that are easily measured, to explore their explanatory power and to emphasize the utility of the standardization of variables in order to reduce the effect of those with large variance. Recorded data corresponding to the water temperature behavior at the Ebro River, Spain, are used as analysis case, showing a performance improvement on the developed model when data are standardized. This improvement is reflected in a reduction of the mean square error. Finally, the models obtained in this document were applied to estimate the water temperature in 2004, in order to provide evidence about their applicability to forecasting purposes.

  11. A Water Temperature Simulation Model for Rice Paddies With Variable Water Depths

    Science.gov (United States)

    Maruyama, Atsushi; Nemoto, Manabu; Hamasaki, Takahiro; Ishida, Sachinobu; Kuwagata, Tsuneo

    2017-12-01

    A water temperature simulation model was developed to estimate the effects of water management on the thermal environment in rice paddies. The model was based on two energy balance equations: for the ground and for the vegetation, and considered the water layer and changes in the aerodynamic properties of its surface with water depth. The model was examined with field experiments for water depths of 0 mm (drained conditions) and 100 mm (flooded condition) at two locations. Daily mean water temperatures in the flooded condition were mostly higher than in the drained condition in both locations, and the maximum difference reached 2.6°C. This difference was mainly caused by the difference in surface roughness of the ground. Heat exchange by free convection played an important role in determining water temperature. From the model simulation, the temperature difference between drained and flooded conditions was more apparent under low air temperature and small leaf area index conditions; the maximum difference reached 3°C. Most of this difference occurred when the range of water depth was lower than 50 mm. The season-long variation in modeled water temperature showed good agreement with an observation data set from rice paddies with various rice-growing seasons, for a diverse range of water depths (root mean square error of 0.8-1.0°C). The proposed model can estimate water temperature for a given water depth, irrigation, and drainage conditions, which will improve our understanding of the effect of water management on plant growth and greenhouse gas emissions through the thermal environment of rice paddies.

  12. Water temperature in irrigation return flow from the Upper Snake Rock watershed

    Science.gov (United States)

    Water returning to a river from an irrigated watershed could increase the water temperature in the river. The objective of this study was to compare the temperature of irrigation return flow water with the temperature of the diverted irrigation water. Water temperature was measured weekly in the mai...

  13. Estimating temperature reactivity coefficients by experimental procedures combined with isothermal temperature coefficient measurements and dynamic identification

    International Nuclear Information System (INIS)

    Tsuji, Masashi; Aoki, Yukinori; Shimazu, Yoichiro; Yamasaki, Masatoshi; Hanayama, Yasushi

    2006-01-01

    A method to evaluate the moderator coefficient (MTC) and the Doppler coefficient through experimental procedures performed during reactor physics tests of PWR power plants is proposed. This method combines isothermal temperature coefficient (ITC) measurement experiments and reactor power transient experiments at low power conditions for dynamic identification. In the dynamic identification, either one of temperature coefficients can be determined in such a way that frequency response characteristics of the reactivity change observed by a digital reactivity meter is reproduced from measured data of neutron count rate and the average coolant temperature. The other unknown coefficient can also be determined by subtracting the coefficient obtained from the dynamic identification from ITC. As the proposed method can directly estimate the Doppler coefficient, the applicability of the conventional core design codes to predict the Doppler coefficient can be verified for new types of fuels such as mixed oxide fuels. The digital simulation study was carried out to show the feasibility of the proposed method. The numerical analysis showed that the MTC and the Doppler coefficient can be estimated accurately and even if there are uncertainties in the parameters of the reactor kinetics model, the accuracies of the estimated values are not seriously impaired. (author)

  14. Predicting Impact of Climate Change on Water Temperature and Dissolved Oxygen in Tropical Rivers

    Directory of Open Access Journals (Sweden)

    Al-Amin Danladi Bello

    2017-07-01

    Full Text Available Predicting the impact of climate change and human activities on river systems is imperative for effective management of aquatic ecosystems. Unique information can be derived that is critical to the survival of aquatic species under dynamic environmental conditions. Therefore, the response of a tropical river system under climate and land-use changes from the aspects of water temperature and dissolved oxygen concentration were evaluated. Nine designed projected climate change scenarios and three future land-use scenarios were integrated into the Hydrological Simulation Program FORTRAN (HSPF model to determine the impact of climate change and land-use on water temperature and dissolved oxygen (DO concentration using basin-wide simulation of river system in Malaysia. The model performance coefficients showed a good correlation between simulated and observed streamflow, water temperature, and DO concentration in a monthly time step simulation. The Nash–Sutcliffe Efficiency for streamflow was 0.88 for the calibration period and 0.82 for validation period. For water temperature and DO concentration, data from three stations were calibrated and the Nash–Sutcliffe Efficiency for both water temperature and DO ranged from 0.53 to 0.70. The output of the calibrated model under climate change scenarios show that increased rainfall and air temperature do not affects DO concentration and water temperature as much as the condition of a decrease in rainfall and increase in air temperature. The regression model on changes in streamflow, DO concentration, and water temperature under the climate change scenarios illustrates that scenarios that produce high to moderate streamflow, produce small predicted change in water temperatures and DO concentrations compared with the scenarios that produced a low streamflow. It was observed that climate change slightly affects the relationship between water temperatures and DO concentrations in the tropical rivers that we

  15. Water-Protein Interactions: The Secret of Protein Dynamics

    Directory of Open Access Journals (Sweden)

    Silvia Martini

    2013-01-01

    Full Text Available Water-protein interactions help to maintain flexible conformation conditions which are required for multifunctional protein recognition processes. The intimate relationship between the protein surface and hydration water can be analyzed by studying experimental water properties measured in protein systems in solution. In particular, proteins in solution modify the structure and the dynamics of the bulk water at the solute-solvent interface. The ordering effects of proteins on hydration water are extended for several angstroms. In this paper we propose a method for analyzing the dynamical properties of the water molecules present in the hydration shells of proteins. The approach is based on the analysis of the effects of protein-solvent interactions on water protons NMR relaxation parameters. NMR relaxation parameters, especially the nonselective (R1NS and selective (R1SE spin-lattice relaxation rates of water protons, are useful for investigating the solvent dynamics at the macromolecule-solvent interfaces as well as the perturbation effects caused by the water-macromolecule interactions on the solvent dynamical properties. In this paper we demonstrate that Nuclear Magnetic Resonance Spectroscopy can be used to determine the dynamical contributions of proteins to the water molecules belonging to their hydration shells.

  16. Modeling temperature dependent singlet exciton dynamics in multilayered organic nanofibers

    Science.gov (United States)

    de Sousa, Leonardo Evaristo; de Oliveira Neto, Pedro Henrique; Kjelstrup-Hansen, Jakob; da Silva Filho, Demétrio Antônio

    2018-05-01

    Organic nanofibers have shown potential for application in optoelectronic devices because of the tunability of their optical properties. These properties are influenced by the electronic structure of the molecules that compose the nanofibers and also by the behavior of the excitons generated in the material. Exciton diffusion by means of Förster resonance energy transfer is responsible, for instance, for the change with temperature of colors in the light emitted by systems composed of different types of nanofibers. To study in detail this mechanism, we model temperature dependent singlet exciton dynamics in multilayered organic nanofibers. By simulating absorption and emission spectra, the possible Förster transitions are identified. Then, a kinetic Monte Carlo model is employed in combination with a genetic algorithm to theoretically reproduce time-resolved photoluminescence measurements for several temperatures. This procedure allows for the obtainment of different information regarding exciton diffusion in such a system, including temperature effects on the Förster transfer efficiency and the activation energy of the Förster mechanism. The method is general and may be employed for different systems where exciton diffusion plays a role.

  17. Eclosion rate, development and survivorship of Aedes albopictus (Skuse)(Diptera: Culicidae) under different water temperatures

    International Nuclear Information System (INIS)

    Monteiro, Laura C.C.; Souza, Jose R.B. de; Albuquerque, Cleide M.R. de

    2007-01-01

    In tropical areas, where vector insects populations are particularly numerous, temperature usually range between 25 de C and 35 deg C. Considering the importance of such temperature variation in determining mosquitoes population dynamics, in this work the developmental, eclosion and survival rates of the immature stages of Aedes albopictus (Skuse) were compared under constant 25, 30 and 35 deg C (using acclimatized chambers) and environmental (25 deg C to 29 deg C) temperatures. The hatching rate was considered as total number of larvae recovered after 24h. The development period as well as larval and pupal survival rate were evaluated daily. Eclosion rate was significantly higher under environmental temperature than under the studied constant temperatures, suggesting that temperature variation may be an eclosion-stimulating factor. The mean eclosion time increased with the temperature, ranging from 2.8 h (25 deg C) to 5.2 h (35 deg C). The larval period was greatly variable inside each group, although it did not differ significantly amongst groups (11.0 +- 4.19 days), with individuals showing longer larval stages in water at 35 deg C (12.0 +- 4.95 days) and environmental temperature (13.6 +- 5.98 days). Oppositely, survival was strongly affected by the higher temperature, where only one individual lived through to adult phase. The results suggest that population of Ae. albopictus from Recife may be adapting to increasing of environmental temperatures and that the limiting temperature to larval development is around 35 deg C. (author)

  18. Temperature and particle-size dependent viscosity data for water-based nanofluids - Hysteresis phenomenon

    International Nuclear Information System (INIS)

    Nguyen, C.T.; Desgranges, F.; Roy, G.; Galanis, N.; Mare, T.; Boucher, S.; Angue Mintsa, H.

    2007-01-01

    In the present paper, we have investigated experimentally the influence of both the temperature and the particle size on the dynamic viscosities of two particular water-based nanofluids, namely water-Al 2 O 3 and water-CuO mixtures. The measurement of nanofluid dynamic viscosities was accomplished using a 'piston-type' calibrated viscometer based on the Couette flow inside a cylindrical measurement chamber. Data were collected for temperatures ranging from ambient to 75 deg. C, for water-Al 2 O 3 mixtures with two different particle diameters, 36 nm and 47 nm, as well as for water-CuO nanofluid with 29 nm particle size. The results show that for particle volume fractions lower than 4%, viscosities corresponding to 36 nm and 47 nm particle-size alumina-water nanofluids are approximately identical. For higher particle fractions, viscosities of 47 nm particle-size are clearly higher than those of 36 nm size. Viscosities corresponding to water-oxide copper are the highest among the nanofluids tested. The temperature effect has been investigated thoroughly. A more complete viscosity data base is presented for the three nanofluids considered, with several experimental correlations proposed for low particle volume fractions. It has been found that the application of Einstein's formula and those derived from the linear fluid theory seems not to be appropriate for nanofluids. The hysteresis phenomenon on viscosity measurement, which is believed to be the first observed for nanofluids, has raised serious concerns regarding the use of nanofluids for heat transfer enhancement purposes

  19. Nanostructural studies on monoelaidin-water systems at low temperatures.

    Science.gov (United States)

    Kulkarni, Chandrashekhar V

    2011-10-04

    In recent years, lipid based nanostructures have increasingly been used as model membranes to study various complex biological processes. For better understanding of such phenomena, it is essential to gain as much information as possible for model lipid structures under physiological conditions. In this paper, we focus on one of such lipids--monoelaidin (ME)--for its polymorphic nanostructures under varying conditions of temperature and water content. In the recent contribution (Soft Matter, 2010, 6, 3191), we have reported the phase diagram of ME above 30 °C and compared with the phase behavior of other lipids including monoolein (MO), monovaccenin (MV), and monolinolein (ML). Remarkable phase behavior of ME, stabilizing three bicontinuous cubic phases, motivates its study at low temperatures. Current studies concentrate on the low-temperature (ME and subsequent reconstruction of its phase diagram over the entire temperature-water composition space (temperature, 0-76 °C; and water content, 0-70%). The polymorphs found for the monoelaidin-water system include three bicontinuous cubic phases, i.e., Ia3d, Pn3m, and Im3m, and lamellar phases which exhibit two crystalline (L(c1) and L(c0)), two gel (L(β) and L(β*)), and a fluid lamellar (L(α)) states. The fluid isotropic phase (L(2)) was observed only for lower hydrations (<20%), whereas hexagonal phase (H(2)) was not found under studied conditions. Nanostructural parameters of these phases as a function of temperature and water content are presented together with some molecular level calculations. This study might be crucial for perception of the lyotropic phase behavior as well as for designing nanostructural assemblies for potential applications. © 2011 American Chemical Society

  20. Microwave measurements of water vapor partial pressure at high temperatures

    International Nuclear Information System (INIS)

    Latorre, V.R.

    1991-01-01

    One of the desired parameters in the Yucca Mountain Project is the capillary pressure of the rock comprising the repository. This parameter is related to the partial pressure of water vapor in the air when in equilibrium with the rock mass. Although there are a number of devices that will measure the relative humidity (directly related to the water vapor partial pressure), they generally will fail at temperatures on the order of 150C. Since thee author has observed borehole temperatures considerably in excess of this value in G-Tunnel at the Nevada Test Site (NTS), a different scheme is required to obtain the desired partial pressure data at higher temperatures. This chapter presents a microwave technique that has been developed to measure water vapor partial pressure in boreholes at temperatures up to 250C. The heart of the system is a microwave coaxial resonator whose resonant frequency is inversely proportional to the square root of the real part of the complex dielectric constant of the medium (air) filling the resonator. The real part of the dielectric constant of air is approximately equal to the square of the refractive index which, in turn, is proportional to the partial pressure of the water vapor in the air. Thus, a microwave resonant cavity can be used to measure changes in the relative humidity or partial pressure of water vapor in the air. Since this type of device is constructed of metal, it is able to withstand very high temperatures. The actual limitation is the temperature limit of the dielectric material in the cable connecting the resonator to its driving and monitoring equipment-an automatic network analyzer in our case. In the following sections, the theory of operation, design, construction, calibration and installation of the microwave diagnostics system is presented. The results and conclusions are also presented, along with suggestions for future work

  1. Understanding the dynamics of citrus water use

    CSIR Research Space (South Africa)

    Taylor, NJ

    2012-12-01

    Full Text Available The quantification of water use of citrus orchards is important in order to prevent stress developing in the orchard and to avoid wasting precious water resources. Measurement of citrus orchard water use is not possible under all environ-mental...

  2. Effect of temperature on compact layer of Pt electrode in PEMFCs by first-principles molecular dynamics calculations

    Energy Technology Data Exchange (ETDEWEB)

    He, Yang [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China); Beijing Key Laboratory of Failure, Corrosion and Protection of Oil/gas Facilities, China University of Petroleum (Beijing), Beijing 102249 (China); Chen, Changfeng, E-mail: chen_c_f@163.com [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China); Beijing Key Laboratory of Failure, Corrosion and Protection of Oil/gas Facilities, China University of Petroleum (Beijing), Beijing 102249 (China); Yu, Haobo [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China); Beijing Key Laboratory of Failure, Corrosion and Protection of Oil/gas Facilities, China University of Petroleum (Beijing), Beijing 102249 (China); Lu, Guiwu [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China)

    2017-01-15

    Highlights: • The structures of water compact layer on Pt(111) at different temperature were calculated. • The feature of chemical bond between water molecules and Pt (111) surface was discussed with temperature increased. • Temperature dependence of electrical strengths and capacitances of compact layer on Pt (111) surface was calculated. - Abstract: Formation of the double-layer electric field and capacitance of the water-metal interface is of significant interest in physicochemical processes. In this study, we perform first- principles molecular dynamics simulations on the water/Pt(111) interface to investigate the temperature dependence of the compact layer electric field and capacitance based on the calculated charge densities. On the Pt (111) surface, water molecules form ice-like structures that exhibit more disorder along the height direction with increasing temperature. The O−H bonds of more water molecules point toward the Pt surface to form Pt−H covalent bonds with increasing temperature, which weaken the corresponding O−H bonds. In addition, our calculated capacitance at 300 K is 15.2 mF/cm{sup 2}, which is in good agreement with the experimental results. As the temperature increases from 10 to 450 K, the field strength and capacitance of the compact layer on Pt (111) first increase and then decrease slightly, which is significant for understanding the water/Pt interface from atomic level.

  3. Does water temperature influence the performance of key survival skills?

    Science.gov (United States)

    Schnitzler, C; Button, C; Seifert, L; Armbrust, G; Croft, J L

    2018-03-01

    Aquatic survival skills may be compromised in cold water thereby increasing the likelihood of drowning. This study compared physiological, psychological, and behavioral responses of humans treading water and swimming in cold and temperate water. Thirty-eight participants were classified as inexperienced (n = 9), recreational (n = 15), or skilled (n = 10) swimmers. They performed 3 tasks: treading water (120 seconds), swim at "comfortable" pace, and swim at "fast" pace in 2 water conditions (28°C vs 10°C). Heart rate, oxygen uptake, psychometric variables, spatio-temporal (swim speed, stroke rate, and stroke length), and coordination type were examined as a function of expertise. Tasks performed in cold water-generated higher cardiorespiratory responses (HR = 145 ± 16 vs 127 ± 21 bpm) and were perceived about 2 points more strenuous on the Borg scale on average (RPE = 14.9 ± 2.8 vs 13.0 ± 2.0). The voluntary durations of both treading water (60 ± 32 vs 91 ± 33 seconds) and swimming at a comfortable pace (66 ± 22 vs 103 ± 34 seconds) were significantly reduced in cold water. However, no systematic changes in movement pattern type could be determined in either the treading water task or the swimming tasks. Water temperature influences the physical demands of these aquatic skills but not necessarily the behavior. Training treading water and swimming skills in temperate water seems to transfer to cold water, but we recommend training these skills in a range of water conditions to help adapt to the initial "cold-shock" response. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  4. Water-temperature data acquisition activities in the United States

    Science.gov (United States)

    Pauszek, F.H.

    1972-01-01

    Along with the growing interest in water quality during the last decade, the need for data on all types of water-quality parameters has also increased. One parameter of particular interest, because of its many ramifications, is temperature. It influences many of the chemical and physical processes that take place in water. The solubility of gases--for example, oxygen and carbon dioxide--and the solution of mineral matter in water are functions of temperature. Such physical properties as density and viscosity vary with temperature. Oxidation of organic materials, as well as algal and bacterial growth, is promoted or retarded by favorable or unfavorable temperatures. Further, temperature bears on the utility of water: as a source of public water supplies; for industrial use, particularly if the water is used for cooling; and in the field of recreation involving contact sports, fishing, and fish culture. In recent years, temperature changes resulting from inflow of heated industrial waste, particularly effluent from power generating plants, have increased the need for temperature data to determine the degree of change, its effect on ecology, and the effect of any remedial action. Thus, because of the many extensive and intensive effects, a large amount of temperature data is collected on surface and ground waters by many agencies throughout the country. Moreover, because of its importance, there is a widespread interest in temperature even by those who are not active collectors of the data themselves. The industrialist, the manager, the public official, and others at one time or another may have need for temperature data and may well raise the questions: Who is collecting temperature data? What is the extent of the activity? Where are the data being collected? The purpose of this report is to answer these questions. The information in the report is confined to the activities of Federal and non-Federal agencies. It is based on information furnished to the Office of

  5. Picosecond orientational dynamics of water in living cells.

    Science.gov (United States)

    Tros, Martijn; Zheng, Linli; Hunger, Johannes; Bonn, Mischa; Bonn, Daniel; Smits, Gertien J; Woutersen, Sander

    2017-10-12

    Cells are extremely crowded, and a central question in biology is how this affects the intracellular water. Here, we use ultrafast vibrational spectroscopy and dielectric-relaxation spectroscopy to observe the random orientational motion of water molecules inside living cells of three prototypical organisms: Escherichia coli, Saccharomyces cerevisiae (yeast), and spores of Bacillus subtilis. In all three organisms, most of the intracellular water exhibits the same random orientational motion as neat water (characteristic time constants ~9 and ~2 ps for the first-order and second-order orientational correlation functions), whereas a smaller fraction exhibits slower orientational dynamics. The fraction of slow intracellular water varies between organisms, ranging from ~20% in E. coli to ~45% in B. subtilis spores. Comparison with the water dynamics observed in solutions mimicking the chemical composition of (parts of) the cytosol shows that the slow water is bound mostly to proteins, and to a lesser extent to other biomolecules and ions.The cytoplasm's crowdedness leads one to expect that cell water is different from bulk water. By measuring the rotational motion of water molecules in living cells, Tros et al. find that apart from a small fraction of water solvating biomolecules, cell water has the same dynamics as bulk water.

  6. Slow Dynamics and Structure of Supercooled Water in Confinement

    Directory of Open Access Journals (Sweden)

    Gaia Camisasca

    2017-04-01

    Full Text Available We review our simulation results on properties of supercooled confined water. We consider two situations: water confined in a hydrophilic pore that mimics an MCM-41 environment and water at interface with a protein. The behavior upon cooling of the α relaxation of water in both environments is well interpreted in terms of the Mode Coupling Theory of glassy dynamics. Moreover, we find a crossover from a fragile to a strong regime. We relate this crossover to the crossing of the Widom line emanating from the liquid-liquid critical point, and in confinement we connect this crossover also to a crossover of the two body excess entropy of water upon cooling. Hydration water exhibits a second, distinctly slower relaxation caused by its dynamical coupling with the protein. The crossover upon cooling of this long relaxation is related to the protein dynamics.

  7. Effects of temperature and water stresses on germination of some ...

    African Journals Online (AJOL)

    Therefore, we opted for the Chetoui variety that better meets the conditions of stresses induced by low temperatures and water deficit. This best performing variety must have, throughout their development cycle, been tolerant to environmental stresses; which allows us to obtain early tools for discriminative selection between ...

  8. Effects of Hot Water Treatment and Temperature on Seedling ...

    African Journals Online (AJOL)

    An experiment was conducted at the Faculty of Agriculture, University of Maiduguri, to study the effect of hot water treatment and temperature on the morphological characteristics of Arabic gum. The experiment was laid out in a Randomized Complete Block Design in a factorial arrangement. The treatments included a ...

  9. Variability in estuarine water temperature gradients and influence on ...

    African Journals Online (AJOL)

    Structure and variability of water temperature gradients and potential influence on distribution of two tropical zooplankters (the mysid Mesopodopsis africana and the copepod Acartia natalensis) and their temperate congenerics (M. wooldridgei and A. longipatella) was investigated over a 10-year period in the Mgazi Estuary, ...

  10. Molecular Dynamics Simulations of a Flexible Polyethylene: A Protein-Like Behaviour in a Water Solvent

    CERN Document Server

    Kretov, D A

    2005-01-01

    We used molecular dynamics (MD) simulations to study the density and the temperature behaviour of a flexible polyethylene (PE) subjected to various heating conditions and to investigate the PE chain conformational changes in a water solvent. First, we have considered the influence of the heating process on the final state of the polymeric system and the sensitivity of its thermodynamic characteristics (density, energy, etc.) for different heating regimes. For this purpose three different simulations were performed: fast, moderate, and slow heating. Second, we have investigated the PE chain conformational dynamics in water solvent for various simulation conditions and various configurations of the environment. From the obtained results we have got the pictures of the PE dynamical motions in water. We have observed a protein-like behaviour of the PE chain, like that of the DNA and the proteins in water, and have also estimated the rates of the conformational changes. For the MD simulations we used the optimized...

  11. Analysis of the NASA AirMOSS Root Zone Soil Water and Soil Temperature from Three North American Ecosystems

    Science.gov (United States)

    Hagimoto, Y.; Cuenca, R. H.

    2015-12-01

    Root zone soil water and temperature are controlling factors for soil organic matter accumulation and decomposition which contribute significantly to the CO2 flux of different ecosystems. An in-situ soil observation protocol developed at Oregon State University has been deployed to observe soil water and temperature dynamics in seven ecological research sites in North America as part of the NASA AirMOSS project. Three instrumented profiles defining a transect of less than 200 m are installed at each site. All three profiles collect data for in-situ water and temperature dynamics employing seven soil water and temperature sensors installed at seven depth levels and one infrared surface temperature sensor monitoring the top of the profile. In addition, two soil heat flux plates and associated thermocouples are installed at one of three profiles at each site. At each profile, a small 80 cm deep access hole is typically made, and all below ground sensors are installed into undisturbed soil on the side of the hole. The hole is carefully refilled and compacted so that root zone soil water and temperature dynamics can be observed with minimum site disturbance. This study focuses on the data collected from three sites: a) Tonzi Ranch, CA; b) Metolius, OR and c) BERMS Old Jack Pine Site, Saskatchewan, Canada. The study describes the significantly different seasonal root zone water and temperature dynamics under the various physical and biological conditions at each site. In addition, this study compares the soil heat flux values estimated by the standard installation using the heat flux plates and thermocouples installed near the surface with those estimated by resolving the soil heat storage based on the soil water and temperature data collected over the total soil profile.

  12. Increasing Water Temperature Triggers Dominance of Small Freshwater Plankton.

    Directory of Open Access Journals (Sweden)

    Serena Rasconi

    Full Text Available Climate change scenarios predict that lake water temperatures will increase up to 4°C and rainfall events will become more intense and frequent by the end of this century. Concurrently, supply of humic substances from terrestrial runoff is expected to increase, resulting in darker watercolor ("brownification" of aquatic ecosystems. Using a multi-seasonal, low trophic state mesocosm experiment, we investigated how higher water temperature and brownification affect plankton community composition, phenology, and functioning. We tested the hypothesis that higher water temperature (+3°C and brownification will, a cause plankton community composition to shift toward small sized phytoplankton and cyanobacteria, and, b extend the length of the growing season entailing higher phytoplankton production later in the season. We demonstrate that the 3°C increase of water temperature favored the growth of heterotrophic bacteria and small sized autotrophic picophytoplankton cells with significantly higher primary production during warmer fall periods. However, 3X darker water (effect of brownification caused no significant changes in the plankton community composition or functioning relative to control conditions. Our findings reveal that increased temperature change plankton community structure by favoring smaller sized species proliferation (autotrophic phytoplankton and small size cladocerans, and increase primary productivity and community turnover. Finally, results of this multi-seasonal experiment suggest that warming by 3°C in aquatic ecosystems of low trophic state may cause planktonic food web functioning to become more dominated by fast growing, r-trait species (i.e., small sizes and rapid development.

  13. Modelling soil water dynamics and crop water uptake at the field level

    NARCIS (Netherlands)

    Kabat, P.; Feddes, R.A.

    1995-01-01

    Parametrization approaches to model soil water dynamics and crop water uptake at field level were analysed. Averaging and numerical difficulties in applying numerical soil water flow models to heterogeneous soils are highlighted. Simplified parametrization approaches to the soil water flow, such as

  14. The influence of increased temperature of waters from Cernavoda NPP on underground water sources

    International Nuclear Information System (INIS)

    Isbasoiu, Eugen Constantin; Marinov, Anca Mariana; Moraru, Carina Nicoleta; Rizescu, Gheorghe

    1997-01-01

    The operation of Cernavoda NPP implies the change of thermal regime of waters in the Danube-Black Sea channel zone. The Danube water is used to cool the NPP systems before being delivered into channel and used in irrigations. The temperature increase of water in Cernavoda NPP installations is between 7 and 12 deg. C. The negative effects of this warming are: 1. limitation of water use for irrigations; 2. occurrence and persistence of fog in channel area; 3. thermal pollution of underground waters and limitation of underground potable water supply. The paper presents a general approach of thermal pollution problems of an aquifer and a mathematical model of forecasting the underground water temperature variation in Danube-Black Sea channel area. (authors)

  15. Dynamics of water clusters confined in proteins: a molecular dynamics simulation study of interfacial waters in a dimeric hemoglobin.

    Science.gov (United States)

    Gnanasekaran, Ramachandran; Xu, Yao; Leitner, David M

    2010-12-23

    Water confined in proteins exhibits dynamics distinct from the dynamics of water in the bulk or near the surface of a biomolecule. We examine the water dynamics at the interface of the two globules of the homodimeric hemoglobin from Scapharca inaequivalvis (HbI) by molecular dynamics (MD) simulations, with focus on water-protein hydrogen bond lifetimes and rotational anisotropy of the interfacial waters. We find that relaxation of the waters at the interface of both deoxy- and oxy-HbI, which contain a cluster of 17 and 11 interfacial waters, respectively, is well described by stretched exponentials with exponents from 0.1 to 0.6 and relaxation times of tens to thousands of picoseconds. The interfacial water molecules of oxy-HbI exhibit slower rotational relaxation and hydrogen bond rearrangement than those of deoxy-HbI, consistent with an allosteric transition from unliganded to liganded conformers involving the expulsion of several water molecules from the interface. Though the interfacial waters are translationally and rotationally static on the picosecond time scale, they contribute to fast communication between the globules via vibrations. We find that the interfacial waters enhance vibrational energy transport across the interface by ≈10%.

  16. Dynamics of water and ions in clays of type montmorillonite by microscopic simulation and quasi-elastic neutron scattering

    International Nuclear Information System (INIS)

    Malikova, N.

    2005-09-01

    Montmorillonite clays in low hydration states, with Na + and Cs + compensating counter ions, are investigated by a combination of microscopic simulation and quasi-elastic neutron scattering to obtain information on the local structure and dynamics of water and ions in the interlayer. At first predictions of simulation into the dynamics of water and ions at elevate temperatures are shown (0 deg C 80 deg C, pertinent for the radioactive waste disposal scenario) Marked difference is observed between the modes of diffusion of the Na + and C + counter ions. In water dynamics, a significant step towards bulk water behaviour is seen on transition from the mono- to bilayer states. Secondly, a detailed comparison between simulation and quasi-elastic neutron scattering (Neutron Spin Echo and Time-of-Flight) regarding ambient temperature water dynamics is presented. Overall, the approaches are found to be in good agreement with each other and limitations of each of the methods are clearly shown. (author)

  17. Simulating future water temperatures in the North Santiam River, Oregon

    Science.gov (United States)

    Buccola, Norman; Risley, John C.; Rounds, Stewart A.

    2016-01-01

    A previously calibrated two-dimensional hydrodynamic and water-quality model (CE-QUAL-W2) of Detroit Lake in western Oregon was used in conjunction with inflows derived from Precipitation-Runoff Modeling System (PRMS) hydrologic models to examine in-lake and downstream water temperature effects under future climate conditions. Current and hypothetical operations and structures at Detroit Dam were imposed on boundary conditions derived from downscaled General Circulation Models in base (1990–1999) and future (2059–2068) periods. Compared with the base period, future air temperatures were about 2 °C warmer year-round. Higher air temperature and lower precipitation under the future period resulted in a 23% reduction in mean annual PRMS-simulated discharge and a 1 °C increase in mean annual estimated stream temperatures flowing into the lake compared to the base period. Simulations incorporating current operational rules and minimum release rates at Detroit Dam to support downstream habitat, irrigation, and water supply during key times of year resulted in lower future lake levels. That scenario results in a lake level that is above the dam’s spillway crest only about half as many days in the future compared to historical frequencies. Managing temperature downstream of Detroit Dam depends on the ability to blend warmer water from the lake’s surface with cooler water from deep in the lake, and the spillway is an important release point near the lake’s surface. Annual average in-lake and release temperatures from Detroit Lake warmed 1.1 °C and 1.5 °C from base to future periods under present-day dam operational rules and fill schedules. Simulated dam operations such as beginning refill of the lake 30 days earlier or reducing minimum release rates (to keep more water in the lake to retain the use of the spillway) mitigated future warming to 0.4 and 0.9 °C below existing operational scenarios during the critical autumn spawning period for endangered

  18. Simulating future water temperatures in the North Santiam River, Oregon

    Science.gov (United States)

    Buccola, Norman L.; Risley, John C.; Rounds, Stewart A.

    2016-04-01

    A previously calibrated two-dimensional hydrodynamic and water-quality model (CE-QUAL-W2) of Detroit Lake in western Oregon was used in conjunction with inflows derived from Precipitation-Runoff Modeling System (PRMS) hydrologic models to examine in-lake and downstream water temperature effects under future climate conditions. Current and hypothetical operations and structures at Detroit Dam were imposed on boundary conditions derived from downscaled General Circulation Models in base (1990-1999) and future (2059-2068) periods. Compared with the base period, future air temperatures were about 2 °C warmer year-round. Higher air temperature and lower precipitation under the future period resulted in a 23% reduction in mean annual PRMS-simulated discharge and a 1 °C increase in mean annual estimated stream temperatures flowing into the lake compared to the base period. Simulations incorporating current operational rules and minimum release rates at Detroit Dam to support downstream habitat, irrigation, and water supply during key times of year resulted in lower future lake levels. That scenario results in a lake level that is above the dam's spillway crest only about half as many days in the future compared to historical frequencies. Managing temperature downstream of Detroit Dam depends on the ability to blend warmer water from the lake's surface with cooler water from deep in the lake, and the spillway is an important release point near the lake's surface. Annual average in-lake and release temperatures from Detroit Lake warmed 1.1 °C and 1.5 °C from base to future periods under present-day dam operational rules and fill schedules. Simulated dam operations such as beginning refill of the lake 30 days earlier or reducing minimum release rates (to keep more water in the lake to retain the use of the spillway) mitigated future warming to 0.4 and 0.9 °C below existing operational scenarios during the critical autumn spawning period for endangered salmonids. A

  19. Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations.

    Science.gov (United States)

    Qvist, Johan; Schober, Helmut; Halle, Bertil

    2011-04-14

    One of the outstanding challenges presented by liquid water is to understand how molecules can move on a picosecond time scale despite being incorporated in a three-dimensional network of relatively strong H-bonds. This challenge is exacerbated in the supercooled state, where the dramatic slowing down of structural dynamics is reminiscent of the, equally poorly understood, generic behavior of liquids near the glass transition temperature. By probing single-molecule dynamics on a wide range of time and length scales, quasielastic neutron scattering (QENS) can potentially reveal the mechanistic details of water's structural dynamics, but because of interpretational ambiguities this potential has not been fully realized. To resolve these issues, we present here an extensive set of high-quality QENS data from water in the range 253-293 K and a corresponding set of molecular dynamics (MD) simulations to facilitate and validate the interpretation. Using a model-free approach, we analyze the QENS data in terms of two motional components. Based on the dynamical clustering observed in MD trajectories, we identify these components with two distinct types of structural dynamics: picosecond local (L) structural fluctuations within dynamical basins and slower interbasin jumps (J). The Q-dependence of the dominant QENS component, associated with J dynamics, can be quantitatively rationalized with a continuous-time random walk (CTRW) model with an apparent jump length that depends on low-order moments of the jump length and waiting time distributions. Using a simple coarse-graining algorithm to quantitatively identify dynamical basins, we map the newtonian MD trajectory on a CTRW trajectory, from which the jump length and waiting time distributions are computed. The jump length distribution is gaussian and the rms jump length increases from 1.5 to 1.9 Å as the temperature increases from 253 to 293 K. The rms basin radius increases from 0.71 to 0.75 Å over the same range. The

  20. Temperature/pressure and water vapor sounding with microwave spectroscopy

    Science.gov (United States)

    Muhleman, D. O.; Janssen, M. A.; Clancy, R. T.; Gulkis, S.; Mccleese, D. J.; Zurek, R.; Haberle, R. M.; Frerking, M.

    1992-01-01

    Two intense microwave spectra lines exist in the martian atmosphere that allow unique sounding capabilities: water vapor at 183 GHz and the (2-1) rotational line of CO at 230 GHz. Microwave spectra line sounding is a well-developed technique for the Earth's atmosphere for sounding from above from spacecraft and airplanes, and from below from fixed surface sites. Two simple instruments for temperature sounding on Mars (the CO line) and water vapor measurements are described. The surface sounder proposed for the MESUR sites is designed to study the boundary layer water vapor distribution and the temperature/pressure profiles with vertical resolution of 0.25 km up to 1 km with reduced resolution above approaching a scale height. The water channel will be sensitive to a few tenths of a micrometer of water and the temperature profile will be retrieved to an accuracy between 1 and 2 K. The latter is routinely done on the Earth using oxygen lines near 60 GHz. The measurements are done with a single-channel heterodyne receiver looking into a 10-cm mirror that is canned through a range of elevation angles plus a target load. The frequency of the receiver is sweep across the water and CO lines generating the two spectra at about 1-hr intervals throughout the mission. The mass and power for the proposed instrument are 2 kg and 5-8 W continuously. The measurements are completely immune to the atmospheric dust and ice particle loads. It was felt that these measurements are the ultimate ones to properly study the martian boundary layer from the surface to a few kilometers. Sounding from above requires an orbiting spacecraft with multichannel microwave spectrometers such as the instrument proposed for MO by a subset of the authors, a putative MESUR orbiter, and a proposed Discovery mission called MOES. Such an instrument can be built with less than 10 kg and use less than 15 W. The obvious advantage of this approach is that the entire atmosphere can be sounded for temperature and

  1. Achieving low return temperature for domestic hot water preparation by ultra-low-temperature district heating

    DEFF Research Database (Denmark)

    Yang, Xiaochen; Svendsen, Svend

    2017-01-01

    District heating (DH) is a cost-effective method of heat supply, especially to area with high heat density. Ultra-low-temperature district heating (ULTDH) is defined with supply temperature at 35-45 degrees C. It aims at making utmost use of the available low-temperature energy sources. In order...... to achieve high efficiency of the ULTDH system, the return temperature should be as low as possible. For the energy-efficient buildings in the future, it is feasible to use ULTDH to cover the space heating demand. However, considering the comfort and hygiene requirements of domestic hot water (DHW...... lower return temperature and higher efficiency for DHW supply, an innovative substation was devised, which replaced the bypass with an instantaneous heat exchanger and a micro electric storage tank. The energy performance of the proposed substation and the resulting benefits for the DH system...

  2. Modelling flow dynamics in water distribution networks using ...

    African Journals Online (AJOL)

    One such approach is the Artificial Neural Networks (ANNs) technique. The advantage of ANNs is that they are robust and can be used to model complex linear and non-linear systems without making implicit assumptions. ANNs can be trained to forecast flow dynamics in a water distribution network. Such flow dynamics ...

  3. Warmed Winter Water Temperatures Alter Reproduction in Two Fish Species.

    Science.gov (United States)

    Firkus, Tyler; Rahel, Frank J; Bergman, Harold L; Cherrington, Brian D

    2018-02-01

    We examined the spawning success of Fathead Minnows (Pimephales promelas) and Johnny Darters (Etheostoma nigrum) exposed to elevated winter water temperatures typical of streams characterized by anthropogenic thermal inputs. When Fathead Minnows were exposed to temperature treatments of 12, 16, or 20 °C during the winter, spawning occurred at 16 and 20 °C but not 12 °C. Eggs were deposited over 9 weeks before winter spawning ceased. Fathead Minnows from the three winter temperature treatments were then exposed to a simulated spring transition. Spawning occurred at all three temperature treatments during the spring, but fish from the 16° and 20 °C treatment had delayed egg production indicating a latent effect of warm winter temperatures on spring spawning. mRNA analysis of the egg yolk protein vitellogenin showed elevated expression in female Fathead Minnows at 16 and 20 °C during winter spawning that decreased after winter spawning ceased, whereas Fathead Minnows at 12 °C maintained comparatively low expression during winter. Johnny Darters were exposed to 4 °C to represent winter temperatures in the absence of thermal inputs, and 12, 16, and 20 °C to represent varying degrees of winter thermal pollution. Johnny Darters spawned during winter at 12, 16, and 20 °C but not at 4 °C. Johnny Darters at 4 °C subsequently spawned following a simulated spring period while those at 12, 16, and 20 °C did not. Our results indicate elevated winter water temperatures common in effluent-dominated streams can promote out-of-season spawning and that vitellogenin expression is a useful indicator of spawning readiness for fish exposed to elevated winter temperatures.

  4. Warmed Winter Water Temperatures Alter Reproduction in Two Fish Species

    Science.gov (United States)

    Firkus, Tyler; Rahel, Frank J.; Bergman, Harold L.; Cherrington, Brian D.

    2018-02-01

    We examined the spawning success of Fathead Minnows ( Pimephales promelas) and Johnny Darters ( Etheostoma nigrum) exposed to elevated winter water temperatures typical of streams characterized by anthropogenic thermal inputs. When Fathead Minnows were exposed to temperature treatments of 12, 16, or 20 °C during the winter, spawning occurred at 16 and 20 °C but not 12 °C. Eggs were deposited over 9 weeks before winter spawning ceased. Fathead Minnows from the three winter temperature treatments were then exposed to a simulated spring transition. Spawning occurred at all three temperature treatments during the spring, but fish from the 16° and 20 °C treatment had delayed egg production indicating a latent effect of warm winter temperatures on spring spawning. mRNA analysis of the egg yolk protein vitellogenin showed elevated expression in female Fathead Minnows at 16 and 20 °C during winter spawning that decreased after winter spawning ceased, whereas Fathead Minnows at 12 °C maintained comparatively low expression during winter. Johnny Darters were exposed to 4 °C to represent winter temperatures in the absence of thermal inputs, and 12, 16, and 20 °C to represent varying degrees of winter thermal pollution. Johnny Darters spawned during winter at 12, 16, and 20 °C but not at 4 °C. Johnny Darters at 4 °C subsequently spawned following a simulated spring period while those at 12, 16, and 20 °C did not. Our results indicate elevated winter water temperatures common in effluent-dominated streams can promote out-of-season spawning and that vitellogenin expression is a useful indicator of spawning readiness for fish exposed to elevated winter temperatures.

  5. Protein Dynamics in Organic Media at Varying Water Activity Studied by Molecular Dynamics Simulation

    DEFF Research Database (Denmark)

    Wedberg, Nils Hejle Rasmus Ingemar; Abildskov, Jens; Peters, Günther H.J.

    2012-01-01

    In nonaqueous enzymology, control of enzyme hydration is commonly approached by fixing the thermodynamic water activity of the medium. In this work, we present a strategy for evaluating the water activity in molecular dynamics simulations of proteins in water/organic solvent mixtures. The method...... relies on determining the water content of the bulk phase and uses a combination of Kirkwood−Buff theory and free energy calculations to determine corresponding activity coefficients. We apply the method in a molecular dynamics study of Candida antarctica lipase B in pure water and the organic solvents...

  6. Temperature and current data collected as part of the CLIvar MOde Water Dynamic Experiment (CLIMODE) mooring data from 2005-11 to 2007-11 in the North Atlantic, south-east of the Gulf Stream (NCEI Accession 0127259)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Two years of temperature, salinity, current, and nutrient data were collected on four subsurface moorings as part of a two-year field component of the CLIMODE...

  7. Dynamic modeling of a three-stage low-temperature ethanol reformer for fuel cell application

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, Vanesa M; Serra, Maria [Institut de Robotica i Informatica Industrial (CSIC-UPC), Llorens i Artigas 4-6, 08028 Barcelona (Spain); Lopez, Eduardo; Llorca, Jordi [Institut de Tecniques Energetiques, Universitat Politecnica de Catalunya, Diagonal 647, ed. ETSEIB, 08028 Barcelona (Spain)

    2009-07-01

    A low-temperature ethanol reformer based on a cobalt catalyst for the production of hydrogen has been designed aiming the feed of a fuel cell for an autonomous low-scale power production unit. The reformer comprises three stages: ethanol dehydrogenation to acetaldehyde and hydrogen over SnO{sub 2} followed by acetaldehyde steam reforming over Co(Fe)/ZnO catalyst and water gas shift reaction. Kinetic data have been obtained under different experimental conditions and a dynamic model has been developed for a tubular reformer loaded with catalytic monoliths for the production of the hydrogen required to feed a 1 kW PEMFC. (author)

  8. Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane

    International Nuclear Information System (INIS)

    Liu, Jian; Zhang, Zhijun

    2016-01-01

    Path integral Liouville dynamics (PILD) is applied to vibrational dynamics of several simple but representative realistic molecular systems (OH, water, ammonia, and methane). The dipole-derivative autocorrelation function is employed to obtain the infrared spectrum as a function of temperature and isotopic substitution. Comparison to the exact vibrational frequency shows that PILD produces a reasonably accurate peak position with a relatively small full width at half maximum. PILD offers a potentially useful trajectory-based quantum dynamics approach to compute vibrational spectra of molecular systems

  9. Multi-scale experimental and numerical study of the structure and the dynamics of water confined in clay minerals

    International Nuclear Information System (INIS)

    Guillaud, Emmanuel Bertrand

    2017-01-01

    Clay are complex minerals with a multi-scale porosity and a remarkable ability to swell under humid atmosphere. These materials have many applications in catalysis, waste management, construction industry... However, the properties of confined water are still not fully understood, due in particular to the complexity of water itself. The aim of this work is, using mainly molecular simulations and vibrational spectroscopy, to understand the structure and the dynamics of water confined in clay minerals. To evaluate the accuracy of numerical models to describe water confined in clay minerals, and to understand the origin of its structural and dynamical properties, a large part of the work was devoted to the building blocks of clays: pure bulk water, water at the surface of a solid, and salt water. To this extent, the viscoelastic properties of water from the deeply supercooled regime to the boiling temperature were investigated using classical molecular dynamics. The evolution of the friction properties of water on a prototypical solid surface was also analyzed, and the accuracy of ab initio approaches and empirical salt models was studied. In a second part, those results were confronted to the properties of water confined in clay minerals at low and room temperature, studied both experimentally and numerically. Experimental work consisted mostly in extensive far- and -mid infrared absorption spectrometry measurements, whereas numerical work mainly consisted in empirical molecular dynamics simulations. Especially, the existence of confinement- or temperature-induced phase transitions of confined water was investigated. (author)

  10. A dynamic gravimetric standard for trace water.

    Science.gov (United States)

    Brewer, P J; Goody, B A; Woods, P T; Milton, M J T

    2011-10-01

    A system for generating traceable reference standards of water vapor at trace levels between 5 and 2000 nmol/mol has been developed. It can provide different amount fractions of trace water vapor by using continuous accurate measurements of mass loss from a permeation device coupled with a dilution system based on an array of critical flow orifices. An estimated relative expanded uncertainty of ±2% has been achieved for most amount fractions generated. The system has been used in an international comparison and demonstrates excellent comparability with National Metrology Institutes maintaining standards of water vapor in this range using other methods.

  11. Evaluating Water Conservation and Reuse Policies Using a Dynamic Water Balance Model

    Science.gov (United States)

    Qaiser, Kamal; Ahmad, Sajjad; Johnson, Walter; Batista, Jacimaria R.

    2013-02-01

    A dynamic water balance model is created to examine the effects of different water conservation policies and recycled water use on water demand and supply in a region faced with water shortages and significant population growth, the Las Vegas Valley (LVV). The model, developed using system dynamics approach, includes an unusual component of the water system, return flow credits, where credits are accrued for returning treated wastewater to the water supply source. In LVV, Lake Mead serves as, both the drinking water source and the receiving body for treated wastewater. LVV has a consumptive use allocation from Lake Mead but return flow credits allow the water agency to pull out additional water equal to the amount returned as treated wastewater. This backdrop results in a scenario in which conservation may cause a decline in the available water supply. Current water use in LVV is 945 lpcd (250 gpcd), which the water agency aims to reduce to 752 lpcd (199 gpcd) by 2035, mainly through water conservation. Different conservation policies focused on indoor and outdoor water use, along with different population growth scenarios, are modeled for their effects on the water demand and supply. Major contribution of this study is in highlighting the importance of outdoor water conservation and the effectiveness of reducing population growth rate in addressing the future water shortages. The water agency target to decrease consumption, if met completely through outdoor conservation, coupled with lower population growth rate, can potentially satisfy the Valley's water demands through 2035.

  12. Potential Impacts of Climate Change on Stream Water Temperatures Across the United States

    Science.gov (United States)

    Ehsani, N.; Knouft, J.; Ficklin, D. L.

    2017-12-01

    Analyses of long-term observation data have revealed significant changes in several components of climate and the hydrological cycle over the contiguous United States during the twentieth and early twenty-first century. Mean surface air temperatures have significantly increased in most areas of the country. In addition, water temperatures are increasing in many watersheds across the United States. While there are numerous studies assessing the impact of climate change on air temperatures at regional and global scales, fewer studies have investigated the impacts of climate change on stream water temperatures. Projecting increases in water temperature are particularly important to the conservation of freshwater ecosystems. To achieve better insights into attributes regulating population and community dynamics of aquatic biota at large spatial and temporal scales, we need to establish relationships between environmental heterogeneity and critical biological processes of stream ecosystems at these scales. Increases in stream temperatures caused by the doubling of atmospheric carbon dioxide may result in a significant loss of fish habitat in the United States. Utilization of physically based hydrological-water temperature models is computationally demanding and can be onerous to many researchers who specialize in other disciplines. Using statistical techniques to analyze observational data from 1760 USGS stream temperature gages, our goal is to develop a simple yet accurate method to quantify the impacts of climate warming on stream water temperatures in a way that is practical for aquatic biologists, water and environmental management purposes, and conservation practitioners and policy-makers. Using an ensemble of five global climate models (GCMs), we estimate the potential impacts of climate change on stream temperatures within the contiguous United States based on recent trends. Stream temperatures are projected to increase across the US, but the magnitude of the

  13. Constant pressure and temperature discrete-time Langevin molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Grønbech-Jensen, Niels [Department of Mechanical and Aerospace Engineering, University of California, Davis, California 95616 (United States); Department of Mathematics, University of California, Davis, California 95616 (United States); Farago, Oded [Department of Biomedical Engineering, Ben Gurion University of the Negev, Be' er Sheva 84105 (Israel); Ilse Katz Institute for Nanoscale Science and Technology, Ben Gurion University of the Negev, Be' er Sheva 84105 (Israel)

    2014-11-21

    We present a new and improved method for simultaneous control of temperature and pressure in molecular dynamics simulations with periodic boundary conditions. The thermostat-barostat equations are built on our previously developed stochastic thermostat, which has been shown to provide correct statistical configurational sampling for any time step that yields stable trajectories. Here, we extend the method and develop a set of discrete-time equations of motion for both particle dynamics and system volume in order to seek pressure control that is insensitive to the choice of the numerical time step. The resulting method is simple, practical, and efficient. The method is demonstrated through direct numerical simulations of two characteristic model systems—a one-dimensional particle chain for which exact statistical results can be obtained and used as benchmarks, and a three-dimensional system of Lennard-Jones interacting particles simulated in both solid and liquid phases. The results, which are compared against the method of Kolb and Dünweg [J. Chem. Phys. 111, 4453 (1999)], show that the new method behaves according to the objective, namely that acquired statistical averages and fluctuations of configurational measures are accurate and robust against the chosen time step applied to the simulation.

  14. Improved scaling of temperature-accelerated dynamics using localization

    Energy Technology Data Exchange (ETDEWEB)

    Shim, Yunsic; Amar, Jacques G. [Department of Physics and Astronomy, University of Toledo, Toledo, Ohio 43606 (United States)

    2016-07-07

    While temperature-accelerated dynamics (TAD) is a powerful method for carrying out non-equilibrium simulations of systems over extended time scales, the computational cost of serial TAD increases approximately as N{sup 3} where N is the number of atoms. In addition, although a parallel TAD method based on domain decomposition [Y. Shim et al., Phys. Rev. B 76, 205439 (2007)] has been shown to provide significantly improved scaling, the dynamics in such an approach is only approximate while the size of activated events is limited by the spatial decomposition size. Accordingly, it is of interest to develop methods to improve the scaling of serial TAD. As a first step in understanding the factors which determine the scaling behavior, we first present results for the overall scaling of serial TAD and its components, which were obtained from simulations of Ag/Ag(100) growth and Ag/Ag(100) annealing, and compare with theoretical predictions. We then discuss two methods based on localization which may be used to address two of the primary “bottlenecks” to the scaling of serial TAD with system size. By implementing both of these methods, we find that for intermediate system-sizes, the scaling is improved by almost a factor of N{sup 1/2}. Some additional possible methods to improve the scaling of TAD are also discussed.

  15. Design of dynamic loading support on high temperature pipe

    International Nuclear Information System (INIS)

    Sitandung, Y.B.; Bandriyana, B.

    2002-01-01

    As a follow up to pipe stress analysis result caused by high temperature operation loading, a design of dynamic loading support was made. The type of variable and constant support as acceptable choosing are applicated for reduce of over stress and over load on piping system. Analysis line schedule of AP600 as an example with apply three dynamic loading support (two type variable and one type constant support). The pre-design of the third support above are based on analysis result with follow the support catalog and field condition wherein its supports are installed. To guarantee the performance and accurate of the support, checking is performed for spring working rate tolerance, support variability and swing angle. The design results of variable spring are loads, size, working rate, type tolerance, spring rate, variability, long and sway angle with each values 5000; 15; 1,25; VM; 0.655; 1080; 0.114; 114,5; 0,48 for S1 and 2045; 12; 0,583; VS; 0,237; 900; 0,132; 130; 0,34 for S3

  16. Dynamical renormalization group resummation of finite temperature infrared divergences

    International Nuclear Information System (INIS)

    Boyanovsky, D.; Vega, H.J. de; Boyanovsky, D.; Simionato, M.; Holman, R.; Simionato, M.

    1999-01-01

    We introduce the method of dynamical renormalization group to study relaxation and damping out of equilibrium directly in real time and apply it to the study of infrared divergences in scalar QED. This method allows a consistent resummation of infrared effects associated with the exchange of quasistatic transverse photons and leads to anomalous logarithmic relaxation of the form e -αampersandhthinsp;Tampersandhthinsp;tampersandhthinsp;ln[t/t 0 ] for hard momentum charged excitations. This is in contrast with the usual quasiparticle interpretation of charged collective excitations at finite temperature in the sense of exponential relaxation of a narrow width resonance for which the width is the imaginary part of the self-energy on shell. In the case of narrow resonances away from thresholds, this approach leads to the usual exponential relaxation. The hard thermal loop resummation program is incorporated consistently into the dynamical renormalization group yielding a picture of relaxation and damping phenomena in a plasma in real time that transcends the conceptual limitations of the quasiparticle picture and other types of resummation schemes. copyright 1999 The American Physical Society

  17. Improved scaling of temperature-accelerated dynamics using localization

    International Nuclear Information System (INIS)

    Shim, Yunsic; Amar, Jacques G.

    2016-01-01

    While temperature-accelerated dynamics (TAD) is a powerful method for carrying out non-equilibrium simulations of systems over extended time scales, the computational cost of serial TAD increases approximately as N 3 where N is the number of atoms. In addition, although a parallel TAD method based on domain decomposition [Y. Shim et al., Phys. Rev. B 76, 205439 (2007)] has been shown to provide significantly improved scaling, the dynamics in such an approach is only approximate while the size of activated events is limited by the spatial decomposition size. Accordingly, it is of interest to develop methods to improve the scaling of serial TAD. As a first step in understanding the factors which determine the scaling behavior, we first present results for the overall scaling of serial TAD and its components, which were obtained from simulations of Ag/Ag(100) growth and Ag/Ag(100) annealing, and compare with theoretical predictions. We then discuss two methods based on localization which may be used to address two of the primary “bottlenecks” to the scaling of serial TAD with system size. By implementing both of these methods, we find that for intermediate system-sizes, the scaling is improved by almost a factor of N 1/2 . Some additional possible methods to improve the scaling of TAD are also discussed.

  18. Feasibility of active solar water heating systems with evacuated tube collector at different operational water temperatures

    International Nuclear Information System (INIS)

    Mazarrón, Fernando R.; Porras-Prieto, Carlos Javier; García, José Luis; Benavente, Rosa María

    2016-01-01

    Highlights: • Analysis of the feasibility of an active solar water-heating system. • Profitability decreases as the required water temperature increases. • The number of collectors that maximizes profitability depends on the required temperature. • Investment in a properly sized system generates savings between 23% and 15%. • Fuel consumption can be reduced by 70%. - Abstract: With rapid advancements in society, higher water temperatures are needed in a number of applications. The demand for hot water presents a great variability with water required at different temperatures. In this study, the design, installation, and evaluation of a solar water heating system with evacuated tube collector and active circulation has been carried out. The main objective is to analyze how the required tank water temperature affects the useful energy that the system is capable of delivering, and consequently its profitability. The results show how the energy that is collected and delivered to the tank decreases with increasing the required temperature due to a lower performance of the collector and losses in the pipes. The annual system efficiency reaches average values of 66%, 64%, 61%, 56%, and 55% for required temperatures of 40 °C, 50 °C, 60 °C, 70 °C, and 80 °C. As a result, profitability decreases as temperature increases. The useful energy, and therefore the profitability, will decrease if the demand is not distributed throughout the day or focused on the end of the day. The system’s profitability was determined in two cases: considering maximum profitability of the system, assuming 100% utilization of useful energy (scenario 1); assuming a particular demand, considering that on many days all the useful energy the system can supply is not used (scenario 2). The analysis shows that through proper sizing of the system, optimizing the number of solar collectors, the investment in the solar system can be profitable with similar profitability values in the two

  19. Temperature dependence on sodium-water chemical reaction

    International Nuclear Information System (INIS)

    Tamura, Kenta; Deguchi, Yoshihiro; Suzuki, Koichi; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

    2012-01-01

    In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using laser diagnostics. A quasi one-dimensional flame model is also applied to a sodium-water counter-flow reaction field. Temperature, H 2 , H 2 O, OH, Na and Particulate matter were measured using laser induced fluorescence and CARS in the counter-flow reaction field. The temperature of the reaction field was also modified to reduce the condensation of Na in the reaction zone. (author)

  20. Effects of temperature and salinity on light scattering by water

    Science.gov (United States)

    Zhang, Xiaodong; Hu, Lianbo

    2010-04-01

    A theoretical model on light scattering by water was developed from the thermodynamic principles and was used to evaluate the effects of temperature and salinity. The results agreed with the measurements by Morel within 1%. The scattering increases with salinity in a non-linear manner and the empirical linear model underestimate the scattering by seawater for S < 40 psu. Seawater also exhibits an 'anomalous' scattering behavior with a minimum occurring at 24.64 °C for pure water and this minimum increases with the salinity, reaching 27.49 °C at 40 psu.

  1. Grey water treatment in UASB reactor at ambient temperature.

    Science.gov (United States)

    Elmitwalli, T A; Shalabi, M; Wendland, C; Otterpohl, R

    2007-01-01

    In this paper, the feasibility of grey water treatment in a UASB reactor was investigated. The batch recirculation experiments showed that a maximum total-COD removal of 79% can be obtained in grey-water treatment in the UASB reactor. The continuous operational results of a UASB reactor treating grey water at different hydraulic retention time (HRT) of 20, 12 and 8 hours at ambient temperature (14-24 degrees C) showed that 31-41% of total COD was removed. These results were significantly higher than that achieved by a septic tank (11-14%), the most common system for grey water pre-treatment, at HRT of 2-3 days. The relatively lower removal of total COD in the UASB reactor was mainly due to a higher amount of colloidal COD in the grey water, as compared to that reported in domestic wastewater. The grey water had a limited amount of nitrogen, which was mainly in particulate form (80-90%). The UASB reactor removed 24-36% and 10-24% of total nitrogen and total phosphorus, respectively, in the grey water, due to particulate nutrients removal by physical entrapment and sedimentation. The sludge characteristics of the UASB reactor showed that the system had stable performance and the recommended HRT for the reactor is 12 hours.

  2. The effect of water temperature and water hardness on reproductive indicators Hemichromis lifalili

    Directory of Open Access Journals (Sweden)

    Ján Kopecký

    2014-05-01

    Full Text Available In this work we investigated the effect of temperature and water hardness on reproductive indicators Hemichromis lifalili in aquarium conditions. From bred individuals we have compiled three breeding pairs, which we placed in aquariums with different temperature and water hardness. In experimental pairs, we evaluated these reproductive variables: number of spawning eggs, the number of hatched, dead and bred individuals. Experiments showed that 28 °C, and 8 °N water hardness increased the reproductive activity of fish and the quantity of fish hatched. Decreasing temperature in the tanks was proportionally increased the number of unhatched individuals, and the mortality. The mortality was 88 pieces per swab at 25 °C. Water at 28 °C and 8 °N hardness was reached swab to 1200 eggs pieces.

  3. Estimation of precipitable water from surface dew point temperature

    International Nuclear Information System (INIS)

    Abdel Wahab, M.; Sharif, T.A.

    1991-09-01

    The Reitan (1963) regression equation which is of the form lnw=a+bT d has been examined and tested to estimate precipitable water content from surface dew point temperature at different locations. The study confirms that the slope of this equation (b) remains constant at the value of .0681 deg. C., while the intercept (a) changes rapidly with the latitude. The use of the variable intercept can improve the estimated result by 2%. (author). 6 refs, 4 figs, 3 tabs

  4. Solubility of corrosion products in high temperature water

    International Nuclear Information System (INIS)

    Srinivasan, M.P.; Narasimhan, S.V.

    1995-01-01

    A short review of solubility of corrosion products at high temperature in either neutral or alkaline water as encountered in BWR, PHWR and PWR primary coolant reactor circuits is presented in this report. Based on the available literature, various experimental techniques involved in the study of the solubility, theory for fitting the solubility data to the thermodynamic model and discussion of the published results with a scope for future work have been brought out. (author). 17 refs., 7 figs

  5. Temperature effect on water absorption in an improved periwinkle ...

    African Journals Online (AJOL)

    Studies have been carried out on the water absorption of the improved periwinkle reinforced cement stabilized lateritic bricks. These bricks were produced at different cement to laterite to periwinkle ratio of 1:3:1, 2:3:1, 3:3:1, 3:2:1, 3:1:1, and fired at an elevated temperature of 10000C and 11500C, respectively. From the ...

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

    Science.gov (United States)

    Chen, Sow-Hsin; Baglioni, Piero

    2012-02-01

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

  7. Climate change impacts on the temperature of recharge water in a temporate climate

    Science.gov (United States)

    Murdock, E. A.

    2015-12-01

    Groundwater outflows into headwater streams play an important role in controlling local stream temperature and maintaining habitat for cool and cold water fisheries. Because of the ecological and economic importance of these fisheries, there is significant concern about the impacts of climate change on these habitats. Many studies of stream temperature changes under climate change assume that groundwater outflows will vary with long-term mean air temperature, perhaps with a temporal lag to account for the relatively slow rate of heat diffusion through soils. This assumption, however, ignores the fact that climate change will also impact the temporal patterns of recharge in some regions. In Southern Wisconsin, much of the annual recharge comes from the spring snowmelt event, as a large amount of meltwater is released onto saturated soils with little to no active transpiration. Using the Simultaneous Heat and Water (SHAW) model populated with climate date from the North American Regional Climate Change Assessment Program (NARCCAP), we show that the temperature of water passing below the rooting zone in a simulated corn planting in Southern Wisconsin will change significantly less than the air temperature by midcentury. This finding highlights the importance of understanding the variability of heat flow mechanisms in the subsurface while assessing climate change impacts on surface water resources. In landscapes such as Wisconsin's driftless area, where deep aquifers feed numerous localized headwater streams, meltwater-driven recharge may provide a buffer against rising air temperatures for some time into the future. Fully understanding this dynamic will allow for targeted conservation efforts in those streams that are likely to show higher than average resilience to rising temperatures, but which remain vulnerable to development, stormwater runoff, agricultural pollution and other ecological threats. In a world with dwindling coldwater resources, identifying and

  8. Dynamical Symmetry Breaking of Maximally Generalized Yang-Mills Model and Its Restoration at Finite Temperatures

    International Nuclear Information System (INIS)

    Wang Dianfu

    2008-01-01

    In terms of the Nambu-Jona-Lasinio mechanism, dynamical breaking of gauge symmetry for the maximally generalized Yang-Mills model is investigated. The gauge symmetry behavior at finite temperature is also investigated and it is shown that the gauge symmetry broken dynamically at zero temperature can be restored at finite temperatures

  9. Corrosion behaviour of construction materials for high temperature water electrolysers

    Energy Technology Data Exchange (ETDEWEB)

    Nikiforov, A.; Petruchina, I.; Christensen, E.; Bjerrum, N.J.; Tomas-Garcya, A.L. [Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Chemistry, Materials Science Group

    2010-07-01

    This presentation reported on a study in which the feasibility of using different corrosion resistant stainless steels as a possible metallic bipolar plate and construction material was evaluated in terms of corrosion resistance under conditions corresponding to the conditions in high temperature proton exchange membrane (PEM) water electrolysers (HTPEMWE). PEM water electrolysis technology has been touted as an effective alternative to more conventional alkaline water electrolysis. Although the energy efficiency of this technology can be increased considerably at temperatures above 100 degrees C, this increases the demands to all the used materials with respect to corrosion stability and thermal stability. In this study, Ni-based alloys as well as titanium and tantalum samples were exposed to anodic polarization in 85 per cent phosphoric acid electrolyte solution. Tests were performed at 80 and 120 degrees C to determine the dependence of corrosion speed and working temperature. Platinum and gold plates were also tested for a comparative evaluation. Steady-state voltammetry was used along with scanning electron microscopy and energy-dispersive X-ray spectroscopy. Titanium showed the poorest corrosion resistance, while Ni-based alloys showed the highest corrosion resistance, with Inconel R 625 being the most promising alloy for the bipolar plate of an HTPEMWE. 3 refs., 1 tab., 2 figs.

  10. Whole body immersion and hydromineral homeostasis: effect of water temperature.

    Science.gov (United States)

    Jimenez, Chantal; Regnard, Jacques; Robinet, Claude; Mourot, Laurent; Gomez-Merino, Danielle; Chennaoui, Mounir; Jammes, Yves; Dumoulin, Gilles; Desruelle, Anne-Virginie; Melin, Bruno

    2010-01-01

    This experiment was designed to assess the effects of prolonged whole body immersion (WBI) in thermoneutral and cold conditions on plasma volume and hydromineral homeostasis.10 navy "combat swimmers" performed three static 6-h immersions at 34 degrees C (T34), 18 degrees C (T18) and 10 degrees C (T10). Rectal temperature, plasma volume (PV) changes, plasma proteins, plasma and urine ions, plasma osmolality, renin, aldosterone and antidiuretic hormone (ADH) were measured. Results show that compared to pre-immersion levels, PV decreased throughout WBI sessions, the changes being markedly accentuated in cold conditions. At the end of WBI, maximal PV variations were -6.9% at T34, -14.3% at T18, and -16.3% at T10. Plasma osmolality did not change during and after T34 immersion, while hyperosmolality was present at the end of T18 immersion and began after only 1 h of T10 immersion. In the three temperature conditions, significant losses of water (1.6-1.7 l) and salt (6-8 g) occurred and were associated with similar increases in osmolar and free water clearances. Furthermore, T18 and T10 immersions increased the glomerular filtration rate. There was little or no change in plasma renin and ADH, while the plasma level of aldosterone decreased equally in the three temperature conditions. In conclusion, our data indicate that cold water hastened PV changes induced by immersion, and increased the glomerular filtration rate, causing larger accumulated water losses. The iso-osmotic hypovolemia may impede the resumption of baseline fluid balance. Results are very similar to those repeatedly described by various authors during head-out water immersion.

  11. Dynamics of confined reactive water in smectite clay-zeolite composites.

    Science.gov (United States)

    Pitman, Michael C; van Duin, Adri C T

    2012-02-15

    The dynamics of water confined to mesoporous regions in minerals such as swelling clays and zeolites is fundamental to a wide range of resource management issues impacting many processes on a global scale, including radioactive waste containment, desalination, and enhanced oil recovery. Large-scale atomic models of freely diffusing multilayer smectite particles at low hydration confined in a silicalite cage are used to investigate water dynamics in the composite environment with the ReaxFF reactive force field over a temperature range of 300-647 K. The reactive capability of the force field enabled a range of relevant surface chemistry to emerge, including acid/base equilibria in the interlayer calcium hydrates and silanol formation on the edges of the clay and inner surface of the zeolite housing. After annealing, the resulting clay models exhibit both mono- and bilayer hydration structures. Clay surface hydration redistributed markedly and yielded to silicalite water loading. We find that the absolute rates and temperature dependence of water dynamics compare well to neutron scattering data and pulse field gradient measures from relevant samples of Ca-montmorillonite and silicalite, respectively. Within an atomistic, reactive context, our results distinguish water dynamics in the interlayer Ca(OH)(2)·nH(2)O environment from water flowing over the clay surface, and from water diffusing within silicalite. We find that the diffusion of water when complexed to Ca hydrates is considerably slower than freely diffusing water over the clay surface, and the reduced mobility is well described by a difference in the Arrhenius pre-exponential factor rather than a change in activation energy.

  12. Water dynamics as affected by interaction with biomolecules and change of thermodynamic state: a neutron scattering study

    International Nuclear Information System (INIS)

    Orecchini, A; Paciaroni, A; Petrillo, C; Sebastiani, F; Sacchetti, F; De Francesco, A

    2012-01-01

    The dynamics of water as subtly perturbed by both the interaction with biomolecules and the variation of temperature and pressure has been investigated via neutron scattering spectroscopy. A measurement of inelastic neutron scattering devoted to the study of the coherent THz dynamics of water in a water-rich mixture with DNA (hydration level of 1 g DNA/15 g D 2 O) at room temperature is reported. The DNA hydration water coherent dynamics is characterised by the presence of collective modes, whose dispersion relations are similar to those observed in bulk water. These dispersion relations are well described by the interaction model developed in the case of bulk water, and the existence of a fast sound is experimentally demonstrated. The behaviour of the collective water dynamics was complemented by studying the single-particle dynamics of bulk water along the isotherm T = 298 K in the pressure range 0.1-350 MPa by means of incoherent scattering. This experiment is an attempt to simulate the change of the water molecular arrangement due to the interaction with DNA, by increasing the pressure as the presence of the biomolecule produces an increase in the density. An anomaly is found in the behaviour of the relaxation time derived from the quasi-elastic scattering signal, which can be related to the hypothetical second critical point in water. This anomaly and the transition from slow to fast sound take place in the same Q range, thus suggesting that the two phenomena could be related at some microscopic level.

  13. HEAT PUMP USING SUBSOIL WATERS AS LOW TEMPERATURE HEAT SOURCE

    Directory of Open Access Journals (Sweden)

    Denysova Alla

    2015-08-01

    Full Text Available One of the basic directions of perfection of heat supply systems is the tendency of transition to the low-temperature heating systems based on application of heat pump installations. We consider heat supply system with heat pump installations using subsoil waters. Numerical simulation of thermal processes in the elements of a single-stage and double-stage heat pump systems has been worked out. Values of depths of wells and their quantity, necessary for effective operation of the offered installations, and values of capacity of electric water pumps for subsoil waters unit are calculated. Capacity of compressor electric drive and coefficient of performance of heat pump for the conditions of the city of Odessa are presented.

  14. Dynamical heterogeneities of rotational motion in room temperature ionic liquids evidenced by molecular dynamics simulations

    Science.gov (United States)

    Usui, Kota; Hunger, Johannes; Bonn, Mischa; Sulpizi, Marialore

    2018-05-01

    Room temperature ionic liquids (RTILs) have been shown to exhibit spatial heterogeneity or structural heterogeneity in the sense that they form hydrophobic and ionic domains. Yet studies of the relationship between this structural heterogeneity and the ˜picosecond motion of the molecular constituents remain limited. In order to obtain insight into the time scales relevant to this structural heterogeneity, we perform molecular dynamics simulations of a series of RTILs. To investigate the relationship between the structures, i.e., the presence of hydrophobic and ionic domains, and the dynamics, we gradually increase the size of the hydrophobic part of the cation from ethylammonium nitrate (EAN), via propylammonium nitrate (PAN), to butylammonium nitrate (BAN). The two ends of the organic cation, namely, the charged Nhead-H group and the hydrophobic Ctail-H group, exhibit rotational dynamics on different time scales, evidencing dynamical heterogeneity. The dynamics of the Nhead-H group is slower because of the strong coulombic interaction with the nitrate counter-ionic anions, while the dynamics of the Ctail-H group is faster because of the weaker van der Waals interaction with the surrounding atoms. In particular, the rotation of the Nhead-H group slows down with increasing cationic chain length, while the rotation of the Ctail-H group shows little dependence on the cationic chain length, manifesting that the dynamical heterogeneity is enhanced with a longer cationic chain. The slowdown of the Nhead-H group with increasing cationic chain length is associated with a lower number of nitrate anions near the Nhead-H group, which presumably results in the increase of the energy barrier for the rotation. The sensitivity of the Nhead-H rotation to the number of surrounding nitrate anions, in conjunction with the varying number of nitrate anions, gives rise to a broad distribution of Nhead-H reorientation times. Our results suggest that the asymmetry of the cations and the

  15. Deuteron-NMR investigation on the dynamics of supercooled, confined water

    Energy Technology Data Exchange (ETDEWEB)

    Sattig, Matthias; Vogel, Michael [TU Darmstadt, Institut fuer Festkoerperphysik (Germany)

    2013-07-01

    The dynamical behaviour of water in the regime of the supercooled liquid is a topic of large interest. In particular, the existence of a fragile-to-strong transition (FST) at T=225K related to the transition between two distinct phases of liquid water is controversially discussed. Due to crystallization the temperature range proposed for the FST is hardly accessible in bulk water. Therefore, we confine heavy water to narrow pores in the mesoporous silicate MCM-41. This suppresses the freezing of a substantial fraction of water, enabling direct investigation of the interesting temperatures. Deuteron-NMR methods are utilised to determine the rotational correlation times τ of water on time scales from ns up to s. The spin-lattice-relaxation time T{sub 1} exhibits a typical minimum at about T = 230 K. Above this minimum the correlation times follow a Vogel-Fulcher-Tammann law. Below the minimum, two relaxation processes could be observed. The low-temperature processes show a different temperature dependence, where the curves τ(T) of all processes intersect at about T = 230 K. A comparison with literature data from neutron scattering and dielectric spectroscopy gives rise to the idea that the observed crossover is due to this intersection of processes rather than to a FST. To test this idea studies on water confined to MCM-41 with different pore sizes and fillings are in progress.

  16. Molecular Dynamics Simulations of Water Droplets On Hydrophilic Silica Surfaces

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Walther, Jens Honore; Jaffe, Richard L.

    2009-01-01

    and DNA microarrays technologies.Although extensive experimental, theoretical and computational work has been devoted to study the nature of the interaction between silica and water, at the molecular level a complete understanding of silica-water systems has not been reached. Contact angle computations...... dynamics (MD) simulations of a hydrophilic air-water-silica system using the MD package FASTTUBE. We employ quantum chemistry calculation to obtain air-silica interaction parameters for the simulations. Our simulations are based in the following force fields: i) The silica-silica interaction is based...... of water droplets on silica surfaces offers a useful fundamental and quantitative measurement in order to study chemical and physical properties of water-silica systems. For hydrophobic systems the static and dynamic properties of the fluid-solid interface are influenced by the presence of air. Hence...

  17. Water Dynamics in the Hydration Shells of Biomolecules

    Science.gov (United States)

    2017-01-01

    The structure and function of biomolecules are strongly influenced by their hydration shells. Structural fluctuations and molecular excitations of hydrating water molecules cover a broad range in space and time, from individual water molecules to larger pools and from femtosecond to microsecond time scales. Recent progress in theory and molecular dynamics simulations as well as in ultrafast vibrational spectroscopy has led to new and detailed insight into fluctuations of water structure, elementary water motions, electric fields at hydrated biointerfaces, and processes of vibrational relaxation and energy dissipation. Here, we review recent advances in both theory and experiment, focusing on hydrated DNA, proteins, and phospholipids, and compare dynamics in the hydration shells to bulk water. PMID:28248491

  18. High-frequency dynamics of liquid and supercritical water

    International Nuclear Information System (INIS)

    Bencivenga, F.; Cunsolo, A.; Krisch, M.; Monaco, G.; Sette, F.; Ruocco, G.

    2007-01-01

    The dynamic structure factor S(Q,ω) of water has been determined by high-resolution inelastic x-ray scattering (IXS) in a momentum (Q) and energy (E) transfer range extending from 2 to 4 nm -1 and from ±40 meV. IXS spectra have been recorded along an isobaric path (400 bar) in a temperature (T) interval ranging from ambient up to supercritical (T>647 K) conditions. The experimental data have been described in the frame of the generalized hydrodynamic theory, utilizing a model based on the memory function approach. This model allows identifying the active relaxation processes which affect the time decay of density fluctuations, as well as a direct determination of the Q, T, and density (ρ) dependencies of the involved transport parameters. The experimental spectra are well described by considering three different relaxation processes: the thermal, the structural, and the instantaneous one. On approaching supercritical conditions, we observe that the microscopic mechanism responsible for the structural relaxation is no longer related to the making and breaking of intermolecular bonds, but to binary intermolecular collisions

  19. A direct ab initio molecular dynamics (MD) study on the benzophenone-water 1 : 1 complex.

    Science.gov (United States)

    Tachikawa, Hiroto; Iyama, Tetsuji; Kato, Kohichi

    2009-07-28

    Direct ab initio molecular dynamics (MD) method has been applied to a benzophenone-water 1 : 1 complex Bp(H(2)O) and free benzophenone (Bp) to elucidate the effects of zero-point energy (ZPE) vibration and temperature on the absorption spectra of Bp(H(2)O). The n-pi transition of free-Bp (S(1) state) was blue-shifted by the interaction with a water molecule, whereas three pi-pi transitions (S(2), S(3) and S(4)) were red-shifted. The effects of the ZPE vibration and temperature of Bp(H(2)O) increased the intensity of the n-pi transition of Bp(H(2)O) and caused broadening of the pi-pi transitions. In case of the temperature effect, the intensity of n-pi transition increases with increasing temperature. The electronic states of Bp(H(2)O) were discussed on the basis of the theoretical results.

  20. Bulk water freezing dynamics on superhydrophobic surfaces

    Science.gov (United States)

    Chavan, S.; Carpenter, J.; Nallapaneni, M.; Chen, J. Y.; Miljkovic, N.

    2017-01-01

    In this study, we elucidate the mechanisms governing the heat-transfer mediated, non-thermodynamic limited, freezing delay on non-wetting surfaces for a variety of characteristic length scales, Lc (volume/surface area, 3 mm commercial superhydrophobic spray coatings, showing a monotonic increase in freezing time with coating thickness. The added thermal resistance of thicker coatings was much larger than that of the nanoscale superhydrophobic features, which reduced the droplet heat transfer and increased the total freezing time. Transient finite element method heat transfer simulations of the water slab freezing process were performed to calculate the overall heat transfer coefficient at the substrate-water/ice interface during freezing, and shown to be in the range of 1-2.5 kW/m2K for these experiments. The results shown here suggest that in order to exploit the heat-transfer mediated freezing delay, thicker superhydrophobic coatings must be deposited on the surface, where the coating resistance is comparable to the bulk water/ice conduction resistance.

  1. From Space to the Rocky Intertidal: Using NASA MODIS Sea Surface Temperature and NOAA Water Temperature to Predict Intertidal Logger Temperature

    Directory of Open Access Journals (Sweden)

    Jessica R. P. Sutton

    2017-02-01

    Full Text Available The development of satellite-derived datasets has greatly facilitated large-scale ecological studies, as in situ observations are spatially sparse and expensive undertakings. We tested the efficacy of using satellite sea surface temperature (SST collected by NASA’s Moderate Resolution Imaging Spectroradiometer (MODIS and local water temperature collected from NOAA buoys and onshore stations to estimate submerged intertidal mussel logger temperatures. Daily SST and local water temperatures were compared to mussel logger temperatures at five study sites located along the Oregon coastline. We found that satellite-derived SSTs and local water temperatures were similarly correlated to the submerged mussel logger temperatures. This finding suggests that satellite-derived SSTs may be used in conjunction with local water temperatures to understand the temporal and spatial variation of mussel logger temperatures. While there are limitations to using satellite-derived temperature for ecological studies, including issues with temporal and spatial resolution, our results are promising.

  2. Estimating respiration of roots in soil: interactions with soil CO2, soil temperature and soil water content

    NARCIS (Netherlands)

    Bouma, T.J.; Nielsen, K.F.; Eissenstat, D.M.; Lynch, J.P.

    1997-01-01

    Little information is available on the variability of the dynamics of the actual and observed root respiration rate in relation to abiotic factors. In this study, we describe I) interactions between soil CO2 concentration, temperature, soil water content and root respiration, and II) the effect of

  3. Temperature effects studies in light water reactor lattices

    International Nuclear Information System (INIS)

    Erradi, Lahoussine.

    1982-02-01

    The CREOLE experiments performed in the EOLE critical facility located in the Nuclear Center of CADARACHE - CEA (UO 2 and UO 2 -PuO 2 lattice reactivity temperature coefficient continuous measurements between 20 0 C and 300 0 C; integral measurements by boron equivalent effect in the moderator; water density effects measurements with the use of over cladding aluminium tubes to remove moderator) allow to get an interesting and complete information on the temperature effects in the light water reactor lattices. A very elaborated calcurated scheme using the transport theory and the APOLLO cross sections library, has been developed. The analysed results of the whole lot of experiments show that the discrepancy between theory and experiment strongly depends on the temperature range and on the type of lattices considered. The error is mainly linked with the thermal spectrum effects. A study on the temperature coefficient sensitivity to the different cell neutron parameters has shown that only the shapes of the 235 U and 238 U thermal cross sections have enough weight and uncertainty margins to explain the observed experimental/calculation bias. Instead of arbitrarily fitting the identified wrong data on the calculation of the reactivity temperature coefficient we have defined a procedure of modification of the cross sections based on the consideration of the basic nuclear data: resonance parameters and associated statistic laws. The implementation of this procedure has led to propose new thermal cross sections sets for 235 U and 238 U consistent with the uncertainty margins associated with the previously accepted values and with some experimental data [fr

  4. Effects of temperature on SCC propagation in high temperature water injected with hydrogen peroxide

    International Nuclear Information System (INIS)

    Nakano, Junichi; Sato, Tomonori; Kato, Chiaki; Yoshiyuki, Kaji; Yamamoto, Masahiro; Tsukada, Takashi

    2012-09-01

    To understand the stress corrosion cracking (SCC) behaviour of austenitic stainless steels (SSs) in the boiling water reactor (BWR) coolant environment, it is significant to investigate the effect of hydrogen peroxide (H 2 O 2 ) produced by the radiolysis of water on SCC under the various water chemistry and operational conditions. At the start-up or shut-down periods, for example, the conditions of radiation and temperature on the structural materials are different from those during the plant normal operation, and may be influencing on SCC behaviour. Therefore, the effect of temperature on SCC in high temperature water injected with H 2 O 2 was evaluated by SCC propagation test at the present study. Oxide films on the metal surface in crack were examined and the thermal equilibrium diagram was calculated to estimate the environmental situation in the crack. On the thermally sensitized type 304 SS, crack growth tests were conducted in high temperature water injected with H 2 O 2 to simulate water radiolysis in the core. Small CT type specimens with a width of 15.5 mm and thickness of 6.2 mm were machined from the sensitized SS. SCC growth tests were conducted in high temperature water injected with 100 ppb H 2 O 2 at 453 and 561 K. To minimize H 2 O 2 decomposition by a contact with metal surface of autoclave, the CT specimen was isolated from inner surface of the autoclave by the inner modules made of polytetrafluoroethylene (PTFE), and PTFE lining was also used for the inner surface of inlet and sampling tubes. Base on the measurement of sampled water, it was confirmed that 80-90 % of injected H 2 O 2 remained around the CT specimen in autoclave. Constant load at initial K levels of 11-20 MPam 1/2 was applied to the CT specimens during crack growth tests. After crack growth tests, CT specimens were split into two pieces on the plane of crack propagation. Scanning electron microscope (SEM) examination and laser Raman spectroscopy for outer oxide layer of oxide

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

    Science.gov (United States)

    Yagasaki, Takuma; Saito, Shinji

    2009-09-15

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

  6. Water Dynamics in Protein Hydration Shells: The Molecular Origins of the Dynamical Perturbation

    Science.gov (United States)

    2014-01-01

    Protein hydration shell dynamics play an important role in biochemical processes including protein folding, enzyme function, and molecular recognition. We present here a comparison of the reorientation dynamics of individual water molecules within the hydration shell of a series of globular proteins: acetylcholinesterase, subtilisin Carlsberg, lysozyme, and ubiquitin. Molecular dynamics simulations and analytical models are used to access site-resolved information on hydration shell dynamics and to elucidate the molecular origins of the dynamical perturbation of hydration shell water relative to bulk water. We show that all four proteins have very similar hydration shell dynamics, despite their wide range of sizes and functions, and differing secondary structures. We demonstrate that this arises from the similar local surface topology and surface chemical composition of the four proteins, and that such local factors alone are sufficient to rationalize the hydration shell dynamics. We propose that these conclusions can be generalized to a wide range of globular proteins. We also show that protein conformational fluctuations induce a dynamical heterogeneity within the hydration layer. We finally address the effect of confinement on hydration shell dynamics via a site-resolved analysis and connect our results to experiments via the calculation of two-dimensional infrared spectra. PMID:24479585

  7. Simultaneous measurement of dynamic strain and temperature distribution using high birefringence PANDA fiber Bragg grating

    Science.gov (United States)

    Zhu, Mengshi; Murayama, Hideaki

    2017-04-01

    New approach in simultaneous measurement of dynamic strain and temperature has been done by using a high birefringence PANDA fiber Bragg grating sensor. By this technique, we have succeeded in discriminating dynamic strain and temperature distribution at the sampling rate of 800 Hz and the spatial resolution of 1 mm. The dynamic distribution of strain and temperature were measured with the deviation of 5mm spatially. In addition, we have designed an experimental setup by which we can apply quantitative dynamic strain and temperature distribution to the fiber under testing without bounding it to a specimen.

  8. Molecular Dynamics Simulations of Water Nanodroplets on Silica Surfaces

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Walther, Jens Honore; Jaffe, Richard L.

    2009-01-01

    and DNA microarrays technologies.4,5,6,7,8 Although extensive experimental, theoretical and computational work has been devoted to study the nature of the interaction between silica and water,2,9-16 at the molecular level a complete understanding of silica-water systems has not been reached. Contact angle...... computations of water droplets on silica surfaces offers a useful fundamental and quantitative measurement in order to study chemical and physical properties of water-silica systems.3,16,17,18 For hydrophobic systems the static and dynamic properties of the fluid-solid interface are influenced by the presence...

  9. Nonlinear dynamics of boiling water reactors

    International Nuclear Information System (INIS)

    March-Leuba, J.; Cacuci, D.G.; Perez, R.B.

    1983-01-01

    Recent stability tests in Boiling Water Reactors (BWRs) have indicated that these reactors can exhibit the special nonlinear behavior of following a closed trajectory called limit cycle. The existence of a limit cycle corresponds to an oscillation of fixed amplitude and period. During these tests, such oscillations had their amplitudes limited to about +- 15% of the operating power. Since limit cycles are fairly insensitive to parameter variations, it is possible to operate a BWR under conditions that sustain a limit cycle (of fixed amplitude and period) over a finite range of reactor parameters

  10. Collective dynamics of protein hydration water by brillouin neutron spectroscopy.

    Science.gov (United States)

    Orecchini, Andrea; Paciaroni, Alessandro; De Francesco, Alessio; Petrillo, Caterina; Sacchetti, Francesco

    2009-04-08

    By a detailed experimental study of THz dynamics in the ribonuclease protein, we could detect the propagation of coherent collective density fluctuations within the protein hydration shell. The emerging picture indicates the presence of both a dispersing mode, traveling with a speed greater than 3000 m/s, and a nondispersing one, characterized by an almost constant energy of 6-7 meV. In agreement with molecular dynamics simulations [Phys. Rev. Lett. 2002, 89, 275501], the features of the dispersion curves closely resemble those observed in pure liquid water [Phys. Rev. E: Stat. Phys., Plasmas, Fluids, Relat. Interdiscip. Top. 2004, 69, 061203]. On the contrary, the observed damping factors are much larger than in bulk water, with the dispersing mode becoming overdamped at Q = 0.6 A(-1) already. Such novel experimental findings are discussed as a dynamic signature of the disordering effect induced by the protein surface on the local structure of water.

  11. Effect of water phase transition on dynamic ruptures with thermal pressurization: Numerical simulations with changes in physical properties of water

    Science.gov (United States)

    Urata, Yumi; Kuge, Keiko; Kase, Yuko

    2015-02-01

    Phase transitions of pore water have never been considered in dynamic rupture simulations with thermal pressurization (TP), although they may control TP. From numerical simulations of dynamic rupture propagation including TP, in the absence of any water phase transition process, we predict that frictional heating and TP are likely to change liquid pore water into supercritical water for a strike-slip fault under depth-dependent stress. This phase transition causes changes of a few orders of magnitude in viscosity, compressibility, and thermal expansion among physical properties of water, thus affecting the diffusion of pore pressure. Accordingly, we perform numerical simulations of dynamic ruptures with TP, considering physical properties that vary with the pressure and temperature of pore water on a fault. To observe the effects of the phase transition, we assume uniform initial stress and no fault-normal variations in fluid density and viscosity. The results suggest that the varying physical properties decrease the total slip in cases with high stress at depth and small shear zone thickness. When fault-normal variations in fluid density and viscosity are included in the diffusion equation, they activate TP much earlier than the phase transition. As a consequence, the total slip becomes greater than that in the case with constant physical properties, eradicating the phase transition effect. Varying physical properties do not affect the rupture velocity, irrespective of the fault-normal variations. Thus, the phase transition of pore water has little effect on dynamic ruptures. Fault-normal variations in fluid density and viscosity may play a more significant role.

  12. On the structure and dynamics of water associated with single-supported zwitterionic and anionic membranes

    DEFF Research Database (Denmark)

    Miskowiec, A.; Buck, Z. N.; Hansen, Flemming Yssing

    2017-01-01

    We have used high-resolution quasielastic neutron scattering (QENS) to investigate the dynamics of water molecules (time scale of motion similar to ∼10-11- 10-9 s) in proximity to single-supported bilayers of the zwitterionic lipid DMPC (1,2-dimyristoyl-sn-glycero-3-phosphorylcholine) and the ani......We have used high-resolution quasielastic neutron scattering (QENS) to investigate the dynamics of water molecules (time scale of motion similar to ∼10-11- 10-9 s) in proximity to single-supported bilayers of the zwitterionic lipid DMPC (1,2-dimyristoyl-sn-glycero-3-phosphorylcholine......) and the anionic lipid DMPG (1,2-dimyristoyl-sn-glycero-3-phosphoglycerol) in the temperature range 160-295 K. For both membranes, the temperature dependence of the intensity of neutrons scattered elastically and incoherently from these samples indicates a series of freezing/melting transitions...... the membrane and two types of confined water in closer proximity to the lipids. Specifically, we propose a water type termed "confined 2" located within and just above the lipid head groups of the membrane and confined 1 water that lies between the bulk-like and confined 2 water. Confined 1 water is only...

  13. Distributed Temperature Sensing - a Useful Tool for Investigation of Surface Water - Groundwater Interaction

    Science.gov (United States)

    Vogt, T.; Hahn-Woernle, L.; Sunarjo, B.; Thum, T.; Schneider, P.; Schirmer, M.; Cirpka, O. A.

    2009-04-01

    In recent years, the transition zone between surface water bodies and groundwater, known as the hyporheic zone, has been identified as crucial for the ecological status of the open-water body and the quality of groundwater. The hyporheic exchange processes vary both in time and space. For the assessment of water quality of both water bodies reliable models and measurements of the exchange rates and their variability are needed. A wide range of methods and technologies exist to estimate water fluxes between surface water and groundwater. Due to recent developments in sensor techniques and data logging work on heat as a tracer in hydrological systems advances, especially with focus on surface water - groundwater interactions. Here, we evaluate the use of Distributed Temperature Sensing (DTS) for the qualitative and quantitative investigation of groundwater discharge into and groundwater recharge from a river. DTS is based on the temperature dependence of Raman scattering. Light from a laser pulse is scattered along an optical fiber of up to several km length, which is the sensor of the DTS system. By sampling the the back-scattered light with high temporal resolution, the temperature along the fiber can be measured with high accuracy (0.1 K) and high spatial resolution (1 m). We used DTS at a test side at River Thur in North-East Switzerland. Here, the river is loosing and the aquifer is drained by two side-channels, enabling us to test DTS for both, groundwater recharge from the river and groundwater discharge into the side-channels. For estimation of seepage rates, we measured highly resolved vertical temperature profiles in the river bed. For this application, we wrapped an optical fiber around a piezometer tube and measured the temperature distribution along the fiber. Due to the wrapping, we obtained a vertical resolution of approximately 5 mm. We analyzed the temperature time series by means of Dynamic Harmonic Regression as presented by Keery et al. (2007

  14. Estimating Biofuel Feedstock Water Footprints Using System Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Inman, Daniel; Warner, Ethan; Stright, Dana; Macknick, Jordan; Peck, Corey

    2016-07-01

    Increased biofuel production has prompted concerns about the environmental tradeoffs of biofuels compared to petroleum-based fuels. Biofuel production in general, and feedstock production in particular, is under increased scrutiny. Water footprinting (measuring direct and indirect water use) has been proposed as one measure to evaluate water use in the context of concerns about depleting rural water supplies through activities such as irrigation for large-scale agriculture. Water footprinting literature has often been limited in one or more key aspects: complete assessment across multiple water stocks (e.g., vadose zone, surface, and ground water stocks), geographical resolution of data, consistent representation of many feedstocks, and flexibility to perform scenario analysis. We developed a model called BioSpatial H2O using a system dynamics modeling and database framework. BioSpatial H2O could be used to consistently evaluate the complete water footprints of multiple biomass feedstocks at high geospatial resolutions. BioSpatial H2O has the flexibility to perform simultaneous scenario analysis of current and potential future crops under alternative yield and climate conditions. In this proof-of-concept paper, we modeled corn grain (Zea mays L.) and soybeans (Glycine max) under current conditions as illustrative results. BioSpatial H2O links to a unique database that houses annual spatially explicit climate, soil, and plant physiological data. Parameters from the database are used as inputs to our system dynamics model for estimating annual crop water requirements using daily time steps. Based on our review of the literature, estimated green water footprints are comparable to other modeled results, suggesting that BioSpatial H2O is computationally sound for future scenario analysis. Our modeling framework builds on previous water use analyses to provide a platform for scenario-based assessment. BioSpatial H2O's system dynamics is a flexible and user

  15. Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity

    Science.gov (United States)

    2018-01-01

    The structural heterogeneity of water at various interfaces can be revealed by time-resolved sum-frequency generation spectroscopy. The vibrational dynamics of the O–H stretch vibration of interfacial water can reflect structural variations. Specifically, the vibrational lifetime is typically found to increase with increasing frequency of the O–H stretch vibration, which can report on the hydrogen-bonding heterogeneity of water. We compare and contrast vibrational dynamics of water in contact with various surfaces, including vapor, biomolecules, and solid interfaces. The results reveal that variations in the vibrational lifetime with vibrational frequency are very typical, and can frequently be accounted for by the bulk-like heterogeneous response of interfacial water. Specific interfaces exist, however, for which the behavior is less straightforward. These insights into the heterogeneity of interfacial water thus obtained contribute to a better understanding of complex phenomena taking place at aqueous interfaces, such as photocatalytic reactions and protein folding. PMID:29490138

  16. A dynamic control water distribution model of steel in continuous casting

    International Nuclear Information System (INIS)

    Fu Jianxun; Hwang, Weng-Sing; Tsai, De-Chang; Tsai, Ming Hsiu; Wang, Chien-Hsun

    2012-01-01

    After investigation in many continuous casting shop of steel, a dynamic water distribution model is proposed for flexible control on secondary cooling in continuous casting. In this model, the water cooling intensity is determined by the model casting speed instead of the real casting speed. When the casting speed is steady, the model casting speed is equal to the real casting speed. When the real casting speed is changing, the model casting speed according to calculating algorithm to adjust and approaches to the real one, but there is a time delay between them, so it can avoid the slab surface temperature fluctuated due to casting speed changes. The secondary cooling can be dynamically controlled by monitoring the model casting speed. The compare of the simulation results and the measured results reveals that the temperature field and thickness of slab shell in simulations agree very well with the real production situations.

  17. Pollution source localization in an urban water supply network based on dynamic water demand.

    Science.gov (United States)

    Yan, Xuesong; Zhu, Zhixin; Li, Tian

    2017-10-27

    Urban water supply networks are susceptible to intentional, accidental chemical, and biological pollution, which pose a threat to the health of consumers. In recent years, drinking-water pollution incidents have occurred frequently, seriously endangering social stability and security. The real-time monitoring for water quality can be effectively implemented by placing sensors in the water supply network. However, locating the source of pollution through the data detection obtained by water quality sensors is a challenging problem. The difficulty lies in the limited number of sensors, large number of water supply network nodes, and dynamic user demand for water, which leads the pollution source localization problem to an uncertainty, large-scale, and dynamic optimization problem. In this paper, we mainly study the dynamics of the pollution source localization problem. Previous studies of pollution source localization assume that hydraulic inputs (e.g., water demand of consumers) are known. However, because of the inherent variability of urban water demand, the problem is essentially a fluctuating dynamic problem of consumer's water demand. In this paper, the water demand is considered to be stochastic in nature and can be described using Gaussian model or autoregressive model. On this basis, an optimization algorithm is proposed based on these two dynamic water demand change models to locate the pollution source. The objective of the proposed algorithm is to find the locations and concentrations of pollution sources that meet the minimum between the analogue and detection values of the sensor. Simulation experiments were conducted using two different sizes of urban water supply network data, and the experimental results were compared with those of the standard genetic algorithm.

  18. SCC Initiation Testing of Alloy 600 in High Temperature Water

    Science.gov (United States)

    Etien, Robert A.; Richey, Edward; Morton, David S.; Eager, Julie

    Stress corrosion cracking (SCC) initiation tests have been conducted on Alloy 600 at temperatures from 304 to 367°C. Tests were conducted with in-situ monitored smooth tensile specimens under a constant load in hydrogenated environments. A reversing direct current electric potential drop (EPD) system was used for all of the tests to detect SCC initiation. Tests were conducted to examine the effects of stress (and strain), coolant hydrogen, and temperature on SCC initiation time. The thermal activation energy of SCC initiation was measured as 103 ± 18 kJ/mol in hydrogenated water, which is similar to the thermal activation energy for SCC growth. Results suggest that the fundamental mechanical parameter which controls SCC initiation is plastic strain not stress. SCC initiation was shown to have a different sensitivity than SCC growth to dissolved hydrogen level. Specifically, SCC initiation time appears to be relatively insensitive to hydrogen level in the nickel stability region.

  19. Development of solid electrolytes for water electrolysis at higher temperature

    Energy Technology Data Exchange (ETDEWEB)

    Linkous, C.A. [Florida Solar Energy Center, Cocoa, FL (United States)

    1996-10-01

    This report describes efforts in developing new solid polymer electrolytes that will enable operation of proton exchange membrane electrolyzers at higher temperatures than are currently possible. Several ionomers have been prepared from polyetheretherketone (PEEK), polyethersulfone (PES), and polyphenylquinoxaline (PPQ) by employing various sulfonation procedures. By controlling the extent of sulfonation, a range of proton conductivities could be achieved, whose upper limit actually exceeded that of commercially available perfluoralkyl sulfonates. Thermoconductimetric analysis of samples at various degrees of sulfonation showed an inverse relationship between conductivity and maximum operating temperature. This was attributed to the dual effect of adding sulfonate groups to the polymer: more acid groups produce more protons for increased conductivity, but they also increase water uptake, which mechanically weakens the membrane. This situation was exacerbated by the limited acidity of the aromatic sulfonic acids (pK{sub A} {approx} 2-3). The possibility of using partial fluorination to raise the acid dissociation constant is discussed.

  20. An operational analysis of Lake Surface Water Temperature

    Directory of Open Access Journals (Sweden)

    Emma K. Fiedler

    2014-07-01

    Full Text Available Operational analyses of Lake Surface Water Temperature (LSWT have many potential uses including improvement of numerical weather prediction (NWP models on regional scales. In November 2011, LSWT was included in the Met Office Operational Sea Surface Temperature and Ice Analysis (OSTIA product, for 248 lakes globally. The OSTIA analysis procedure, which has been optimised for oceans, has also been used for the lakes in this first version of the product. Infra-red satellite observations of lakes and in situ measurements are assimilated. The satellite observations are based on retrievals optimised for Sea Surface Temperature (SST which, although they may introduce inaccuracies into the LSWT data, are currently the only near-real-time information available. The LSWT analysis has a global root mean square difference of 1.31 K and a mean difference of 0.65 K (including a cool skin effect of 0.2 K compared to independent data from the ESA ARC-Lake project for a 3-month period (June to August 2009. It is demonstrated that the OSTIA LSWT is an improvement over the use of climatology to capture the day-to-day variation in global lake surface temperatures.

  1. Second RPA dynamics at finite temperature: time-evolutions of dynamical operators

    International Nuclear Information System (INIS)

    Jang, S.

    1989-01-01

    Time-evolutions of dynamical operators, in particular the generalized density matrix comprising both diagonal and off-diagonal elements, are investigated within the framework of second RPA dynamics at finite temperature. The calculation of the density matrix previously carried out through the appliance of the second RPA master equation by retaining only the slowly oscillating coupling terms is extended to include in the interaction Hamiltonian both the rapidly and slowly oscillating coupling terms. The extended second RPA master equation, thereby formulated without making use of the so-called resonant approximation, is analytically solved and a closed expression for the generalized density matrix is extracted. We provide illustrative examples of the generalized density matrix for various specific initial conditions. We turn particularly our attention to the Poisson distribution type of initial condition for which we deduce specifically a particular form of the density matrix from the solution of the Fokker-Planck equation for the coherent state representation. The relation of the Fokker-Planck equation to the second RPA master equation and its properties are briefly discussed. The oversight incurred in the time-evolution of operators by the resonant approximation is elucidated. The first and second moments of collective coordinates are also computed in relation to the expectation value of various dynamical operators involved in the extended master equation

  2. Nonlinear dynamics of rotating shallow water methods and advances

    CERN Document Server

    Zeitlin, Vladimir

    2007-01-01

    The rotating shallow water (RSW) model is of wide use as a conceptual tool in geophysical fluid dynamics (GFD), because, in spite of its simplicity, it contains all essential ingredients of atmosphere and ocean dynamics at the synoptic scale, especially in its two- (or multi-) layer version. The book describes recent advances in understanding (in the framework of RSW and related models) of some fundamental GFD problems, such as existence of the slow manifold, dynamical splitting of fast (inertia-gravity waves) and slow (vortices, Rossby waves) motions, nonlinear geostrophic adjustment and wa

  3. Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature

    Science.gov (United States)

    Litman, Yair; Donadio, Davide; Ceriotti, Michele; Rossi, Mariana

    2018-03-01

    Water molecules adsorbed on inorganic substrates play an important role in several technological applications. In the presence of light atoms in adsorbates, nuclear quantum effects (NQEs) influence the structural stability and the dynamical properties of these systems. In this work, we explore the impact of NQEs on the dissociation of water wires on stepped Pt(221) surfaces. By performing ab initio molecular dynamics simulations with van der Waals corrected density functional theory, we note that several competing minima for both intact and dissociated structures are accessible at finite temperatures, making it important to assess whether harmonic estimates of the quantum free energy are sufficient to determine the relative stability of the different states. We thus perform ab initio path integral molecular dynamics (PIMD) in order to calculate these contributions taking into account the conformational entropy and anharmonicities at finite temperatures. We propose that when adsorption is weak and NQEs on the substrate are negligible, PIMD simulations can be performed through a simple partition of the system, resulting in considerable computational savings. We then calculate the full contribution of NQEs to the free energies, including also anharmonic terms. We find that they result in an increase of up to 20% of the quantum contribution to the dissociation free energy compared with the harmonic estimates. We also find that the dissociation process has a negligible contribution from tunneling but is dominated by zero point energies, which can enhance the rate of dissociation by three orders of magnitude. Finally we highlight how both temperature and NQEs indirectly impact dipoles and the redistribution of electron density, causing work function changes of up to 0.4 eV with respect to static estimates. This quantitative determination of the change in the work function provides a possible approach to determine experimentally the most stable configurations of water

  4. Long-Term Bacterial Dynamics in a Full-Scale Drinking Water Distribution System.

    Directory of Open Access Journals (Sweden)

    E I Prest

    Full Text Available Large seasonal variations in microbial drinking water quality can occur in distribution networks, but are often not taken into account when evaluating results from short-term water sampling campaigns. Temporal dynamics in bacterial community characteristics were investigated during a two-year drinking water monitoring campaign in a full-scale distribution system operating without detectable disinfectant residual. A total of 368 water samples were collected on a biweekly basis at the water treatment plant (WTP effluent and at one fixed location in the drinking water distribution network (NET. The samples were analysed for heterotrophic plate counts (HPC, Aeromonas plate counts, adenosine-tri-phosphate (ATP concentrations, and flow cytometric (FCM total and intact cell counts (TCC, ICC, water temperature, pH, conductivity, total organic carbon (TOC and assimilable organic carbon (AOC. Multivariate analysis of the large dataset was performed to explore correlative trends between microbial and environmental parameters. The WTP effluent displayed considerable seasonal variations in TCC (from 90 × 103 cells mL-1 in winter time up to 455 × 103 cells mL-1 in summer time and in bacterial ATP concentrations (<1-3.6 ng L-1, which were congruent with water temperature variations. These fluctuations were not detected with HPC and Aeromonas counts. The water in the network was predominantly influenced by the characteristics of the WTP effluent. The increase in ICC between the WTP effluent and the network sampling location was small (34 × 103 cells mL-1 on average compared to seasonal fluctuations in ICC in the WTP effluent. Interestingly, the extent of bacterial growth in the NET was inversely correlated to AOC concentrations in the WTP effluent (Pearson's correlation factor r = -0.35, and positively correlated with water temperature (r = 0.49. Collecting a large dataset at high frequency over a two year period enabled the characterization of previously

  5. Long-Term Bacterial Dynamics in a Full-Scale Drinking Water Distribution System

    KAUST Repository

    Prest, E. I.; Weissbrodt, D. G.; Hammes, F.; Van Loosdrecht, M. C M; Vrouwenvelder, Johannes S.

    2016-01-01

    Large seasonal variations in microbial drinking water quality can occur in distribution networks, but are often not taken into account when evaluating results from short-term water sampling campaigns. Temporal dynamics in bacterial community characteristics were investigated during a two-year drinking water monitoring campaign in a full-scale distribution system operating without detectable disinfectant residual. A total of 368 water samples were collected on a biweekly basis at the water treatment plant (WTP) effluent and at one fixed location in the drinking water distribution network (NET). The samples were analysed for heterotrophic plate counts (HPC), Aeromonas plate counts, adenosine-tri-phosphate (ATP) concentrations, and flow cytometric (FCM) total and intact cell counts (TCC, ICC), water temperature, pH, conductivity, total organic carbon (TOC) and assimilable organic carbon (AOC). Multivariate analysis of the large dataset was performed to explore correlative trends between microbial and environmental parameters. The WTP effluent displayed considerable seasonal variations in TCC (from 90 × 103 cells mL-1 in winter time up to 455 × 103 cells mL-1 in summer time) and in bacterial ATP concentrations (<1–3.6 ng L-1), which were congruent with water temperature variations. These fluctuations were not detected with HPC and Aeromonas counts. The water in the network was predominantly influenced by the characteristics of the WTP effluent. The increase in ICC between the WTP effluent and the network sampling location was small (34 × 103 cells mL-1 on average) compared to seasonal fluctuations in ICC in the WTP effluent. Interestingly, the extent of bacterial growth in the NET was inversely correlated to AOC concentrations in the WTP effluent (Pearson’s correlation factor r = -0.35), and positively correlated with water temperature (r = 0.49). Collecting a large dataset at high frequency over a two year period enabled the characterization of previously

  6. Long-Term Bacterial Dynamics in a Full-Scale Drinking Water Distribution System.

    Science.gov (United States)

    Prest, E I; Weissbrodt, D G; Hammes, F; van Loosdrecht, M C M; Vrouwenvelder, J S

    2016-01-01

    Large seasonal variations in microbial drinking water quality can occur in distribution networks, but are often not taken into account when evaluating results from short-term water sampling campaigns. Temporal dynamics in bacterial community characteristics were investigated during a two-year drinking water monitoring campaign in a full-scale distribution system operating without detectable disinfectant residual. A total of 368 water samples were collected on a biweekly basis at the water treatment plant (WTP) effluent and at one fixed location in the drinking water distribution network (NET). The samples were analysed for heterotrophic plate counts (HPC), Aeromonas plate counts, adenosine-tri-phosphate (ATP) concentrations, and flow cytometric (FCM) total and intact cell counts (TCC, ICC), water temperature, pH, conductivity, total organic carbon (TOC) and assimilable organic carbon (AOC). Multivariate analysis of the large dataset was performed to explore correlative trends between microbial and environmental parameters. The WTP effluent displayed considerable seasonal variations in TCC (from 90 × 103 cells mL-1 in winter time up to 455 × 103 cells mL-1 in summer time) and in bacterial ATP concentrations (water temperature variations. These fluctuations were not detected with HPC and Aeromonas counts. The water in the network was predominantly influenced by the characteristics of the WTP effluent. The increase in ICC between the WTP effluent and the network sampling location was small (34 × 103 cells mL-1 on average) compared to seasonal fluctuations in ICC in the WTP effluent. Interestingly, the extent of bacterial growth in the NET was inversely correlated to AOC concentrations in the WTP effluent (Pearson's correlation factor r = -0.35), and positively correlated with water temperature (r = 0.49). Collecting a large dataset at high frequency over a two year period enabled the characterization of previously undocumented seasonal dynamics in the distribution

  7. Long-Term Bacterial Dynamics in a Full-Scale Drinking Water Distribution System

    KAUST Repository

    Prest, E. I.

    2016-10-28

    Large seasonal variations in microbial drinking water quality can occur in distribution networks, but are often not taken into account when evaluating results from short-term water sampling campaigns. Temporal dynamics in bacterial community characteristics were investigated during a two-year drinking water monitoring campaign in a full-scale distribution system operating without detectable disinfectant residual. A total of 368 water samples were collected on a biweekly basis at the water treatment plant (WTP) effluent and at one fixed location in the drinking water distribution network (NET). The samples were analysed for heterotrophic plate counts (HPC), Aeromonas plate counts, adenosine-tri-phosphate (ATP) concentrations, and flow cytometric (FCM) total and intact cell counts (TCC, ICC), water temperature, pH, conductivity, total organic carbon (TOC) and assimilable organic carbon (AOC). Multivariate analysis of the large dataset was performed to explore correlative trends between microbial and environmental parameters. The WTP effluent displayed considerable seasonal variations in TCC (from 90 × 103 cells mL-1 in winter time up to 455 × 103 cells mL-1 in summer time) and in bacterial ATP concentrations (<1–3.6 ng L-1), which were congruent with water temperature variations. These fluctuations were not detected with HPC and Aeromonas counts. The water in the network was predominantly influenced by the characteristics of the WTP effluent. The increase in ICC between the WTP effluent and the network sampling location was small (34 × 103 cells mL-1 on average) compared to seasonal fluctuations in ICC in the WTP effluent. Interestingly, the extent of bacterial growth in the NET was inversely correlated to AOC concentrations in the WTP effluent (Pearson’s correlation factor r = -0.35), and positively correlated with water temperature (r = 0.49). Collecting a large dataset at high frequency over a two year period enabled the characterization of previously

  8. Carbon dioxide and water vapor high temperature electrolysis

    Science.gov (United States)

    Isenberg, Arnold O.; Verostko, Charles E.

    1989-01-01

    The design, fabrication, breadboard testing, and the data base obtained for solid oxide electrolysis systems that have applications for planetary manned missions and habitats are reviewed. The breadboard tested contains sixteen tubular cells in a closely packed bundle for the electrolysis of carbon dioxide and water vapor. The discussion covers energy requirements, volume, weight, and operational characteristics related to the measurement of the reactant and product gas compositions, temperature distribution along the electrolyzer tubular cells and through the bundle, and thermal energy losses. The reliability of individual cell performance in the bundle configuration is assessed.

  9. Room temperature synthesis of water-repellent polystyrene nanocomposite coating

    International Nuclear Information System (INIS)

    Guo Yonggang; Jiang Dong; Zhang Xia; Zhang Zhijun; Wang Qihua

    2010-01-01

    A stable superhydrophobic polystyrene nanocomposite coating was fabricated by means of a very simple and easy method. The coating was characterized by scanning electron microscopy and X-ray photoelectron spectrum. The wettability of the products was also investigated. By adding the surface-modified SiO 2 nanoparticles, the wettability of the coating changed to water-repellent superhydrophobic, not only for pure water, but also for a wide pH range of corrosive liquids. The influence of the drying temperature and SiO 2 content on the wettability of the nanocomposite coating was also investigated. It was found that both factors had little or no significant effect on the wetting behavior of the coating surface.

  10. Optimizing basin-scale coupled water quantity and water quality management with stochastic dynamic programming

    DEFF Research Database (Denmark)

    Davidsen, Claus; Liu, Suxia; Mo, Xingguo

    2015-01-01

    Few studies address water quality in hydro-economic models, which often focus primarily on optimal allocation of water quantities. Water quality and water quantity are closely coupled, and optimal management with focus solely on either quantity or quality may cause large costs in terms of the oth......-er component. In this study, we couple water quality and water quantity in a joint hydro-economic catchment-scale optimization problem. Stochastic dynamic programming (SDP) is used to minimize the basin-wide total costs arising from water allocation, water curtailment and water treatment. The simple water...... quality module can handle conservative pollutants, first order depletion and non-linear reactions. For demonstration purposes, we model pollutant releases as biochemical oxygen demand (BOD) and use the Streeter-Phelps equation for oxygen deficit to compute the resulting min-imum dissolved oxygen...

  11. Water Tunnel Studies of Dynamic Wing Flap Effects

    Science.gov (United States)

    2016-06-01

    NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS Approved for public release; distribution is unlimited WATER TUNNEL...Master’s Thesis 4. TITLE AND SUBTITLE WATER TUNNEL STUDIES OF DYNAMIC WING FLAP EFFECTS 5. FUNDING NUMBERS 6. AUTHOR(S) Edgar E. González 7. PERFORMING...ABSTRACT (maximum 200 words ) The flow features developing over a two-element NACA 0012 airfoil, with the rear portion serving as a trailing edge flap

  12. Molecular dynamics study of water molecule diffusion in oil-paper insulation materials

    International Nuclear Information System (INIS)

    Liao Ruijin; Zhu Mengzhao; Yang Lijun; Zhou Xin; Gong Chunyan

    2011-01-01

    Moisture is an important factor that influences the safe operation of transformers. In this study, molecular dynamics was employed to investigate the diffusion behavior of water molecules in the oil-paper insulation materials of transformers. Two oil-cellulose models were built. In the first model, water molecules were initially distributed in oil, and in the second model, water molecules were distributed in cellulose. The non-bonding energies of interaction between water molecules and oil, and between water molecules and cellulose, were calculated by the Dreiding force field. The interaction energy was found to play a dominant role in influencing the equilibrium distribution of water molecules. The radial direction functions of water molecules toward oil and cellulose indicate that the hydrogen bonds between water molecules and cellulose are sufficiently strong to withstand the operating temperature of the transformer. Mean-square displacement analysis of water molecules diffusion suggests that water molecules initially distributed in oil showed anisotropic diffusion; they tended to diffuse toward cellulose. Water molecules initially distributed in cellulose diffused isotropically. This study provides a theoretical contribution for improvements in online monitoring of water in transformers, and for subsequent research on new insulation materials.

  13. Molecular dynamics study of water molecule diffusion in oil-paper insulation materials

    Energy Technology Data Exchange (ETDEWEB)

    Liao Ruijin [State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Chongqing 400044 (China); Zhu Mengzhao, E-mail: xiaozhupost@163.co [State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Chongqing 400044 (China); Yang Lijun; Zhou Xin; Gong Chunyan [State Key Laboratory of Power Transmission Equipment and System Security and New Technology, Chongqing University, Chongqing 400044 (China)

    2011-03-01

    Moisture is an important factor that influences the safe operation of transformers. In this study, molecular dynamics was employed to investigate the diffusion behavior of water molecules in the oil-paper insulation materials of transformers. Two oil-cellulose models were built. In the first model, water molecules were initially distributed in oil, and in the second model, water molecules were distributed in cellulose. The non-bonding energies of interaction between water molecules and oil, and between water molecules and cellulose, were calculated by the Dreiding force field. The interaction energy was found to play a dominant role in influencing the equilibrium distribution of water molecules. The radial direction functions of water molecules toward oil and cellulose indicate that the hydrogen bonds between water molecules and cellulose are sufficiently strong to withstand the operating temperature of the transformer. Mean-square displacement analysis of water molecules diffusion suggests that water molecules initially distributed in oil showed anisotropic diffusion; they tended to diffuse toward cellulose. Water molecules initially distributed in cellulose diffused isotropically. This study provides a theoretical contribution for improvements in online monitoring of water in transformers, and for subsequent research on new insulation materials.

  14. Temporal dynamics of blue and green virtual water trade networks

    Science.gov (United States)

    Konar, M.; Dalin, C.; Hanasaki, N.; Rinaldo, A.; Rodriguez-Iturbe, I.

    2012-12-01

    Global food security increasingly relies on the trade of food commodities. Freshwater resources are essential to agricultural production and are thus embodied in the trade of food commodities, referred to as "virtual water trade." Agricultural production predominantly relies on rainwater (i.e., "green water"), though irrigation (i.e., "blue water") does play an important role. These different sources of water have distinctly different opportunity costs, which may be reflected in the way these resources are traded. Thus, the temporal dynamics of the virtual water trade networks from these distinct water sources require characterization. We find that 42 × 109 m3 blue and 310 × 109 m3 green water was traded in 1986, growing to 78 × 109 m3 blue and 594 × 109 m3 green water traded in 2008. Three nations dominate the export of green water resources: the USA, Argentina, and Brazil. As a country increases its export trade partners it tends to export relatively more blue water. However, as a country increases its import trade partners it does not preferentially import water from a specific source. The amount of virtual water that a country imports by increasing its import trade partners has been decreasing over time, with the exception of the soy trade. Both blue and green virtual water networks are efficient: 119 × 109 m3 blue and 105 × 109 m3 green water were saved in 2008. Importantly, trade has been increasingly saving water over time, due to the intensification of crop trade on more water-efficient links.

  15. Evaluating water conservation and reuse policies using a dynamic water balance model.

    Science.gov (United States)

    Qaiser, Kamal; Ahmad, Sajjad; Johnson, Walter; Batista, Jacimaria R

    2013-02-01

    A dynamic water balance model is created to examine the effects of different water conservation policies and recycled water use on water demand and supply in a region faced with water shortages and significant population growth, the Las Vegas Valley (LVV). The model, developed using system dynamics approach, includes an unusual component of the water system, return flow credits, where credits are accrued for returning treated wastewater to the water supply source. In LVV, Lake Mead serves as, both the drinking water source and the receiving body for treated wastewater. LVV has a consumptive use allocation from Lake Mead but return flow credits allow the water agency to pull out additional water equal to the amount returned as treated wastewater. This backdrop results in a scenario in which conservation may cause a decline in the available water supply. Current water use in LVV is 945 lpcd (250 gpcd), which the water agency aims to reduce to 752 lpcd (199 gpcd) by 2035, mainly through water conservation. Different conservation policies focused on indoor and outdoor water use, along with different population growth scenarios, are modeled for their effects on the water demand and supply. Major contribution of this study is in highlighting the importance of outdoor water conservation and the effectiveness of reducing population growth rate in addressing the future water shortages. The water agency target to decrease consumption, if met completely through outdoor conservation, coupled with lower population growth rate, can potentially satisfy the Valley's water demands through 2035.

  16. High-resolution gulf water skin temperature estimation using TIR/ASTER

    Digital Repository Service at National Institute of Oceanography (India)

    Kunte, P.D.; ManiMurali, R.; Mahender, K.

    to separate geomorphic features. It is demonstrated that high resolution water skin temperature of small water bodies can be determined correctly, economically and less laboriously using space-based TIR/ASTER and that estimated temperature can be effectively...

  17. Socioeconomic dynamics of water quality in the Egyptian Nile

    Science.gov (United States)

    Malik, Maheen; Nisar, Zainab; Karakatsanis, Georgios

    2016-04-01

    The Nile River remains the most important source of freshwater for Egypt as it accounts for nearly all of the country's drinking and irrigation water. About 95% of the total population is accounted to live along the Banks of the Nile(1). Therefore, water quality deterioration in addition to general natural scarcity of water in the region(2) is the main driver for carrying out this study. What further aggravates this issue is the water conflict in the Blue Nile region. The study evaluates different water quality parameters and their concentrations in the Egyptian Nile; further assessing the temporal dynamics of water quality in the area with (a) the Environmental Kuznets Curve (EKC)(3) and (b) the Jevons Paradox (JP)(4) in order to identify water quality improvements or degradations using selected socioeconomic variables(5). For this purpose various environmental indicators including BOD, COD, DO, Phosphorus and TDS were plotted against different economic variables including Population, Gross Domestic Product (GDP), Annual Fresh Water Withdrawal and Improved Water Source. Mathematically, this was expressed by 2nd and 3rd degree polynomial regressions generating the EKC and JP respectively. The basic goal of the regression analysis is to model and highlight the dynamic trend of water quality indicators in relation to their established permissible limits, which will allow the identification of optimal future water quality policies. The results clearly indicate that the dependency of water quality indicators on socioeconomic variables differs for every indicator; while COD was above the permissible limits in all the cases despite of its decreasing trend in each case, BOD and phosphate signified increasing concentrations for the future, if they continue to follow the present trend. This could be an indication of rebound effect explained by the Jevons Paradox i.e. water quality deterioration after its improvement, either due to increase of population or intensification

  18. Dynamic water accounting in heavily committed river basins

    Science.gov (United States)

    Tilmant, Amaury; Marques, Guilherme

    2014-05-01

    Many river basins throughout the world are increasingly under pressure as water demands keep rising due to population growth, industrialization, urbanization and rising living standards. In the past, the typical answer to meet those demands focused on the supply-side and involved the construction of hydraulic infrastructures to capture more water from surface water bodies and from aquifers. As river basins were being more and more developed, downstream water users and ecosystems have become increasingly dependant on the management actions taken by upstream users. The increased interconnectedness between water users, aquatic ecosystems and the built environment is further compounded by climate change and its impact on the water cycle. Those pressures mean that it has become increasingly important to measure and account for changes in water fluxes and their corresponding economic value as they progress throughout the river system. Such basin water accounting should provide policy makers with important information regarding the relative contribution of each water user, infrastructure and management decision to the overall economic value of the river basin. This paper presents a dynamic water accounting approach whereby the entire river basin is considered as a value chain with multiple services including production and storage. Water users and reservoirs operators are considered as economic agents who can exchange water with their hydraulic neighbors at a price corresponding to the marginal value of water. Effective water accounting is made possible by keeping track of all water fluxes and their corresponding transactions using the results of a hydro-economic model. The proposed approach is illustrated with the Eastern Nile River basin in Africa.

  19. Rotational dynamics in supercooled water from nuclear spin relaxation and molecular simulations.

    Science.gov (United States)

    Qvist, Johan; Mattea, Carlos; Sunde, Erik P; Halle, Bertil

    2012-05-28

    Structural dynamics in liquid water slow down dramatically in the supercooled regime. To shed further light on the origin of this super-Arrhenius temperature dependence, we report high-precision (17)O and (2)H NMR relaxation data for H(2)O and D(2)O, respectively, down to 37 K below the equilibrium freezing point. With the aid of molecular dynamics (MD) simulations, we provide a detailed analysis of the rotational motions probed by the NMR experiments. The NMR-derived rotational correlation time τ(R) is the integral of a time correlation function (TCF) that, after a subpicosecond librational decay, can be described as a sum of two exponentials. Using a coarse-graining algorithm to map the MD trajectory on a continuous-time random walk (CTRW) in angular space, we show that the slowest TCF component can be attributed to large-angle molecular jumps. The mean jump angle is ∼48° at all temperatures and the waiting time distribution is non-exponential, implying dynamical heterogeneity. We have previously used an analogous CTRW model to analyze quasielastic neutron scattering data from supercooled water. Although the translational and rotational waiting times are of similar magnitude, most translational jumps are not synchronized with a rotational jump of the same molecule. The rotational waiting time has a stronger temperature dependence than the translation one, consistent with the strong increase of the experimentally derived product τ(R) D(T) at low temperatures. The present CTRW jump model is related to, but differs in essential ways from the extended jump model proposed by Laage and co-workers. Our analysis traces the super-Arrhenius temperature dependence of τ(R) to the rotational waiting time. We present arguments against interpreting this temperature dependence in terms of mode-coupling theory or in terms of mixture models of water structure.

  20. Dynamics of Biofilm Regrowth in Drinking Water Distribution Systems.

    Science.gov (United States)

    Douterelo, I; Husband, S; Loza, V; Boxall, J

    2016-07-15

    The majority of biomass within water distribution systems is in the form of attached biofilm. This is known to be central to drinking water quality degradation following treatment, yet little understanding of the dynamics of these highly heterogeneous communities exists. This paper presents original information on such dynamics, with findings demonstrating patterns of material accumulation, seasonality, and influential factors. Rigorous flushing operations repeated over a 1-year period on an operational chlorinated system in the United Kingdom are presented here. Intensive monitoring and sampling were undertaken, including time-series turbidity and detailed microbial analysis using 16S rRNA Illumina MiSeq sequencing. The results show that bacterial dynamics were influenced by differences in the supplied water and by the material remaining attached to the pipe wall following flushing. Turbidity, metals, and phosphate were the main factors correlated with the distribution of bacteria in the samples. Coupled with the lack of inhibition of biofilm development due to residual chlorine, this suggests that limiting inorganic nutrients, rather than organic carbon, might be a viable component in treatment strategies to manage biofilms. The research also showed that repeat flushing exerted beneficial selective pressure, giving another reason for flushing being a viable advantageous biofilm management option. This work advances our understanding of microbiological processes in drinking water distribution systems and helps inform strategies to optimize asset performance. This research provides novel information regarding the dynamics of biofilm formation in real drinking water distribution systems made of different materials. This new knowledge on microbiological process in water supply systems can be used to optimize the performance of the distribution network and to guarantee safe and good-quality drinking water to consumers. Copyright © 2016 Douterelo et al.

  1. Is dynamic heterogeneity of water in presence of a protein ...

    Indian Academy of Sciences (India)

    Abstract. Rotational and translational dynamic heterogeneities (DHs) of ambient aqueous solutions of trimethylamine-N-oxide (TMAO) and tetramethylurea (TMU) at several solute concentrations have been inves- tigated and compared. Motional characteristics of water molecules at solute interfaces and in bulk solutions.

  2. Analysis of Dynamic Characteristics of Water Injection Pump

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jong Myeong; Lee, Jeong Hoon; Ha, Jeong Min; Ahn, Byung Hyun; Kim, Won Cheol; Choi, Byeong Keun [Gyeongsang Nat' l Univ., Jinju (Korea, Republic of)

    2013-12-15

    Water injection pump outputs oil with high pressure during this process, seawater is injected into the well to recover the well pressure and maintain high productivity. A water injection pump has high productivity, and herefore, it serves as a key piece of equipment in marine plants. In this light, water injection pumps are being studied widely in industry. In this study, the rotor dynamics is analyzed to determine the natural frequency according to the bearing stiffness and operation speed change. This study aims to establish the pump reliability through critical speed, stability, and unbalance response analysis.

  3. Modelling fruit-temperature dynamics within apple tree crowns using virtual plants.

    Science.gov (United States)

    Saudreau, M; Marquier, A; Adam, B; Sinoquet, H

    2011-10-01

    Fruit temperature results from a complex system involving the climate, the tree architecture, the fruit location within the tree crown and the fruit thermal properties. Despite much theoretical and experimental evidence for large differences (up to 10 °C in sunny conditions) between fruit temperature and air temperature, fruit temperature is never used in horticultural studies. A way of modelling fruit-temperature dynamics from climate data is addressed in this work. The model is based upon three-dimensional virtual representation of apple trees and links three-dimensional virtual trees with a physical-based fruit-temperature dynamical model. The overall model was assessed by comparing model outputs to field measures of fruit-temperature dynamics. The model was able to simulate both the temperature dynamics at fruit scale, i.e. fruit-temperature gradients and departure from air temperature, and at the tree scale, i.e. the within-tree-crown variability in fruit temperature (average root mean square error value over fruits was 1·43 °C). This study shows that linking virtual plants with the modelling of the physical plant environment offers a relevant framework to address the modelling of fruit-temperature dynamics within a tree canopy. The proposed model offers opportunities for modelling effects of the within-crown architecture on fruit thermal responses in horticultural studies.

  4. Molecular dynamics simulations of lysozyme in water/sugar solutions

    Energy Technology Data Exchange (ETDEWEB)

    Lerbret, A. [Department of Food Science, Cornell University, 101 Stocking Hall, Ithaca, NY 14853 (United States); Affouard, F. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires, UMR CNRS 8024, Universite Lille I, 59655 Villeneuve d' Ascq Cedex (France)], E-mail: frederic.affouard@univ-lille1.fr; Bordat, P. [Laboratoire de Chimie Theorique et de Physico-Chimie Moleculaire, UMR 5624, Universite de Pau et des Pays de l' Adour, 64000 Pau (France); Hedoux, A.; Guinet, Y.; Descamps, M. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires, UMR CNRS 8024, Universite Lille I, 59655 Villeneuve d' Ascq Cedex (France)

    2008-04-18

    Structural and dynamical properties of the solvent at the protein/solvent interface have been investigated by molecular dynamics simulations of lysozyme in trehalose, maltose and sucrose solutions. Results are discussed in the framework of the bioprotection phenomena. The analysis of the relative concentration of water oxygen atoms around lysozyme suggests that lysozyme is preferentially hydrated. When comparing the three sugars, trehalose is seen more excluded than maltose and sucrose. The preferential exclusion of sugars from the protein surface induces some differences in the behavior of trehalose and maltose, particularly at 50 and 60 wt% concentrations, that are not observed experimentally in binary sugar/mixtures. The dynamical slowing down of the solvent is suggested to mainly arise from the homogeneity of the water/sugar matrices controlled by the percolation of the sugar hydrogen bonds networks. Furthermore, lysozyme strongly increases relaxation times of solvent molecules at the protein/solvent interface.

  5. Modeling the influence of snow cover temperature and water content on wet-snow avalanche runout

    Directory of Open Access Journals (Sweden)

    C. Vera Valero

    2018-03-01

    Full Text Available Snow avalanche motion is strongly dependent on the temperature and water content of the snow cover. In this paper we use a snow cover model, driven by measured meteorological data, to set the initial and boundary conditions for wet-snow avalanche calculations. The snow cover model provides estimates of snow height, density, temperature and liquid water content. This information is used to prescribe fracture heights and erosion heights for an avalanche dynamics model. We compare simulated runout distances with observed avalanche deposition fields using a contingency table analysis. Our analysis of the simulations reveals a large variability in predicted runout for tracks with flat terraces and gradual slope transitions to the runout zone. Reliable estimates of avalanche mass (height and density in the release and erosion zones are identified to be more important than an exact specification of temperature and water content. For wet-snow avalanches, this implies that the layers where meltwater accumulates in the release zone must be identified accurately as this defines the height of the fracture slab and therefore the release mass. Advanced thermomechanical models appear to be better suited to simulate wet-snow avalanche inundation areas than existing guideline procedures if and only if accurate snow cover information is available.

  6. Understanding the Complexity of Temperature Dynamics in Xinjiang, China, from Multitemporal Scale and Spatial Perspectives

    Directory of Open Access Journals (Sweden)

    Jianhua Xu

    2013-01-01

    Full Text Available Based on the observed data from 51 meteorological stations during the period from 1958 to 2012 in Xinjiang, China, we investigated the complexity of temperature dynamics from the temporal and spatial perspectives by using a comprehensive approach including the correlation dimension (CD, classical statistics, and geostatistics. The main conclusions are as follows (1 The integer CD values indicate that the temperature dynamics are a complex and chaotic system, which is sensitive to the initial conditions. (2 The complexity of temperature dynamics decreases along with the increase of temporal scale. To describe the temperature dynamics, at least 3 independent variables are needed at daily scale, whereas at least 2 independent variables are needed at monthly, seasonal, and annual scales. (3 The spatial patterns of CD values at different temporal scales indicate that the complex temperature dynamics are derived from the complex landform.

  7. Nano-confined water in the interlayers of hydrocalumite: Reorientational dynamics probed by neutron spectroscopy and molecular dynamics computer simulations

    Science.gov (United States)

    Kalinichev, A. G.; Faraone, A.; Udovic, T.; Kolesnikov, A. I.; de Souza, N. R.; Reinholdt, M. X.; Kirkpatrick, R.

    2008-12-01

    Layered double hydroxides (LDHs, anionic clays) represent excellent model systems for detailed molecular- level studies of the structure, dynamics, and energetics of nano-confined water in mineral interlayers and nano-pores, because LDH interlayers can have a well-defined structures and contain H2O molecules and a wide variety of anions in structurally well-defined positions and coordinations. [Ca2Al(OH)6]Cl·2H2O, also known as hydrocalumite or Friedel's salt, has a well- ordered Ca,Al distribution in the hydroxide layer and a very high degree of H2O,Cl ordering in the interlayer. It is also one of the only LDH phase for which a single crystal structure refinement is available. Thus, it is currently the best model compound for understanding the structure and dynamical behavior of interlayer and surface species in other, less-ordered, LDHs. We investigated the structural and dynamic behavior of water in the interlayers of hydrocalumite using inelastic (INS) and quasielastic (QENS) neutron scattering and molecular dynamics computer simulations. The comperehensive neutron scattering studies were performed for one fully hydrated and one dehydrated sample of hydrocalumite using several complementary instruments (HFBS, DCS and FANS at NCNR; HRMECS and QENS at IPNS) at temperatures above and below the previously discovered order-disorder interlayer phase transition. Together the experimental and molecular modeling results capture the important details of the dynamics of nano-confined water and the effects of the orientational ordering of H2O molecules above and below the phase transition. They provide otherwise unobtainable experimental information about the transformation of H2O librational and diffusional modes across the order-disorder phase transition and significantly add to our current understanding of the structure and dynamics of water in LDH phases based on the earlier NMR, IR, X-ray, and calorimetric measurements. The approach can now be extended to probe the

  8. Structure and dynamics of water and lipid molecules in charged anionic DMPG lipid bilayer membranes

    DEFF Research Database (Denmark)

    Rønnest, A. K.; Peters, Günther H.J.; Hansen, Flemming Yssing

    2016-01-01

    Molecular dynamics simulations have been used to investigate the influence of the valency of counter-ions on the structure of freestanding bilayer membranes of the anionic 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG) lipid at 310 K and 1 atm. At this temperature, the membrane is in the fluid...... compared to experimental results and used to determine an average diffusion constant for all water molecules in the system. On extrapolating the diffusion constants inferred experimentally to a temperature of 310 K, reasonable agreement with the simulations is obtained. However, the experiments do not have...... the sensitivity to confirm the diffusion of a small component of water bound to the lipids as found in the simulations. In addition, the orientation of the dipole moment of the water molecules has been determined as a function of their depth in the membrane. Previous indirect estimates of the electrostatic...

  9. Environmental variation, vegetation distribution, carbon dynamics and water/energy exchange at high latitudes

    Science.gov (United States)

    McGuire, A.D.; Wirth, C.; Apps, M.; Beringer, J.; Clein, J.; Epstein, H.; Kicklighter, D.W.; Bhatti, J.; Chapin, F. S.; De Groot, B.; Efremov, D.; Eugster, W.; Fukuda, M.; Gower, T.; Hinzman, L.; Huntley, B.; Jia, G.J.; Kasischke, E.; Melillo, J.; Romanovsky, V.; Shvidenko, A.; Vaganov, E.; Walker, D.

    2002-01-01

    The responses of high latitude ecosystems to global change involve complex interactions among environmental variables, vegetation distribution, carbon dynamics, and water and energy exchange. These responses may have important consequences for the earth system. In this study, we evaluated how vegetation distribution, carbon stocks and turnover, and water and energy exchange are related to environmental variation spanned by the network of the IGBP high latitude transects. While the most notable feature of the high latitude transects is that they generally span temperature gradients from southern to northern latitudes, there are substantial differences in temperature among the transects. Also, along each transect temperature co-varies with precipitation and photosynthetically active radiation, which are also variable among the transects. Both climate and disturbance interact to influence latitudinal patterns of vegetation and soil carbon storage among the transects, and vegetation distribution appears to interact with climate to determine exchanges of heat and moisture in high latitudes. Despite limitations imposed by the data we assembled, the analyses in this study have taken an important step toward clarifying the complexity of interactions among environmental variables, vegetation distribution, carbon stocks and turnover, and water and energy exchange in high latitude regions. This study reveals the need to conduct coordinated global change studies in high latitudes to further elucidate how interactions among climate, disturbance, and vegetation distribution influence carbon dynamics and water and energy exchange in high latitudes.

  10. Dynamic Self-Assembly Induced Rapid Dissolution of Cellulose at Low Temperatures

    International Nuclear Information System (INIS)

    Cai, J.; Zhang, L.; Liu, S.; Liu, Y.; Xu, X.; Chen, X.; Chu, B.; Guo, X.; Xu, J.

    2008-01-01

    Cellulose can be dissolved in precooled (-12 C) 7 wt % NaOH-12 wt % urea aqueous solution within 2 min. This interesting process, to our knowledge, represents the most rapid dissolution of native cellulose. The results from 13C NMR, 15N NMR, 1H NMR, FT-IR, small-angle neutron scattering (SANS), transmission electron microscopy (TEM), and wide-angle X-ray diffraction (WAXD) suggested that NaOH 'hydrates' could be more easily attracted to cellulose chains through the formation of new hydrogen-bonded networks at low temperatures, while the urea hydrates could not be associated directly with cellulose. However, the urea hydrates could possibly be self-assembled at the surface of the NaOH hydrogen-bonded cellulose to form an inclusion complex (IC), leading to the dissolution of cellulose. Scattering experiments, including dynamic and static light scattering, indicated that most cellulose molecules, with limited amounts of aggregation, could exist as extended rigid chains in dilute solution. Further, the cellulose solution was relatively unstable and could be very sensitive to temperature, polymer concentration, and storage time, leading to additional aggregations. TEM images and WAXD provided experimental evidence on the formation of a wormlike cellulose IC being surrounded with urea. Therefore, we propose that the cellulose dissolution at -12 C could arise as a result of a fast dynamic self-assembly process among solvent small molecules (NaOH, urea, and water) and the cellulose macromolecules.

  11. Measuring centimeter-resolution air temperature profiles above land and water using fiber-optic Distributed Temperature Sensing

    Science.gov (United States)

    Sigmund, Armin; Pfister, Lena; Olesch, Johannes; Thomas, Christoph K.

    2016-04-01

    The precise determination of near-surface air temperature profiles is of special importance for the characterization of airflows (e.g. cold air) and the quantification of sensible heat fluxes according to the flux-gradient similarity approach. In contrast to conventional multi-sensor techniques, measuring temperature profiles using fiber-optic Distributed Temperature Sensing (DTS) provides thousands of measurements referenced to a single calibration standard at much reduced costs. The aim of this work was to enhance the vertical resolution of Raman scatter DTS measurements up to the centimeter-scale using a novel approach for atmospheric applications: the optical fiber was helically coiled around a meshed fabric. In addition to testing the new fiber geometry, we quantified the measurement uncertainty and demonstrated the benefits of the enhanced-resolution profiles. The fiber-optic cable was coiled around a hollow column consisting of white reinforcing fabric supported by plexiglass rings every meter. Data from two columns of this type were collected for 47 days to measure air temperature vertically over 3.0 and 5.1 m over a gently inclined meadow and over and in a small lake, respectively. Both profiles had a vertical resolution of 1 cm in the lower section near the surface and 5 cm in the upper section with an along-fiber instrument-specific averaging of 1.0 m and a temporal resolution of 30 s. Measurement uncertainties, especially from conduction between reinforcing fabric and fiber-optic cable, were estimated by modeling the fiber temperature via a detailed energy balance approach. Air temperature, wind velocity and radiation components were needed as input data and measured separately. The temperature profiles revealed valuable details, especially in the lowest 1 m above surface. This was best demonstrated for nighttime observations when artefacts due to solar heating did not occur. For example, the dynamics of a cold air layer was detected in a clear night

  12. Effect of water table dynamics on land surface hydrologic memory

    Science.gov (United States)

    Lo, Min-Hui; Famiglietti, James S.

    2010-11-01

    The representation of groundwater dynamics in land surface models has received considerable attention in recent years. Most studies have found that soil moisture increases after adding a groundwater component because of the additional supply of water to the root zone. However, the effect of groundwater on land surface hydrologic memory (persistence) has not been explored thoroughly. In this study we investigate the effect of water table dynamics on National Center for Atmospheric Research Community Land Model hydrologic simulations in terms of land surface hydrologic memory. Unlike soil water or evapotranspiration, results show that land surface hydrologic memory does not always increase after adding a groundwater component. In regions where the water table level is intermediate, land surface hydrologic memory can even decrease, which occurs when soil moisture and capillary rise from groundwater are not in phase with each other. Further, we explore the hypothesis that in addition to atmospheric forcing, groundwater variations may also play an important role in affecting land surface hydrologic memory. Analyses show that feedbacks of groundwater on land surface hydrologic memory can be positive, negative, or neutral, depending on water table dynamics. In regions where the water table is shallow, the damping process of soil moisture variations by groundwater is not significant, and soil moisture variations are mostly controlled by random noise from atmospheric forcing. In contrast, in regions where the water table is very deep, capillary fluxes from groundwater are small, having limited potential to affect soil moisture variations. Therefore, a positive feedback of groundwater to land surface hydrologic memory is observed in a transition zone between deep and shallow water tables, where capillary fluxes act as a buffer by reducing high-frequency soil moisture variations resulting in longer land surface hydrologic memory.

  13. Water dynamics in a bean crop (Phaseolus vulgaris)

    International Nuclear Information System (INIS)

    Calvache, Marcelo; Garcia, Carlos.

    1987-01-01

    The dynamics of water was studied at 'La Tola', Experimental Teaching Center of the Central University of Ecuador, in a Sandy-Ioan, typic Haplustoll soil, in wich beans were growing. All the components of the crop water balance were determined. Real evapotranspiration was in direct relation to the growth of the crop, reaching its maximum value of 4.9 mm day-1, at pod setting, then decreasing slowly until maturation of the kernels. Up to 1 meter depth, water loss by drainage depended on rainfall, reaching up to 24% of the total water loss: the soil layer supplying most of the water for the use of the crop was between 0-40 cm, where the root activity was greatest

  14. Transcriptome Dynamics of Pseudomonas putida KT2440 under Water Stress

    DEFF Research Database (Denmark)

    Gülez, Gamze; Dechesne, Arnaud; Workman, Christopher

    2012-01-01

    Water deprivation can be a major stressor to microbial life in surface and subsurface soil. In unsaturated soils, the matric potential (Ψm) is often the main component of the water potential, which measures the thermodynamic availability of water. A low matric potential usually translates...... into water forming thin liquid films in the soil pores. Little is known of how bacteria respond to such conditions, where, in addition to facing water deprivation that might impair their metabolism, they have to adapt their dispersal strategy as swimming motility may be compromised. Using the pressurized...... porous surface model (PPSM), which allows creation of thin liquid films by controlling Ψm, we examined the transcriptome dynamics of Pseudomonas putida KT2440. We identified the differentially expressed genes in cells exposed to a mild matric stress (–0.4 MPa) for 4, 24, or 72 h. The major response...

  15. Hot Water after the Cold War – Water Policy Dynamics in (Semi-Authoritarian States

    Directory of Open Access Journals (Sweden)

    Peter P. Mollinga

    2010-10-01

    Full Text Available This introductory article of the special section introduces the central question that the section addresses: do water policy dynamics in (semi-authoritarian states have specific features as compared to other state forms? The article situates the question in the post-Cold War global water governance dynamics, argues that the state is a useful and required entry point for water policy analysis, explores the meaning of (semi-authoritarian as a category, and finally introduces the three papers, which are on China, South Africa and Vietnam.

  16. Similar temperature dependencies of glycolytic enzymes : An evolutionary adaptation to temperature dynamics?

    NARCIS (Netherlands)

    Cruz, L.A.B.; Hebly, M.; Duong, G.H.; Wahl, S.A.; Pronk, J.T.; Heijnen, J.J.; Daran-Lapujade, P.; Van Gulik, W.M.

    2012-01-01

    Background Temperature strongly affects microbial growth, and many microorganisms have to deal with temperature fluctuations in their natural environment. To understand regulation strategies that underlie microbial temperature responses and adaptation, we studied glycolytic pathway kinetics in

  17. Understanding water: Molecular dynamics simulations of solubilized and crystallized myoglobin

    Energy Technology Data Exchange (ETDEWEB)

    Wei Gu; Garcia, A.E.; Schoenborn, B.P. [Los Alamos National Laboratory, NM (United States)

    1994-12-31

    Molecular dynamics simulations were performed on CO myoglobin to evaluate the stability of the bound water molecules as determined in a neutron diffraction analysis. The myoglobin structure derived from the neutron analysis provided the starting coordinate set used in the simulations. The simulations show that only a few water molecules are tightly bound to protein atoms, while most solvent molecules are labile, breaking and reforming hydrogen bonds. Comparison between myoglobin in solution and in a single crystal highlighted some of the packing effects on the solvent structure and shows that water solvent plays an indispensable role in protein dynamics and structural stability. The described observations explain some of the differences in the experimental results of protein hydration as observed in NMR, neutron and X-ray diffraction studies.

  18. Understanding water: Molecular dynamics simulations of solubilized and crystallized myoglobin

    International Nuclear Information System (INIS)

    Wei Gu; Garcia, A.E.; Schoenborn, B.P.

    1994-01-01

    Molecular dynamics simulations were performed on CO myoglobin to evaluate the stability of the bound water molecules as determined in a neutron diffraction analysis. The myoglobin structure derived from the neutron analysis provided the starting coordinate set used in the simulations. The simulations show that only a few water molecules are tightly bound to protein atoms, while most solvent molecules are labile, breaking and reforming hydrogen bonds. Comparison between myoglobin in solution and in a single crystal highlighted some of the packing effects on the solvent structure and shows that water solvent plays an indispensable role in protein dynamics and structural stability. The described observations explain some of the differences in the experimental results of protein hydration as observed in NMR, neutron and X-ray diffraction studies

  19. Effect of water electrolysis temperature of hydrogen production system using direct coupling photovoltaic and water electrolyzer

    Directory of Open Access Journals (Sweden)

    Tetsuhiko Maeda

    2016-01-01

    Full Text Available We propose control methods of a photovoltaic (PV-water electrolyzer (ELY system that generates hydrogen by controlling the number of ELY cells. The advantage of this direct coupling between PV and ELY is that the power loss of DC/DC converter is avoided. In this study, a total of 15 ELY cells are used. In the previous researches, the electrolyzer temperature was constantly controlled with a thermostat. Actually, the electrolyzer temperature is decided by the balance of the electrolysis loss and the heat loss to the outside. Here, the method to control the number of ELY cells was investigated. Maximum Power Point Tracking efficiency of more than 96% was achieved without ELY temperature control. Furthermore we construct a numerical model taking into account of ELY temperature. Using this model, we performed a numerical simulation of 1-year. Experimental data and the simulation results shows the validity of the proposed control method.

  20. Modelling Anopheles gambiae s.s. Population Dynamics with Temperature- and Age-Dependent Survival

    Directory of Open Access Journals (Sweden)

    Céline Christiansen-Jucht

    2015-05-01

    Full Text Available Climate change and global warming are emerging as important threats to human health, particularly through the potential increase in vector- and water-borne diseases. Environmental variables are known to affect substantially the population dynamics and abundance of the poikilothermic vectors of disease, but the exact extent of this sensitivity is not well established. Focusing on malaria and its main vector in Africa, Anopheles gambiae sensu stricto, we present a set of novel mathematical models of climate-driven mosquito population dynamics motivated by experimental data suggesting that in An. gambiae, mortality is temperature and age dependent. We compared the performance of these models to that of a “standard” model ignoring age dependence. We used a longitudinal dataset of vector abundance over 36 months in sub-Saharan Africa for comparison between models that incorporate age dependence and one that does not, and observe that age-dependent models consistently fitted the data better than the reference model. This highlights that including age dependence in the vector component of mosquito-borne disease models may be important to predict more reliably disease transmission dynamics. Further data and studies are needed to enable improved fitting, leading to more accurate and informative model predictions for the An. gambiae malaria vector as well as for other disease vectors.

  1. A survey of reference electrodes for high temperature waters

    International Nuclear Information System (INIS)

    Molander, A.; Eriksson, Sture; Pein, K.

    2000-11-01

    In nuclear power plants, corrosion potential measurements are used to follow the conditions for different corrosion types in reactor systems, particularly IGSCC in BWRs. The goal of this work has been to give a survey of reference electrodes for high temperature water, both those that are used for nuclear environments and those that are judged to possible future development. The reference electrodes that are used today in nuclear power plants for corrosion potential measurements are of three types. Silver chloride electrodes, membrane electrodes and platinum electrodes (hydrogen electrodes). The principals for their function is described as well as the conversion of measured potentials to the SHE scale (Standard Hydrogen Electrode). Silver chloride electrodes consist of an inner reference system of silver chloride in equilibrium with a chloride solution. The silver chloride electrode is the most common reference electrode and can be used in several different systems. Platinum electrodes are usually more robust and are particularly suitable to use in BWR environment to follow the hydrogen dosage, but have limitations at low and no hydrogen dosage. Ceramic membrane electrodes can be with different types of internal reference system. They were originally developed for pH measurements in high temperature water. If pH is constant, the membrane electrode can be used as reference electrode. A survey of ceramic reference electrodes for high temperature water is given. A ceramic membrane of the type used works as an oxygen conductor, so the potential and pH in surrounding medium is in equilibrium with the internal reference system. A survey of the lately development of electrodes is presented in order to explain why the different types of electrodes are developed as well as to give a background to the possibilities and limitations with the different electrodes. Possibilities of future development of electrodes are also given. For measurements at low or no hydrogen dosage

  2. Analysis of the dynamics of a boiling water nuclear reactor

    International Nuclear Information System (INIS)

    Castillo D, R.

    1996-01-01

    The March-Leuba lineal reduced model is represented mathematically by a differential equations system, which corresponds to the direct transfer function, punctual kinetics approximation, neutron field dynamics, heat transfer in fuels, and channel dynamics approximation that relates the fuel temperature changes to the reactivity changes by vacuums. The model presents significant differences in one of the equation coefficients. The Pade order approximation used for the equation deduction for the channel has a different behavior to the exponential one for long periods of bubble residence. (Author)

  3. Water Quality Dynamics of Urban Water Bodies during Flooding in Can Tho City, Vietnam

    Directory of Open Access Journals (Sweden)

    Hong Quan Nguyen

    2017-04-01

    Full Text Available Water pollution associated with flooding is one of the major problems in cities in the global South. However, studies of water quality dynamics during flood events are not often reported in literature, probably due to difficult conditions for sampling during flood events. Water quality parameters in open water (canals, rivers, and lakes, flood water on roads and water in sewers have been monitored during the extreme fluvial flood event on 7 October 2013 in the city of Can Tho, Vietnam. This is the pioneering study of urban flood water pollution in real time in Vietnam. The results showed that water quality is very dynamic during flooding, especially at the beginning of the event. In addition, it was observed that the pathogen and contaminant levels in the flood water are almost as high as in sewers. The findings show that population exposed to flood water runs a health risk that is nearly equal to that of being in contact with sewer water. Therefore, the people of Can Tho not only face physical risk due to flooding, but are also exposed to health risks.

  4. Characterization of the glass transition of water predicted by molecular dynamics simulations using nonpolarizable intermolecular potentials.

    Science.gov (United States)

    Kreck, Cara A; Mancera, Ricardo L

    2014-02-20

    Molecular dynamics simulations allow detailed study of the experimentally inaccessible liquid state of supercooled water below its homogeneous nucleation temperature and the characterization of the glass transition. Simple, nonpolarizable intermolecular potentials are commonly used in classical molecular dynamics simulations of water and aqueous systems due to their lower computational cost and their ability to reproduce a wide range of properties. Because the quality of these predictions varies between the potentials, the predicted glass transition of water is likely to be influenced by the choice of potential. We have thus conducted an extensive comparative investigation of various three-, four-, five-, and six-point water potentials in both the NPT and NVT ensembles. The T(g) predicted from NPT simulations is strongly correlated with the temperature of minimum density, whereas the maximum in the heat capacity plot corresponds to the minimum in the thermal expansion coefficient. In the NVT ensemble, these points are instead related to the maximum in the internal pressure and the minimum of its derivative, respectively. A detailed analysis of the hydrogen-bonding properties at the glass transition reveals that the extent of hydrogen-bonds lost upon the melting of the glassy state is related to the height of the heat capacity peak and varies between water potentials.

  5. Molecular dynamics study of methane hydrate formation at a water/methane interface.

    Science.gov (United States)

    Zhang, Junfang; Hawtin, R W; Yang, Ye; Nakagava, Edson; Rivero, M; Choi, S K; Rodger, P M

    2008-08-28

    We present molecular dynamics simulation results of a liquid water/methane interface, with and without an oligomer of poly(methylaminoethylmethacrylate), PMAEMA. PMAEMA is an active component of a commercial low dosage hydrate inhibitor (LDHI). Simulations were performed in the constant NPT ensemble at temperatures of 220, 235, 240, 245, and 250 K and a pressure of 300 bar. The simulations show the onset of methane hydrate growth within 30 ns for temperatures below 245 K in the methane/water systems; at 240 K there is an induction period of ca. 20 ns, but at lower temperatures growth commences immediately. The simulations were analyzed to calculate hydrate content, the propensity for hydrogen bond formation, and how these were affected by both temperature and the presence of the LDHI. As expected, both the hydrogen bond number and hydrate content decreased with increasing temperature, though little difference was observed between the lowest two temperatures considered. In the presence of PMAEMA, the temperature below which sustained hydrate growth occurred was observed to decrease. Some of the implications for the role of PMAEMA in LDHIs are discussed.

  6. Investigation of Temperature Dynamics in Small and Shallow Reservoirs, Case Study: Lake Binaba, Upper East Region of Ghana

    Directory of Open Access Journals (Sweden)

    Ali Abbasi

    2016-03-01

    Full Text Available An unsteady fully three-dimensional model of Lake Binaba (a shallow small reservoir in semi-arid Upper East Region of Ghana has been developed to simulate its temperature dynamics. The model developed is built on the Reynolds Averaged Navier–Stokes (RANS equations, utilizing the Boussinesq approach. As the results of the model are significantly affected by the physical conditions on the boundaries, allocating appropriate boundary conditions, particularly over a water surface, is essential in simulating the lake’s thermal structure. The thermal effects of incoming short-wave radiation implemented as a heat source term in the temperature equation, while the heat fluxes at the free water surface, which depend on wind speed, air temperature, and atmospheric stability conditions are considered as temperature boundary condition. The model equations were solved using OpenFOAM CFD toolbox. As the flow is completely turbulent, which is affected by the complex boundary conditions, a new heat transfer solver and turbulence model were developed to investigate the spatial and temporal distribution of temperature in small and shallow inland water bodies using improved time-dependent boundary conditions. The computed temperature values were compared with four days of observed field data. Simulated and observed temperature profiles show reasonable agreement where the root mean square error (RMSE over the simulation period ranges from 0.11 to 0.44 °C in temporal temperature profiles with an average value of 0.33 °C. Results indicate that the model is able to simulate the flow variables and the temperature distribution in small inland water bodies with complex bathymetry.

  7. Dynamics of implanted muons at low temperatures in white tin

    International Nuclear Information System (INIS)

    Solt, G.; Zimmermann, U.; Herlach, D.

    2008-01-01

    The low temperature lattice site of the implanted μ + particle and its subsequent delocalization at higher temperatures was investigated in single crystal white tin for 2 + was found to reside at the interstitial sites of type d. With increasing temperature thermally activated hopping sets in at T=48±2K, resulting in complete delocalization near 60 K. The activation energy for hopping, E a =113±15meV, is substantially higher than that found previously for the equally tetragonal indium

  8. Water geochemistry to estimate reservoir temperature of Stabio springs, Switzerland

    Science.gov (United States)

    Pera, Sebastian; Soma, Linda

    2017-04-01

    The Mendrisiotto region located in Southern Switzerland and close to the Italian border, is characterized by the presence of a thick sequence of Mesozoic limestones and dolostones above a volcanic rocks from Permian (Bernoulli, 1964). Within the carbonates, fractures and dissolution processes increased limestone permeability and favored the widespread presence of springs. The presence of few localized H2S and CH4 bearing springs is known from historical times in Stabio. Its localization is related to the faulting affecting the area (Balderer et Al., 2007). These waters were classified by Greber et Al. (1997) as Na-(Ca)-(Mg)-HCO3-Cl-(SO4) type with having a total dissolved solid content in the range of 0.8 and 1.2 gl-1. According with Balderer et Al. (2007) the stable isotopic composition deviates from the global meteoric water line (IAEA, 1984) being the values of δ18O and δ2H respectively 0.8 ‰ and 5‰ lower than the normal shallow groundwater of the area. The values of δ13C of TDIC (-1.54‰ 1.44 ) indicate exchange with CO2 of thermo - metamorphic or even Mantle origin. While 14C in TDIC (7.95, 26.0 pMC) and 3H (1.1 ±0.7, 3.1±0.7 TU) indicates uprising of deep water along faults with some mixing. To estimate reservoir temperature, a new sampling was conducted in 2015 for chemical and isotopic analysis. The sampling was carried out from the only source that allows getting water directly from the dolostone in order to avoid mixing. Although some differences are noticed respect to previous studies, the results show a substantial agreement for stable isotopic composition of water, δ13C and 14C of TDIC. Reservoir temperature was calculated by using several geothermometers. The results show a great variability ranging from 60 ˚ C using Silica to more than 500 ˚ C using cationic ( Na - Ca) geothermometers; indicating that besides mixing, exchange processes and chemical reactions along flow path affect results. This study was partially funded by Azienda

  9. Sensitivity of Sump Water Temperature to Containment Integrity

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Misuk; Kim, Seoung Rae [Nuclear Engineering Service and Solution, Daejeon (Korea, Republic of)

    2014-05-15

    This paper is focused on the containment behavior analysis in the above described cases using GOTHIC-IST (generation of thermal-hydraulic information for containments, industry standard toolset). GOTHIC-IST version 7.2a is an integrated, general purpose thermal-hydraulics software package for design, licensing, safety and operating analysis of nuclear power plant containments and other confinement buildings. In this study, we perform the sensitivity the sump water temperature to containment integrity. For 35% RIH break accident with the malfunction of spray system, local air coolers, ECC(emergency core cooling) pump and heat exchanger, the peak pressure at boiler room do not exceed the design pressure 124kPa(g) of the containment and containment integrity is secured. If accompanied the malfunction of heat exchanger or pump in the time of low pressure safety injection, of ECCS, it will be one of the aggravating factors to the integrity of core and containment.

  10. Dynamic high-temperature characterization of an iridium alloy in tension

    Energy Technology Data Exchange (ETDEWEB)

    Song, Bo [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Nelson, Kevin [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Jin, Helena [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Lipinski, Ronald J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bignell, John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ulrich, G. B. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); George, E. P. [Ruhr Univ., Bochum (Germany)

    2015-09-01

    Iridium alloys have been utilized as structural materials for certain high-temperature applications, due to their superior strength and ductility at elevated temperatures. The mechanical properties, including failure response at high strain rates and elevated temperatures of the iridium alloys need to be characterized to better understand high-speed impacts at elevated temperatures. A DOP-26 iridium alloy has been dynamically characterized in compression at elevated temperatures with high-temperature Kolsky compression bar techniques. However, the dynamic high-temperature compression tests were not able to provide sufficient dynamic high-temperature failure information of the iridium alloy. In this study, we modified current room-temperature Kolsky tension bar techniques for obtaining dynamic tensile stress-strain curves of the DOP-26 iridium alloy at two different strain rates (~1000 and ~3000 s-1) and temperatures (~750°C and ~1030°C). The effects of strain rate and temperature on the tensile stress-strain response of the iridium alloy were determined. The DOP-26 iridium alloy exhibited high ductility in stress-strain response that strongly depended on both strain rate and temperature.

  11. Dynamic Stabilization of Metal Oxide–Water Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    McBriarty, Martin E.; von Rudorff, Guido Falk; Stubbs, Joanne; Eng, Peter; Blumberger, Jochen; Rosso, Kevin M.

    2017-02-08

    Metal oxide growth, dissolution, and redox reactivity depend on the structure and dynamics at the interface with aqueous solution. We present the most definitive analysis to date of the hydrated naturally abundant r-cut (11$\\bar{0}$2) termination of the iron oxide hematite (α-Fe2O3). In situ synchrotron X-ray scattering analysis reveals a ridged lateral arrangement of adsorbed water molecules hydrogen bonded to terminal aquo groups. Large-scale hybrid-functional density functional theory-based molecular dynamics (DFT-MD) simulations show how this structure is dynamically stabilized by picosecond exchange between aquo groups and adsorbed water, even under nominally dry conditions. Surface pKa prediction based on bond valence analysis suggests that water exchange may influence the proton transfer reactions associated with acid/base reactivity at the interface. Our findings rectify inconsistencies between existing models and may be extended to resolving more complex electrochemical phenomena at metal oxide-water interfaces.

  12. Effects of Dimerization of Serratia marcescens Endonuclease on Water Dynamics.

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Chuanying; Beck, Brian W.; Krause, Kurt; Weksberg, Tiffany E.; Pettitt, Bernard M.

    2007-02-15

    The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The dynamics and structure of Serratia marcescens endonuclease and its neighboring solvent are investigated by molecular dynamics (MD). Comparisons are made with structural and biochemical experiments. The dimer form is physiologic and functions more processively than the monomer. We previously found a channel formed by connected clusters of waters from the active site to the dimer interface. Here, we show that dimerization clearly changes correlations in the water structure and dynamics in the active site not seen in the monomer. Our results indicate that water at the active sites of the dimer is less affected compared with bulk solvent than in the monomer where it has much slower characteristic relaxation times. Given that water is a required participant in the reaction, this gives a clear advantage to dimerization in the absence of an apparent ability to use both active sites simultaneously.

  13. Electrochemical corrosion potential and noise measurement in high temperature water

    International Nuclear Information System (INIS)

    Fong, Clinton; Chen, Yaw-Ming; Chu, Fang; Huang, Chia-Shen

    2000-01-01

    Hydrogen water chemistry (HWC) is one of the most important methods in boiling water reactor(BWR) system to mitigate and prevent stress corrosion cracking (SCC) problems of stainless steel components. Currently, the effectiveness of HWC in each BWR is mainly evaluated by the measurement of electrochemical corrosion potentials (ECP) and on-line monitoring of SCC behaviors of stainless steels. The objective of this work was to evaluate the characteristics and performance of commercially available high temperature reference electrodes. In addition, SCC monitoring technique based on electrochemical noise analysis (ECN) was also tested to examine its crack detection capability. The experimental work on electrochemical corrosion potential (ECP) measurements reveals that high temperature external Ag/AgCl reference electrode of highly dilute KCl electrolyte can adequately function in both NWC and HWC environments. The high dilution external Ag/AgCl electrode can work in conjunction with internal Ag/AgCl reference electrode, and Pt electrode to ensure the ECP measurement reliability. In simulated BWR environment, the electrochemical noise tests of SCC were carried out with both actively and passively loaded specimens of type 304 stainless steel with various electrode arrangements. From the coupling current and corrosion potential behaviors of the passive loading tests during immersion test, it is difficult to interpret the general state of stress corrosion cracking based on the analytical results of overall current and potential variations, local pulse patterns, statistical characteristics, or power spectral density of electrochemical noise signals. However, more positive SCC indication was observed in the power spectral density analysis. For aqueous environments of high solution impedance, successful application of electrochemical noise technique for SCC monitoring may require further improvement in specimen designs and analytical methods to enhance detection sensitivity

  14. Effect of drinking water temperature on water intake and performance of dairy calves.

    Science.gov (United States)

    Huuskonen, A; Tuomisto, L; Kauppinen, R

    2011-05-01

    Very limited information is available on the effects of drinking water temperature on dairy calves. Therefore, the present experiment was designed to study the effects on performance, health, and water consumption of dairy calves offered drinking water either warm (16 to 18 °C) or cold (6 to 8 °C). The calves (60 calves/treatment) were housed in an insulated barn in pens (3.0 × 3.5m; 5 calves in each) providing 2.1m(2)/calf. During the experimental period (20 to 195 d of age), the calves had free access to water from an open water bowl (depth 80 mm, diameter 220 mm, 2-L capacity, 1 bowl/pen). During the preweaning period (20 to 75 d of age), all calves received milk replacer (7.5L/calf daily) and had free access to commercial starter, grass silage, and hay. During the postweaning period (75 to 195 d), the weaned calves had free access to grass silage and hay and were given 3 kg/d (air-dry basis) of a commercial concentrate mixture. During the preweaning period, the water intake of the calves offered warm water was 47% higher than that of the calves offered cold water. Water intake in both treatments increased rapidly during weaning and for a few days following weaning. At 180 to 195 d of age, the calves consumed approximately 18 to 20 L of water daily. Calves offered warm water drank 7 and 8% more water during the postweaning period and overall during the experimental period, respectively, compared with those offered cold water. No treatment differences were observed in dry matter or energy intakes, body weight gains, or feed conversion rates. Furthermore, total serum IgG concentrations of the calves did not differ during the preweaning or postweaning periods. Dairy calves consumed more warm than cold water, but the increase in water intake did not influence feed intake, body weight gain, or health parameters. Copyright © 2011 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  15. Validation of the dynamic model for a pressurized water reactor

    International Nuclear Information System (INIS)

    Zwingelstein, Gilles.

    1979-01-01

    Dynamic model validation is a necessary procedure to assure that the developed empirical or physical models are satisfactorily representing the dynamic behavior of the actual plant during normal or abnormal transients. For small transients, physical models which represent isolated core, isolated steam generator and the overall pressurized water reactor are described. Using data collected during the step power changes that occured during the startup procedures, comparisons of experimental and actual transients are given at 30% and 100% of full power. The agreement between the transients derived from the model and those recorded on the plant indicates that the developed models are well suited for use for functional or control studies

  16. Molecular Dynamics Studies of Overbased Detergents on a Water Surface.

    Science.gov (United States)

    Bodnarchuk, M S; Dini, D; Heyes, D M; Breakspear, A; Chahine, S

    2017-07-25

    Molecular dynamics (MD) simulations are reported of model overbased detergent nanoparticles on a model water surface which mimic their behavior on a Langmuir trough or large water droplet in engine oil. The simulations predict that the structure of the nanoparticle on a water surface is different to when it is immersed in a bulk hydrophobic solvent. The surfactant tails are partly directed out of the water, while the carbonate core maximizes its extent of contact with the water. Umbrella sampling calculations of the potential of mean force between two particles showed that they are associated with varying degrees with a maximum binding free energy of ca. 10 k B T for the salicylate stabilized particle, ca. 8 k B T for a sulfurized alkyl phenate stabilized particle, and ca. 5 k B T for a sulfonate stabilized particle. The differences in the strength of attraction depend on the proximity of nearest approach and the energy penalty associated with the disruption of the hydration shell of water molecules around the calcium carbonate core when the two particles approach. This is greatest for the sulfonate particle, which partially loses the surfactant ions to the solution, and least for the salicylate, which forms the weakest water "cage". The particles are separated by a water hydration layer, even at the point of closest approach.

  17. Beaver Mediated Water Table Dynamics in Mountain Peatlands

    Science.gov (United States)

    Karran, D. J.; Westbrook, C.; Bedard-Haughn, A.

    2016-12-01

    Water table dynamics play an important role in the ecological and biogeochemical processes that regulate carbon and water storage in peatlands. Beaver are common in these habitats and the dams they build have been shown to raise water tables in other environments. However, the impact of beaver dams in peatlands, where water tables rest close to the surface, has yet to be determined. We monitored a network of 50 shallow wells in a Canadian Rocky Mountain peatland for 6 years. During this period, a beaver colony was maintaining a number of beaver ponds for four years until a flood event removed the colony from the area and breached some of the dams. Two more years of data were collected after the flood event to assess whether the dams enhanced groundwater storage. Beaver dams raised water tables just as they do in other environments. Furthermore, water tables within 100 meters of beaver dams were more stable than those further away and water table stability overall was greater before the flood event. Our results suggest the presence/absence of beaver in peatlands has implications for groundwater water storage and overall system function.

  18. Design of Water Temperature Control System Based on Single Chip Microcomputer

    Science.gov (United States)

    Tan, Hanhong; Yan, Qiyan

    2017-12-01

    In this paper, we mainly introduce a multi-function water temperature controller designed with 51 single-chip microcomputer. This controller has automatic and manual water, set the water temperature, real-time display of water and temperature and alarm function, and has a simple structure, high reliability, low cost. The current water temperature controller on the market basically use bimetal temperature control, temperature control accuracy is low, poor reliability, a single function. With the development of microelectronics technology, monolithic microprocessor function is increasing, the price is low, in all aspects of widely used. In the water temperature controller in the application of single-chip, with a simple design, high reliability, easy to expand the advantages of the function. Is based on the appeal background, so this paper focuses on the temperature controller in the intelligent control of the discussion.

  19. Water temperature forecasting and estimation using fourier series and communication theory techniques

    International Nuclear Information System (INIS)

    Long, L.L.

    1976-01-01

    Fourier series and statistical communication theory techniques are utilized in the estimation of river water temperature increases caused by external thermal inputs. An example estimate assuming a constant thermal input is demonstrated. A regression fit of the Fourier series approximation of temperature is then used to forecast daily average water temperatures. Also, a 60-day prediction of daily average water temperature is made with the aid of the Fourier regression fit by using significant Fourier components

  20. Solar High Temperature Water-Splitting Cycle with Quantum Boost

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, Robin [SAIC; Davenport, Roger [SAIC; Talbot, Jan [UCSD; Herz, Richard [UCSD; Genders, David [Electrosynthesis Co.; Symons, Peter [Electrosynthesis Co.; Brown, Lloyd [TChemE

    2014-04-25

    A sulfur family chemical cycle having ammonia as the working fluid and reagent was developed as a cost-effective and efficient hydrogen production technology based on a solar thermochemical water-splitting cycle. The sulfur ammonia (SA) cycle is a renewable and sustainable process that is unique in that it is an all-fluid cycle (i.e., with no solids handling). It uses a moderate temperature solar plant with the solar receiver operating at 800°C. All electricity needed is generated internally from recovered heat. The plant would operate continuously with low cost storage and it is a good potential solar thermochemical hydrogen production cycle for reaching the DOE cost goals. Two approaches were considered for the hydrogen production step of the SA cycle: (1) photocatalytic, and (2) electrolytic oxidation of ammonium sulfite to ammonium sulfate in aqueous solutions. Also, two sub-cycles were evaluated for the oxygen evolution side of the SA cycle: (1) zinc sulfate/zinc oxide, and (2) potassium sulfate/potassium pyrosulfate. The laboratory testing and optimization of all the process steps for each version of the SA cycle were proven in the laboratory or have been fully demonstrated by others, but further optimization is still possible and needed. The solar configuration evolved to a 50 MW(thermal) central receiver system with a North heliostat field, a cavity receiver, and NaCl molten salt storage to allow continuous operation. The H2A economic model was used to optimize and trade-off SA cycle configurations. Parametric studies of chemical plant performance have indicated process efficiencies of ~20%. Although the current process efficiency is technically acceptable, an increased efficiency is needed if the DOE cost targets are to be reached. There are two interrelated areas in which there is the potential for significant efficiency improvements: electrolysis cell voltage and excessive water vaporization. Methods to significantly reduce water evaporation are

  1. POSTFUNDOPLICATION DYSPHAGIA CAUSES SIMILAR WATER INGESTION DYNAMICS AS ACHALASIA.

    Science.gov (United States)

    Dantas, Roberto Oliveira; Santos, Carla Manfredi; Cassiani, Rachel Aguiar; Alves, Leda Maria Tavares; Nascimento, Weslania Viviane

    2016-01-01

    - After surgical treatment of gastroesophageal reflux disease dysphagia is a symptom in the majority of patients, with decrease in intensity over time. However, some patients may have persistent dysphagia. - The objective of this investigation was to evaluate the dynamics of water ingestion in patients with postfundoplication dysphagia compared with patients with dysphagia caused by achalasia, idiopathic or consequent to Chagas' disease, and controls. - Thirty-three patients with postfundoplication dysphagia, assessed more than one year after surgery, together with 50 patients with Chagas' disease, 27 patients with idiopathic achalasia and 88 controls were all evaluated by the water swallow test. They drunk, in triplicate, 50 mL of water without breaks while being precisely timed and the number of swallows counted. Also measured was: (a) inter-swallows interval - the time to complete the task, divided by the number of swallows during the task; (b) swallowing flow - volume drunk divided by the time taken; (c) volume of each swallow - volume drunk divided by the number of swallows. - Patients with postfundoplication dysphagia, Chagas' disease and idiopathic achalasia took longer to ingest all the volume, had an increased number of swallows, an increase in interval between swallows, a decrease in swallowing flow and a decrease in water volume of each swallow compared with the controls. There was no difference between the three groups of patients. There was no correlation between postfundoplication time and the results. - It was concluded that patients with postfundoplication dysphagia have similar water ingestion dynamics as patients with achalasia.

  2. Fly ash dynamics in soil-water systems

    International Nuclear Information System (INIS)

    Sharma, S.; Fulekar, M.H.; Jayalakshmi, C.P.

    1989-01-01

    Studies regarding the effluents and coal ashes (or fly ash) resulting from coal burning are numerous, but their disposal and interactions with the soil and water systems and their detailed environmental impact assessment with concrete status reports on a global scale are scanty. Fly ash dynamics in soil and water systems are reviewed. After detailing the physical composition of fly ash, physicochemical changes in soil properties due to fly ash amendment are summarized. Areas covered include texture and bulk density, moisture retention, change in chemical equilibria, and effects of fly ash on soil microorganisms. Plant growth in amended soils is discussed, as well as plant uptake and accumulation of trace elements. In order to analyze the effect of fly ash on the physicochemical properties of water, several factors must be considered, including surface morphology of fly ash, pH of the ash sluice water, pH adjustments, leachability and solubility, and suspended ash and settling. The dynamics of fly ash in water systems is important due to pollution of groundwater resources from toxic components such as trace metals. Other factors summarized are bioaccumulation and biomagnification, human health effects of contaminants, and the impact of radionuclides in fly ash. Future research needs should focus on reduction of the environmental impact of fly ash and increasing utilization of fly ash as a soil amendment. 110 refs., 2 figs., 10 tabs

  3. Evidence on dynamic effects in the water content – water potential relation of building materials

    DEFF Research Database (Denmark)

    Scheffler, Gregor Albrecht; Plagge, Rudolf

    2008-01-01

    static and dynamic moisture storage data and the more pronounced was the corresponding dynamic hysteresis. The paper thus provides clear experimental evidence on dynamic effects in the water content – water potential relation of building materials. By that, data published by previous authors as Topp et......Hygrothermal simulation has become a widely applied tool for the design and assessment of building structures under possible indoor and outdoor climatic conditions. One of the most important prerequisites of such simulations is reliable material data. Different approaches exist here to derive...... the required material functions, i.e. the moisture storage characteristic and the liquid water conductivity, from measured basic properties. The current state of the art in material modelling as well as the corresponding transport theory implies that the moisture transport function is unique...

  4. Orientational order and dynamics of water in bulk and in aqueous solutions of uranyl ions

    International Nuclear Information System (INIS)

    Chopra, Manish; Choudhury, Niharendu

    2014-01-01

    Molecular dynamics simulations in canonical ensemble of aqueous solutions of uranyl nitrate and bulk water at ambient condition have been carried out to investigate orientational order and dynamics of water. The orientational distributions of water around a central water molecule in bulk water and around a uranyl ion in an aqueous uranyl solution have been calculated. Orientational dynamics of water in bulk and in aqueous uranyl nitrate solution have also been analysed. (author)

  5. Similar temperature dependencies of glycolytic enzymes: an evolutionary adaptation to temperature dynamics?

    Directory of Open Access Journals (Sweden)

    Cruz Luisa Ana B

    2012-12-01

    Full Text Available Abstract Background Temperature strongly affects microbial growth, and many microorganisms have to deal with temperature fluctuations in their natural environment. To understand regulation strategies that underlie microbial temperature responses and adaptation, we studied glycolytic pathway kinetics in Saccharomyces cerevisiae during temperature changes. Results Saccharomyces cerevisiae was grown under different temperature regimes and glucose availability conditions. These included glucose-excess batch cultures at different temperatures and glucose-limited chemostat cultures, subjected to fast linear temperature shifts and circadian sinoidal temperature cycles. An observed temperature-independent relation between intracellular levels of glycolytic metabolites and residual glucose concentration for all experimental conditions revealed that it is the substrate availability rather than temperature that determines intracellular metabolite profiles. This observation corresponded with predictions generated in silico with a kinetic model of yeast glycolysis, when the catalytic capacities of all glycolytic enzymes were set to share the same normalized temperature dependency. Conclusions From an evolutionary perspective, such similar temperature dependencies allow cells to adapt more rapidly to temperature changes, because they result in minimal perturbations of intracellular metabolite levels, thus circumventing the need for extensive modification of enzyme levels.

  6. Effects of thermal vapor diffusion on seasonal dynamics of water in the unsaturated zone

    Science.gov (United States)

    Milly, Paul C.D.

    1996-01-01

    The response of water in the unsaturated zone to seasonal changes of temperature (T) is determined analytically using the theory of nonisothermal water transport in porous media, and the solutions are tested against field observations of moisture potential and bomb fallout isotopic (36Cl and 3H) concentrations. Seasonally varying land surface temperatures and the resulting subsurface temperature gradients induce thermal vapor diffusion. The annual mean vertical temperature gradient is close to zero; however, the annual mean thermal vapor flux is downward, because the temperature‐dependent vapor diffusion coefficient is larger, on average, during downward diffusion (occurring at high T) than during upward diffusion (low T). The annual mean thermal vapor flux is shown to decay exponentially with depth; the depth (about 1 m) at which it decays to e−1of its surface value is one half of the corresponding decay depth for the amplitude of seasonal temperature changes. This depth‐dependent annual mean flux is effectively a source of water, which must be balanced by a flux divergence associated with other transport processes. In a relatively humid environment the liquid fluxes greatly exceed the thermal vapor fluxes, so such a balance is readily achieved without measurable effect on the dynamics of water in the unsaturated zone. However, if the mean vertical water flux through the unsaturated zone is very small (theoretical prediction is supported by long‐term field measurements in the Chihuahuan Desert. The analysis also makes predictions, confirmed by the field observations, regarding the seasonal variations of matric potential at a given depth. The conceptual model of unsaturated zone water transport developed here implies the possibility of near‐surface trapping of any aqueous constituent introduced at the surface.

  7. Discharge, water temperature, and water quality of Warm Mineral Springs, Sarasota County, Florida: A retrospective analysis

    Science.gov (United States)

    Metz, Patricia A.

    2016-09-27

    in inland areas, and upward flow toward the surface in coastal areas, such as at Warm Mineral Springs. Warm Mineral Springs is located in a discharge area. Changes in water use in the region have affected the potentiometric surface of the Upper Floridan aquifer. Historical increase in groundwater withdrawals resulted in a 10- to 20-foot regional decline in the potentiometric surface of the Upper Floridan aquifer by May 1975 relative to predevelopment levels and remained at approximately that level in May 2007 in the area of Warm Mineral Springs. Discharge measurements at Warm Mineral Springs (1942–2014) decreased from about 11–12 cubic feet per second in the 1940s to about 6–9 cubic feet per second in the 1970s and remained at about that level for the remainder of the period of record. Similarity of changes in regional water use and discharge at Warm Mineral Springs indicates that basin-scale changes to the groundwater system have affected discharge at Warm Mineral Springs. Water temperature had no significant trend in temperature over the period of record, 1943–2015, and outliers were identified in the data that might indicate inconsistencies in measurement methods or locations.Within the regional groundwater basin, Warm Mineral Springs is influenced by deep Upper Floridan aquifer flow paths that discharge toward the coast. Associated with these flow paths, the groundwater temperatures increase with depth and toward the coast. Multiple lines of evidence indicate that a source of warm groundwater to Warm Mineral Springs is likely the permeable zone of the Avon Park Formation within the Upper Floridan aquifer at a depth of about 1,400 to 1,600 feet, or deeper sources. The permeable zone contains saline groundwater with water temperatures of at least 95 degrees Fahrenheit.The water quality of Warm Mineral Springs, when compared with other springs in Florida had the highest temperature and the greatest mineralized content. Warm Mineral Springs water is

  8. Incorporation of the equilibrium temperature approach in a Soil and Water Assessment Tool hydroclimatological stream temperature model

    Science.gov (United States)

    Du, Xinzhong; Shrestha, Narayan Kumar; Ficklin, Darren L.; Wang, Junye

    2018-04-01

    Stream temperature is an important indicator for biodiversity and sustainability in aquatic ecosystems. The stream temperature model currently in the Soil and Water Assessment Tool (SWAT) only considers the impact of air temperature on stream temperature, while the hydroclimatological stream temperature model developed within the SWAT model considers hydrology and the impact of air temperature in simulating the water-air heat transfer process. In this study, we modified the hydroclimatological model by including the equilibrium temperature approach to model heat transfer processes at the water-air interface, which reflects the influences of air temperature, solar radiation, wind speed and streamflow conditions on the heat transfer process. The thermal capacity of the streamflow is modeled by the variation of the stream water depth. An advantage of this equilibrium temperature model is the simple parameterization, with only two parameters added to model the heat transfer processes. The equilibrium temperature model proposed in this study is applied and tested in the Athabasca River basin (ARB) in Alberta, Canada. The model is calibrated and validated at five stations throughout different parts of the ARB, where close to monthly samplings of stream temperatures are available. The results indicate that the equilibrium temperature model proposed in this study provided better and more consistent performances for the different regions of the ARB with the values of the Nash-Sutcliffe Efficiency coefficient (NSE) greater than those of the original SWAT model and the hydroclimatological model. To test the model performance for different hydrological and environmental conditions, the equilibrium temperature model was also applied to the North Fork Tolt River Watershed in Washington, United States. The results indicate a reasonable simulation of stream temperature using the model proposed in this study, with minimum relative error values compared to the other two models

  9. Dynamic contact angle of water-based titanium oxide nanofluid

    Science.gov (United States)

    2013-01-01

    This paper presents an investigation into spreading dynamics and dynamic contact angle of TiO2-deionized water nanofluids. Two mechanisms of energy dissipation, (1) contact line friction and (2) wedge film viscosity, govern the dynamics of contact line motion. The primary stage of spreading has the contact line friction as the dominant dissipative mechanism. At the secondary stage of spreading, the wedge film viscosity is the dominant dissipative mechanism. A theoretical model based on combination of molecular kinetic theory and hydrodynamic theory which incorporates non-Newtonian viscosity of solutions is used. The model agreement with experimental data is reasonable. Complex interparticle interactions, local pinning of the contact line, and variations in solid–liquid interfacial tension are attributed to errors. PMID:23759071

  10. Mechanisms of Acceleration and Retardation of Water Dynamics by Ions

    Czech Academy of Sciences Publication Activity Database

    Stirnemann, G.; Wernersson, Erik; Jungwirth, Pavel; Laage, D.

    2013-01-01

    Roč. 135, č. 32 (2013), s. 11824-11831 ISSN 0002-7863 R&D Projects: GA ČR GBP208/12/G016 Grant - others:European Research Council(XE) FP7-279977 Institutional support: RVO:61388963 Keywords : ions * water * molecular dynamics * NMR * IR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 11.444, year: 2013

  11. Dynamic microscale temperature gradient in a gold nanorod solution measured by diffraction-limited nanothermometry

    Energy Technology Data Exchange (ETDEWEB)

    Li, Chengmingyue; Gan, Xiaosong; Li, Xiangping; Gu, Min, E-mail: mgu@swin.edu.au [Centre for Micro-Photonics, Faculty of Science, Engineering and Technology, Swinburne University of Technology, Hawthorn, Victoria 3122 (Australia)

    2015-09-21

    We quantify the dynamic microscale temperature gradient in a gold nanorod solution using quantum-dot-based microscopic fluorescence nanothermometry. By incorporating CdSe quantum dots into the solution as a nanothermometer, precise temperature mapping with diffraction-limited spatial resolution and sub-degree temperature resolution is achieved. The acquired data on heat generation and dissipation show an excellent agreement with theoretical simulations. This work reveals an effective approach for noninvasive temperature regulation with localized nanoheaters in microfluidic environment.

  12. Structure and Dynamics of Urea/Water Mixtures Investigated by Vibrational Spectroscopy and Molecular Dynamics Simulation

    Science.gov (United States)

    Carr, J. K.; Buchanan, L. E.; Schmidt, J. R.; Zanni, M. T.; Skinner, J. L.

    2013-01-01

    Urea/water is an archetypical “biological” mixture, and is especially well known for its relevance to protein thermodynamics, as urea acts as a protein denaturant at high concentration. This behavior has given rise to an extended debate concerning urea’s influence on water structure. Based on a variety of methods and of definitions of water structure, urea has been variously described as a structure-breaker, a structure-maker, or as remarkably neutral towards water. Because of its sensitivity to microscopic structure and dynamics, vibrational spectroscopy can help resolve these debates. We report experimental and theoretical spectroscopic results for the OD stretch of HOD/H2O/urea mixtures (linear IR, 2DIR, and pump-probe anisotropy decay) and for the CO stretch of urea-D4/D2O mixtures (linear IR only). Theoretical results are obtained using existing approaches for water, and a modification of a frequency map developed for acetamide. All absorption spectra are remarkably insensitive to urea concentration, consistent with the idea that urea only very weakly perturbs water structure. Both this work and experiments by Rezus and Bakker, however, show that water’s rotational dynamics are slowed down by urea. Analysis of the simulations casts doubt on the suggestion that urea immobilizes particular doubly hydrogen bonded water molecules. PMID:23841646

  13. Measurements of water temperature in fountains as an indicator of potential secondary water pollution caused by Legionella bacteria

    Science.gov (United States)

    Bąk, Joanna

    2018-02-01

    At high air temperatures persisting for a long time, water temperature in the fountains may also increase significantly. This can cause a sudden and significant increase in Legionella bacteria, which results in secondary water contamination. This phenomenon with water - air aerosol generated by fountains can be very dangerous for people. During the test, water temperature measurements in fountains in Poland were made. These research tests was conducted in the spring and summer. The research was conducted in order to determine whether there is a possibility of growth of Legionella bacteria. One of the aims of the study was to determine what temperature range occurs in the fountains and how the temperature changes in the basin of the fountain and when the highest temperature occurs. Single temperature measurements were made and also the temperature distribution was measured during daylight hours. The water temperature in most cases was greater than 20°C, but in no case exceed 26°C. The paper presents also the review about the effect of water temperature on the presence and bacterial growth. The study confirmed the existence of the risk of increasing the number of bacteria of the genus Legionella in the water in the fountains.

  14. Measurements of water temperature in fountains as an indicator of potential secondary water pollution caused by Legionella bacteria

    Directory of Open Access Journals (Sweden)

    Bąk Joanna

    2018-01-01

    Full Text Available At high air temperatures persisting for a long time, water temperature in the fountains may also increase significantly. This can cause a sudden and significant increase in Legionella bacteria, which results in secondary water contamination. This phenomenon with water – air aerosol generated by fountains can be very dangerous for people. During the test, water temperature measurements in fountains in Poland were made. These research tests was conducted in the spring and summer. The research was conducted in order to determine whether there is a possibility of growth of Legionella bacteria. One of the aims of the study was to determine what temperature range occurs in the fountains and how the temperature changes in the basin of the fountain and when the highest temperature occurs. Single temperature measurements were made and also the temperature distribution was measured during daylight hours. The water temperature in most cases was greater than 20°C, but in no case exceed 26°C. The paper presents also the review about the effect of water temperature on the presence and bacterial growth. The study confirmed the existence of the risk of increasing the number of bacteria of the genus Legionella in the water in the fountains.

  15. Effect of surface hydrophobicity on the dynamics of water at the nanoscale confinement: A molecular dynamics simulation study

    International Nuclear Information System (INIS)

    Choudhury, Niharendu

    2013-01-01

    Highlights: • We present atomistic MD simulation of water confined between two paraffin-like plates. • Effect of plate hydrophobicity on the confined water dynamics is investigated. • Diffusivity of confined water is calculated from mean squared displacements. • Rotational dynamics of the confined water has bimodal nature of relaxation. • Monotonic dependence of translational and rotational dynamics on hydrophobicity. - Abstract: We present detailed molecular dynamics simulations of water in and around a pair of plates immersed in water to investigate the effect of degree of hydrophobicity or hydrophilicity of the plates on dynamics of water confined between the two plates. The nature of the plate has been tuned from hydrophobic to hydrophilic and vice versa by varying plate-water dispersion interaction. Analyses of the translational dynamics as performed by calculating mean squared displacements of the confined water reveal a monotonically decreasing trend of the diffusivity with increasing hydrophilicity of the plates. Orientational dynamics of the confined water also follows the same monotonic trend. Although orientational time constant almost does not change with the increase of plate-water dispersion interaction in the hydrophobic regime corresponding to the smaller plate-water attraction, it changes considerably in the hydrophilic regime corresponding to larger plate-water dispersion interactions

  16. Dynamic Stackelberg game model for water rationalization in drought emergency

    Science.gov (United States)

    Kicsiny, R.; Piscopo, V.; Scarelli, A.; Varga, Z.

    2014-09-01

    In water resource management, in case of a limited resource, there is a conflict situation between different consumers. In this paper, a dynamic game-theoretical model is suggested for the solution of such conflict. Let us suppose that in a region, water supply is based on a given aquifer, from which a quantity of effective reserve can be used without damaging the aquifer, and a long drought is foreseen. The use of water is divided between the social sector represented by the local authority, and the production sector, in our case, simplified to a single agricultural producer using water for irrigation; they are the players in the game. For a fixed time period, every day, a given amount is available, from which first the authority, then the producer takes a proportion, which corresponds to the strategy choices of the players. A price function is given, which depends on the total available reserve, the payoffs of both players are quantified as their net incomes for the whole period: for the producer: profit from selling the product minus price of water and tax paid, for the authority: tax received plus the gain for the authority from selling the water bought to the social sector minus price of water purchased. A solution (equilibrium) of the game consists of such strategy choices of both players, with which each player maximizes her/his total payoff (over the whole time horizon of the game) provided that the other player also maximizes her/his own payoff. In the paper, in a mathematical model for the above conflict situation, a deterministic continuum-strategy two-player discrete-time dynamic Stackelberg game with fixed finite time duration and closed-loop information structure is proposed, where the authority is “leader” and the producer is “follower”. The algorithms for the solution of the game are based on recent theoretical results of the authors. Illustrative numerical examples are also given.

  17. Vibrational and orientational dynamics of water in aqueous hydroxide solutions.

    Science.gov (United States)

    Hunger, Johannes; Liu, Liyuan; Tielrooij, Klaas-Jan; Bonn, Mischa; Bakker, Huib

    2011-09-28

    We report the vibrational and orientational dynamics of water molecules in isotopically diluted NaOH and NaOD solutions using polarization-resolved femtosecond vibrational spectroscopy and terahertz time-domain dielectric relaxation measurements. We observe a speed-up of the vibrational relaxation of the O-D stretching vibration of HDO molecules outside the first hydration shell of OH(-) from 1.7 ± 0.2 ps for neat water to 1.0 ± 0.2 ps for a solution of 5 M NaOH in HDO:H(2)O. For the O-H vibration of HDO molecules outside the first hydration shell of OD(-), we observe a similar speed-up from 750 ± 50 fs to 600 ± 50 fs for a solution of 6 M NaOD in HDO:D(2)O. The acceleration of the decay is assigned to fluctuations in the energy levels of the HDO molecules due to charge transfer events and charge fluctuations. The reorientation dynamics of water molecules outside the first hydration shell are observed to show the same time constant of 2.5 ± 0.2 ps as in bulk liquid water, indicating that there is no long range effect of the hydroxide ion on the hydrogen-bond structure of liquid water. The terahertz dielectric relaxation experiments show that the transfer of the hydroxide ion through liquid water involves the simultaneous motion of ~7 surrounding water molecules, considerably less than previously reported for the proton. © 2011 American Institute of Physics

  18. Molecular Dynamics Study of Water Molecules in Interlayer of 14 ^|^Aring; Tobermorite

    KAUST Repository

    Yoon, Seyoon; Monteiro, Paulo J.M.

    2013-01-01

    The molecular structure and dynamics of interlayer water of 14 Å tobermorite are investigated based on molecular dynamics (MD) simulations. Calculated structural parameters of the interlayer water configuration are in good agreement with current

  19. Influence of snow cover distribution on soil temperature and nutrient dynamics in alpine pedoenvironments

    Directory of Open Access Journals (Sweden)

    Ermanno Zanini

    Full Text Available In Alpine sites snow is present on the ground from six to eight months per year in relation to elevation and exposure. Water is therefore immobilized into the solid state for the greater part of the winter season and released to the ground in a short period during spring snowmelt. In these areas, snow distribution exercises a fundamental role in influencing soil temperature and nutrient dynamics, in particular of nitrogen, with great consequences on plant nutrition. The dormant vegetation period, the low temperatures and the persistent snow cover suggest that soil biological activity is only concentrated during summer. As a matter of fact, soils covered with a consistent snow cover are isolated from the air temperature and can not freeze during winter. A snowpack of sufficient thickness, accumulated early in winter, insulates the ground from the surrounding atmosphere maintaining soil temperature closed to 0 °C during the whole winter season. The elevation of the snow line and the shorter permanence of snow on the ground, as a result of global warming (IPCC, 1996, 2001, might reduce the insulation effect of the snowpack, exposing soils of the mountain belt to lower temperatures and to a greater frequency of freeze/thaw cycles, which might alter organic matter dynamics and soil nutrient availability. Such thermal stresses may determine the lysis of microbial cells and the consequent increase of nitrogen and carbon mineralization by the survived microorganisms. Moreover, the freeze/thaw cycles can determine the exposure of exchange surfaces not available before, with release of organic matter of non-microbial origin, which may become available to surviving microorganisms for respiration. The reduced or absent microbial immobilization may cause the accumulation of remarkable amounts of inorganic nitrogen in soil, potentially leachable during spring snowmelt, when plants have not still started the growing season. Changes of snow distribution in

  20. THz Generation Using Fluxon Dynamics in High Temperature Superconductors

    DEFF Research Database (Denmark)

    Pedersen, Niels Falsig; Madsen, S.

    2009-01-01

    We consider THz emission due to fluxon dynamics in a stack of inductively coupled long Josephson junctions connected electrically to a resonant cavity. By comparing to experiments on Josephson junction parametric amplifiers we consider the role of a negative resistance in connection with THz emis...

  1. Molecular dynamics simulations of a flexible polyethylene: a protein-like behaviour in a water solvent

    International Nuclear Information System (INIS)

    Kretov, D.A.; Kholmurodov, Kh.T.

    2005-01-01

    We used molecular dynamics (MD) simulations to study the density and the temperature behaviour of a flexible polyethylene (PE) subjected to various heating conditions and to investigate the PE chain conformational changes in a water solvent. First, we have considered the influence of the heating process on the final state of the polymeric system and the sensitivity of its thermodynamic characteristics (density, energy, etc.) for different heating regimes. For this purpose three different simulations were performed: fast, moderate, and slow heating. Second, we have investigated the PE chain conformational dynamics in water solvent for various simulation conditions and various configurations of the environment. From the obtained results we have got the pictures of the PE dynamical motions in water. We have observed a protein-like behaviour of the PE chain, like that of the DNA and the proteins in water, and have also estimated the rates of the conformational changes. For the MD simulations we used the optimized general-purpose DL P OLY code and the generic DREIDING force field. The MD simulations were performed on the parallel computers and special-purpose MDGRAPE-2 machine

  2. Molecular dynamics simulations of proton-ordered water confined in low-diameter carbon nanotubes.

    Science.gov (United States)

    Li, Shujuan; Schmidt, Burkhard

    2015-03-21

    The present work deals with molecular dynamics simulations of water confined in single-walled carbon nanotubes (CNTs), with emphasis on the proton-ordering of water and its polarization. First, the water occupancy of open-ended armchair and zigzag CNTs immersed in water under ambient NPT conditions is calculated for various water models, and for varying Lennard-Jones parameters of the water-carbon interaction. As a function of the CNT diameter, the water density displays several oscillations before converging to the bulk value. Based on these results, the water structures encapsulated in 10 nm long armchair CNTs (n,n) with 5 ≤ n ≤ 10, are investigated under NVT conditions. Inside the smallest nanotubes (n = 5, 6) highly ferroelectric (FE), quasi-one-dimensional water chains are found while inside the other CNTs water molecules assemble into single-walled ice nanotubes (INTs). There are several, near-degenerate minimum energy INT structures: single helical structures were found for 7 ≤ n ≤ 10, in all cases in FE arrangement. In addition, a double helical INT structure was found for n = 8 with an even higher polarization. Prism-like structures were found only for 8 ≤ n ≤ 10 with various FE, ferrielectric (FI), and antiferroelectric (AF, n = 9, 10) proton ordering. The coexistence of the nearly iso-energetic FE, FI, and AF INT structures separated by high barriers renders the molecular dynamics highly metastable, typically with nanosecond timescales at room temperature. Hence, the replica exchange simulation method is used to obtain populations of different INT states at finite temperatures. Many of the FE INT structures confined in low-diameter CNTs are still prevalent at room temperature. Both helix-helix and helix-prism structural transitions are detected which can be either continuous (around 470 K for n = 8) or discontinuous (at 218 K for n = 9). Also melting-like transitions are found in which the INT structures are disrupted leading to a loss of FE

  3. Prediction of lake surface temperature using the air2water model: guidelines, challenges, and future perspectives

    Directory of Open Access Journals (Sweden)

    Sebastiano Piccolroaz

    2016-04-01

    Full Text Available Water temperature plays a primary role in controlling a wide range of physical, geochemical and ecological processes in lakes, with considerable influences on lake water quality and ecosystem functioning. Being able to reliably predict water temperature is therefore a desired goal, which stimulated the development of models of different type and complexity, ranging from simple regression-based models to more sophisticated process-based numerical models. However, both types of models suffer of some limitations: the first are not able to address some fundamental physical processes as e.g., thermal stratification, while the latter generally require a large amount of data in input, which are not always available. In this work, lake surface temperature is simulated by means of air2water, a hybrid physically-based/statistical model, which is able to provide a robust, predictive understanding of LST dynamics knowing air temperature only. This model showed performances that are comparable with those obtained by using process based models (a root mean square error on the order of 1°C, at daily scale, while retaining the simplicity and parsimony of regression-based models, thus making it a good candidate for long-term applications.The aim of the present work is to provide the reader with useful and practical guidelines for proper use of the air2water model and for critical analysis of results. Two case studies have been selected for the analysis: Lake Superior and Lake Erie. These are clear and emblematic examples of a deep and a shallow temperate lake characterized by markedly different thermal responses to external forcing, thus are ideal for making the results of the analysis the most general and comprehensive. Particular attention is paid to assessing the influence of missing data on model performance, and to evaluating when an observed time series is sufficiently informative for proper model calibration or, conversely, data are too scarce thus

  4. Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution.

    Science.gov (United States)

    Usui, Kota; Hunger, Johannes; Sulpizi, Marialore; Ohto, Tatsuhiko; Bonn, Mischa; Nagata, Yuki

    2015-08-20

    Ab initio molecular dynamics (AIMD) simulations in trimethylamine N-oxide (TMAO)-D2O solution are employed to elucidate the effects of TMAO on the reorientational dynamics of D2O molecules. By decomposing the O-D groups of the D2O molecules into specific subensembles, we reveal that water reorientational dynamics are retarded considerably in the vicinity of the hydrophilic TMAO oxygen (O(TMAO)) atom, due to the O-D···O(TMAO) hydrogen-bond. We find that this reorientational motion is governed by two distinct mechanisms: The O-D group rotates (1) after breaking the O-D···O(TMAO) hydrogen-bond, or (2) together with the TMAO molecule while keeping this hydrogen-bond intact. While the orientational slow-down is prominent in the AIMD simulation, simulations based on force field models exhibit much faster dynamics. The simulated angle-resolved radial distribution functions illustrate that the O-D···O(TMAO) hydrogen-bond has a strong directionality through the sp(3) orbital configuration in the AIMD simulation, and this directionality is not properly accounted for in the force field simulation. These results imply that care must be taken when modeling negatively charged oxygen atoms as single point charges; force field models may not adequately describe the hydration configuration and dynamics.

  5. Developing a Dynamic SPARROW Water Quality Decision Support System Using NASA Remotely-Sensed Products

    Science.gov (United States)

    Al-Hamdan, M. Z.; Smith, R. A.; Hoos, A.; Schwarz, G. E.; Alexander, R. B.; Crosson, W. L.; Srikishen, J.; Estes, M., Jr.; Cruise, J.; Al-Hamdan, A.; Ellenburg, W. L., II; Flores, A.; Sanford, W. E.; Zell, W.; Reitz, M.; Miller, M. P.; Journey, C. A.; Befus, K. M.; Swann, R.; Herder, T.; Sherwood, E.; Leverone, J.; Shelton, M.; Smith, E. T.; Anastasiou, C. J.; Seachrist, J.; Hughes, A.; Graves, D.

    2017-12-01

    The USGS Spatially Referenced Regression on Watershed Attributes (SPARROW) surface water quality modeling system has been widely used for long term, steady state water quality analysis. However, users have increasingly requested a dynamic version of SPARROW that can provide seasonal estimates of nutrients and suspended sediment to receiving waters. The goal of this NASA-funded project is to develop a dynamic decision support system to enhance the southeast SPARROW water quality model and finer-scale dynamic models for selected coastal watersheds through the use of remotely-sensed data and other NASA Land Information System (LIS) products. The spatial and temporal scale of satellite remote sensing products and LIS modeling data make these sources ideal for the purposes of development and operation of the dynamic SPARROW model. Remote sensing products including MODIS vegetation indices, SMAP surface soil moisture, and OMI atmospheric chemistry along with LIS-derived evapotranspiration (ET) and soil temperature and moisture products will be included in model development and operation. MODIS data will also be used to map annual land cover/land use in the study areas and in conjunction with Landsat and Sentinel to identify disturbed areas that might be sources of sediment and increased phosphorus loading through exposure of the bare soil. These data and others constitute the independent variables in a regression analysis whose dependent variables are the water quality constituents total nitrogen, total phosphorus, and suspended sediment. Remotely-sensed variables such as vegetation indices and ET can be proxies for nutrient uptake by vegetation; MODIS Leaf Area Index can indicate sources of phosphorus from vegetation; soil moisture and temperature are known to control rates of denitrification; and bare soil areas serve as sources of enhanced nutrient and sediment production. The enhanced SPARROW dynamic models will provide improved tools for end users to manage water

  6. The study of dynamic force acted on water strider leg departing from water surface

    Science.gov (United States)

    Sun, Peiyuan; Zhao, Meirong; Jiang, Jile; Zheng, Yelong

    2018-01-01

    Water-walking insects such as water striders can skate on the water surface easily with the help of the hierarchical structure on legs. Numerous theoretical and experimental studies show that the hierarchical structure would help water strider in quasi-static case such as load-bearing capacity. However, the advantage of the hierarchical structure in the dynamic stage has not been reported yet. In this paper, the function of super hydrophobicity and the hierarchical structure was investigated by measuring the adhesion force of legs departing from the water surface at different lifting speed by a dynamic force sensor. The results show that the adhesion force decreased with the increase of lifting speed from 0.02 m/s to 0.4 m/s, whose mechanic is investigated by Energy analysis. In addition, it can be found that the needle shape setae on water strider leg can help them depart from water surface easily. Thus, it can serve as a starting point to understand how the hierarchical structure on the legs help water-walking insects to jump upward rapidly to avoid preying by other insects.

  7. The study of dynamic force acted on water strider leg departing from water surface

    Directory of Open Access Journals (Sweden)

    Peiyuan Sun

    2018-01-01

    Full Text Available Water-walking insects such as water striders can skate on the water surface easily with the help of the hierarchical structure on legs. Numerous theoretical and experimental studies show that the hierarchical structure would help water strider in quasi-static case such as load-bearing capacity. However, the advantage of the hierarchical structure in the dynamic stage has not been reported yet. In this paper, the function of super hydrophobicity and the hierarchical structure was investigated by measuring the adhesion force of legs departing from the water surface at different lifting speed by a dynamic force sensor. The results show that the adhesion force decreased with the increase of lifting speed from 0.02 m/s to 0.4 m/s, whose mechanic is investigated by Energy analysis. In addition, it can be found that the needle shape setae on water strider leg can help them depart from water surface easily. Thus, it can serve as a starting point to understand how the hierarchical structure on the legs help water-walking insects to jump upward rapidly to avoid preying by other insects.

  8. Development and application of coupled system dynamics and game theory: A dynamic water conflict resolution method.

    Science.gov (United States)

    Zomorodian, Mehdi; Lai, Sai Hin; Homayounfar, Mehran; Ibrahim, Shaliza; Pender, Gareth

    2017-01-01

    Conflicts over water resources can be highly dynamic and complex due to the various factors which can affect such systems, including economic, engineering, social, hydrologic, environmental and even political, as well as the inherent uncertainty involved in many of these factors. Furthermore, the conflicting behavior, preferences and goals of stakeholders can often make such conflicts even more challenging. While many game models, both cooperative and non-cooperative, have been suggested to deal with problems over utilizing and sharing water resources, most of these are based on a static viewpoint of demand points during optimization procedures. Moreover, such models are usually developed for a single reservoir system, and so are not really suitable for application to an integrated decision support system involving more than one reservoir. This paper outlines a coupled simulation-optimization modeling method based on a combination of system dynamics (SD) and game theory (GT). The method harnesses SD to capture the dynamic behavior of the water system, utilizing feedback loops between the system components in the course of the simulation. In addition, it uses GT concepts, including pure-strategy and mixed-strategy games as well as the Nash Bargaining Solution (NBS) method, to find the optimum allocation decisions over available water in the system. To test the capability of the proposed method to resolve multi-reservoir and multi-objective conflicts, two different deterministic simulation-optimization models with increasing levels of complexity were developed for the Langat River basin in Malaysia. The later is a strategic water catchment that has a range of different stakeholders and managerial bodies, which are however willing to cooperate in order to avoid unmet demand. In our first model, all water users play a dynamic pure-strategy game. The second model then adds in dynamic behaviors to reservoirs to factor in inflow uncertainty and adjust the strategies for

  9. Development and application of coupled system dynamics and game theory: A dynamic water conflict resolution method.

    Directory of Open Access Journals (Sweden)

    Mehdi Zomorodian

    Full Text Available Conflicts over water resources can be highly dynamic and complex due to the various factors which can affect such systems, including economic, engineering, social, hydrologic, environmental and even political, as well as the inherent uncertainty involved in many of these factors. Furthermore, the conflicting behavior, preferences and goals of stakeholders can often make such conflicts even more challenging. While many game models, both cooperative and non-cooperative, have been suggested to deal with problems over utilizing and sharing water resources, most of these are based on a static viewpoint of demand points during optimization procedures. Moreover, such models are usually developed for a single reservoir system, and so are not really suitable for application to an integrated decision support system involving more than one reservoir. This paper outlines a coupled simulation-optimization modeling method based on a combination of system dynamics (SD and game theory (GT. The method harnesses SD to capture the dynamic behavior of the water system, utilizing feedback loops between the system components in the course of the simulation. In addition, it uses GT concepts, including pure-strategy and mixed-strategy games as well as the Nash Bargaining Solution (NBS method, to find the optimum allocation decisions over available water in the system. To test the capability of the proposed method to resolve multi-reservoir and multi-objective conflicts, two different deterministic simulation-optimization models with increasing levels of complexity were developed for the Langat River basin in Malaysia. The later is a strategic water catchment that has a range of different stakeholders and managerial bodies, which are however willing to cooperate in order to avoid unmet demand. In our first model, all water users play a dynamic pure-strategy game. The second model then adds in dynamic behaviors to reservoirs to factor in inflow uncertainty and adjust the

  10. Heat Transport upon River-Water Infiltration investigated by Fiber-Optic High-Resolution Temperature Profiling

    Science.gov (United States)

    Vogt, T.; Schirmer, M.; Cirpka, O. A.

    2010-12-01

    Infiltrating river water is of high relevance for drinking water supply by river bank filtration as well as for riparian groundwater ecology. Quantifying flow patterns and velocities, however, is hampered by temporal and spatial variations of exchange fluxes. In recent years, heat has become a popular natural tracer to estimate exchange rates between rivers and groundwater. Nevertheless, field investigations are often limited by insufficient sensors spacing or simplifying assumptions such as one-dimensional flow. Our interest lies in a detailed local survey of river water infiltration at a restored river section at the losing river Thur in northeast Switzerland. Here, we measured three high-resolution temperature profiles along an assumed flow path by means of distributed temperature sensing (DTS) using fiber optic cables wrapped around poles. Moreover, piezometers were equipped with standard temperature sensors for a comparison to the DTS data. Diurnal temperature oscillations were tracked in the river bed and the riparian groundwater and analyzed by means of dynamic harmonic regression and subsequent modeling of heat transport with sinusoidal boundary conditions to quantify seepage velocities and thermal diffusivities. Compared to the standard temperature sensors, the DTS data give a higher vertical resolution, facilitating the detection of process- and structure-dependent patterns of the spatiotemporal temperature field. This advantage overcompensates the scatter in the data due to instrument noise. In particular, we could demonstrate the impact of heat conduction through the unsaturated zone on the riparian groundwater by the high resolution temperature profiles.

  11. Dynamic modeling and experimental investigation of a high temperature PEM fuel cell stack

    DEFF Research Database (Denmark)

    Nguyen, Gia; Sahlin, Simon Lennart; Andreasen, Søren Juhl

    2016-01-01

    High temperature polymer fuel cells operating at 100 to 200◦C require simple fuel processing and produce high quality heat that can integrate well with domestic heating systems. Because the transportation of hydrogen is challenging, an alternative option is to reform natural gas on site....... This article presents the development of a dynamic model and the comparison with experimental data from a high temperature proton exchange membrane fuel cell stack operating on hydrogen with carbon monoxide concentrations up to 0.8%, and temperatures from 155 to 175◦C. The dynamic response of the fuel cell...... is investigated with simulated reformate gas. The dynamic response of the fuel cell stack was compared with a step change in current from 0.09 to 0.18 and back to 0.09 A/cm2 . This article shows that the dynamic model calculates the voltage at steady state well. The dynamic response for a change in current shows...

  12. Temperature shifts in the Sinai model: static and dynamical effects

    International Nuclear Information System (INIS)

    Sales, Marta; Bouchaud, Jean-Philippe; Ritort, Felix

    2003-01-01

    We study analytically and numerically the role of temperature shifts in the simplest model where the energy landscape is explicitly hierarchical, namely the Sinai model. This model has both attractive features (there are valleys within valleys in a strict self-similar sense), but also one important drawback: there is no phase transition so that the model is, in the large-size limit, effectively at zero temperature. We compute various static chaos indicators, that are found to be trivial in the large-size limit, but exhibit interesting features for finite sizes. Correspondingly, for finite times, some interesting rejuvenation effects, related to the self-similar nature of the potential, are observed. Still, the separation of time scales/length scales with temperature in this model is much weaker than in experimental spin glasses

  13. Measurement and inference of profile soil-water dynamics at different hillslope positions in a semiarid agricultural watershed

    Science.gov (United States)

    Green, Timothy R.; Erskine, Robert H.

    2011-12-01

    Dynamics of profile soil water vary with terrain, soil, and plant characteristics. The objectives addressed here are to quantify dynamic soil water content over a range of slope positions, infer soil profile water fluxes, and identify locations most likely influenced by multidimensional flow. The instrumented 56 ha watershed lies mostly within a dryland (rainfed) wheat field in semiarid eastern Colorado. Dielectric capacitance sensors were used to infer hourly soil water content for approximately 8 years (minus missing data) at 18 hillslope positions and four or more depths. Based on previous research and a new algorithm, sensor measurements (resonant frequency) were rescaled to estimate soil permittivity, then corrected for temperature effects on bulk electrical conductivity before inferring soil water content. Using a mass-conservation method, we analyzed multitemporal changes in soil water content at each sensor to infer the dynamics of water flux at different depths and landscape positions. At summit positions vertical processes appear to control profile soil water dynamics. At downslope positions infrequent overland flow and unsaturated subsurface lateral flow appear to influence soil water dynamics. Crop water use accounts for much of the variability in soil water between transects that are either cropped or fallow in alternating years, while soil hydraulic properties and near-surface hydrology affect soil water variability across landscape positions within each management zone. The observed spatiotemporal patterns exhibit the joint effects of short-term hydrology and long-term soil development. Quantitative methods of analyzing soil water patterns in space and time improve our understanding of dominant soil hydrological processes and provide alternative measures of model performance.

  14. Static and Dynamic Friction Behavior of Candidate High Temperature Airframe Seal Materials

    Science.gov (United States)

    Dellacorte, C.; Lukaszewicz, V.; Morris, D. E.; Steinetz, B. M.

    1994-01-01

    The following report describes a series of research tests to evaluate candidate high temperature materials for static to moderately dynamic hypersonic airframe seals. Pin-on-disk reciprocating sliding tests were conducted from 25 to 843 C in air and hydrogen containing inert atmospheres. Friction, both dynamic and static, was monitored and serves as the primary test measurement. In general, soft coatings lead to excessive static friction and temperature affected friction in air environments only.

  15. Neutron scattering studies of the dynamics of biological systems as a function of hydration, temperature and pressure

    International Nuclear Information System (INIS)

    Trapp, Marcus

    2010-01-01

    Incoherent elastic and quasi-elastic neutron scattering were used to measure membrane and protein dynamics in the nano- to picosecond time and Angstrom length scale. The hydration dependent dynamics of DMPC model membranes was studied using elastic and quasi-elastic neutron scattering. The elastic experiments showed a clear shift of the temperature of the main phase transition to higher temperatures with decreasing hydration level. The performed quasi-elastic measurements demonstrated nicely the influence, hydration has on the diffusive motions of the head lipid groups. Different models are necessary to fit the Q-dependence of the elastic incoherent structure factor and show therefore the reduced mobility as a result of reduced water content. In addition to temperature, pressure as a second thermodynamic variable was used to explore dynamics of DMPC membranes. The ordering introduced by applying pressure has similar effect to decreased hydration, therefore both approaches are complementary. Covering three orders of magnitude in observation time, the dynamics of native AChE and its complexed counterpart in presence of Huperzin A was investigated in the range from 1 ns to 100 ps. The mean square displacements obtained from the elastic data allowed the determination of activation energies and gave evidence that a hierarchy of motions contributes to the enzymatic activity. Diffusion constants and residence times were extracted from the quasi-elastic broadening. (author) [fr

  16. Modelling soil-water dynamics in the rootzone of structured and water-repellent soils

    Science.gov (United States)

    Brown, Hamish; Carrick, Sam; Müller, Karin; Thomas, Steve; Sharp, Joanna; Cichota, Rogerio; Holzworth, Dean; Clothier, Brent

    2018-04-01

    In modelling the hydrology of Earth's critical zone, there are two major challenges. The first is to understand and model the processes of infiltration, runoff, redistribution and root-water uptake in structured soils that exhibit preferential flows through macropore networks. The other challenge is to parametrise and model the impact of ephemeral hydrophobicity of water-repellent soils. Here we have developed a soil-water model, which is based on physical principles, yet possesses simple functionality to enable easier parameterisation, so as to predict soil-water dynamics in structured soils displaying time-varying degrees of hydrophobicity. Our model, WEIRDO (Water Evapotranspiration Infiltration Redistribution Drainage runOff), has been developed in the APSIM Next Generation platform (Agricultural Production Systems sIMulation). The model operates on an hourly time-step. The repository for this open-source code is https://github.com/APSIMInitiative/ApsimX. We have carried out sensitivity tests to show how WEIRDO predicts infiltration, drainage, redistribution, transpiration and soil-water evaporation for three distinctly different soil textures displaying differing hydraulic properties. These three soils were drawn from the UNSODA (Unsaturated SOil hydraulic Database) soils database of the United States Department of Agriculture (USDA). We show how preferential flow process and hydrophobicity determine the spatio-temporal pattern of soil-water dynamics. Finally, we have validated WEIRDO by comparing its predictions against three years of soil-water content measurements made under an irrigated alfalfa (Medicago sativa L.) trial. The results provide validation of the model's ability to simulate soil-water dynamics in structured soils.

  17. Integrating the social sciences to understand human-water dynamics

    Science.gov (United States)

    Carr, G.; Kuil, L., Jr.

    2017-12-01

    Many interesting and exciting socio-hydrological models have been developed in recent years. Such models often aim to capture the dynamic interplay between people and water for a variety of hydrological settings. As such, peoples' behaviours and decisions are brought into the models as drivers of and/or respondents to the hydrological system. To develop and run such models over a sufficiently long time duration to observe how the water-human system evolves the human component is often simplified according to one or two key behaviours, characteristics or decisions (e.g. a decision to move away from a drought or flood area; a decision to pump groundwater, or a decision to plant a less water demanding crop). To simplify the social component, socio-hydrological modellers often pull knowledge and understanding from existing social science theories. This requires them to negotiate complex territory, where social theories may be underdeveloped, contested, dynamically evolving, or case specific and difficult to generalise or upscale. A key question is therefore, how can this process be supported so that the resulting socio-hydrological models adequately describe the system and lead to meaningful understanding of how and why it behaves as it does? Collaborative interdisciplinary research teams that bring together social and natural scientists are likely to be critical. Joint development of the model framework requires specific attention to clarification to expose all underlying assumptions, constructive discussion and negotiation to reach agreement on the modelled system and its boundaries. Mutual benefits to social scientists can be highlighted, i.e. socio-hydrological work can provide insights for further exploring and testing social theories. Collaborative work will also help ensure underlying social theory is made explicit, and may identify ways to include and compare multiple theories. As socio-hydrology progresses towards supporting policy development, approaches that

  18. Temperature Dependence of Lattice Dynamics of Lithium 7

    DEFF Research Database (Denmark)

    Beg, M. M.; Nielsen, Mourits

    1976-01-01

    10% smaller than those at 100 K. Temperature dependences of selected phonons have been studied from 110 K to near the melting point. The energy shifts and phonon linewidths have been evaluated at 293, 383, and 424 K by comparing the widths and energies to those measured at 110 K. The lattice...

  19. Interplay of community dynamics, temperature, and productivity on the hydrogen isotope signatures of lipid biomarkers

    Directory of Open Access Journals (Sweden)

    S. N. Ladd

    2017-09-01

    Full Text Available The hydrogen isotopic composition (δ2H of lipid biomarkers has diverse applications in the fields of paleoclimatology, biogeochemistry, and microbial community dynamics. Large changes in hydrogen isotope fractionation have been observed among microbes with differing core metabolisms, while environmental factors including temperature and nutrient availability can affect isotope fractionation by photoautotrophs. Much effort has gone into studying these effects under laboratory conditions with single species cultures. Moving beyond controlled environments and quantifying the natural extent of these changes in freshwater lacustrine settings and identifying their causes is essential for robust application of δ2H values of common short-chain fatty acids as a proxy of net community metabolism and of phytoplankton-specific biomarkers as a paleohydrologic proxy. This work targets the effect of community dynamics, temperature, and productivity on 2H∕1H fractionation in lipid biomarkers through a comparative time series in two central Swiss lakes: eutrophic Lake Greifen and oligotrophic Lake Lucerne. Particulate organic matter was collected from surface waters at six time points throughout the spring and summer of 2015, and δ2H values of short-chain fatty acids, as well as chlorophyll-derived phytol and the diatom biomarker brassicasterol, were measured. We paired these measurements with in situ incubations conducted with NaH13CO3, which were used to calculate the production rates of individual lipids in lake surface water. As algal productivity increased from April to June, net discrimination against 2H in Lake Greifen increased by as much as 148 ‰ for individual fatty acids. During the same time period in Lake Lucerne, net discrimination against 2H increased by as much as 58 ‰ for individual fatty acids. A large portion of this signal is likely due to a greater proportion of heterotrophically derived fatty acids in the winter and early

  20. Mapping spatial and temporal variation of stream water temperature in the upper Esopus Creek watershed

    Science.gov (United States)

    Chien, H.; McGlinn, L.

    2017-12-01

    The upper Esopus Creek and its tributary streams located in the Catskill Mountain region of New York State provide habitats for cold-adapted aquatic species. However, ongoing global warming may change the stream water temperature within a watershed and disturb the persistence of coldwater habitats. Characterizing thermal regimes within the upper Esopus Creek watershed is important to provide information of thermally suitable habitats for aquatic species. The objectives of this study are to measure stream water temperature and map thermal variability among tributaries to the Esopus Creek and within Esopus Creek. These objectives will be achieved by measuring stream water temperature for at least two years. More than 100 water temperature data loggers have been placed in the upper Esopus Creek and their tributaries to collect 30-minute interval water temperatures. With the measured water temperature, we will use spatial interpolation in ArcGIS to create weekly and monthly water temperature surface maps to evaluate the thermal variation over time and space within the upper Esopus Creek watershed. We will characterize responsiveness of water temperature in tributary streams to air temperature as well. This information of spatial and temporal variation of stream water temperature will assist stream managers with prioritizing management practices that maintain or enhance connectivity of thermally suitable habitats in high priority areas.

  1. Modeling Temperature Dependent Singlet Exciton Dynamics in Multilayered Organic Nanofibers

    DEFF Research Database (Denmark)

    de Sousa, Leonardo Evaristo; de Oliveira Neto, Pedro Henrique; Kjelstrup-Hansen, Jakob

    2018-01-01

    Organic nanofibers have shown potential for application in optoelectronic devices because of the tunability of their optical properties. These properties are influenced by the electronic structure of the molecules that compose the nanofibers, but also by the behavior of the excitons generated...... dynamics in multilayered organic nanofibers. By simulating absorption and emission spectra, the possible Förster transitions are identified. Then, a Kinetic Monte Carlo (KMC) model is employed in combination with a genetic algorithm to theoretically reproduce time resolved photoluminescence measurements...

  2. Dynamic Oil-in-Water Concentration Acquisition on a Pilot-Scaled Offshore Water-Oil Separation Facility

    DEFF Research Database (Denmark)

    Løhndorf, Petar Durdevic; Raju, Chitra Sangaraju; Bram, Mads Valentin

    2017-01-01

    This article is a feasibility study on using fluorescence-based oil-in-water (OiW) monitors for on-line dynamic efficiency measurement of a deoiling hydrocyclone. Dynamic measurements are crucial in the design and validation of dynamic models of the hydrocyclones, and to our knowledge, no dynamic...

  3. Energetics and dynamics of droplet evaporation in high temperature intermediate Reynolds number flows

    Science.gov (United States)

    Renksizbulut, M.

    Nusselt Numbers and drag coefficients of single-component liquid droplets and solid spheres in high temperature, intermediate Reynolds Number flows were investigated. The evaporation of suspended water, Methanol and n-Heptane droplets were followed in laminar air streams up to 1059 K in temperature using a steady-state measurement technique. It is found that the dynamic blowing effect of evaporation causes large reductions in heat transfer rates, and that the film conditions constitute an appropriate reference state for the evaluation of thermophysical properties. The numerical results indicate that the blowing effect of evaporation on momentum transfer is to reduce friction drag very significantly but at the same time increase pressure drag by almost an equal amount; the net effect on the total drag force being only a marginal reduction. In all cases, it is found that thermophysical property variations play a very dominant role in reducing the drag forces acting on cold particles. Results are analysed and a correlation for stagnation-point heat transfer is also presented.

  4. Understanding catchment dynamics through a Space-Society-Water trialectic

    Science.gov (United States)

    Sutherland, Catherine; Jewitt, Graham; Risko, Susan; Hay, Ducan; Stuart-Hill, Sabine; Browne, Michelle

    2017-04-01

    Can healthy catchments be utilized to secure water for the benefit of society? This is a complex question as it requires an understanding of the connections and relations between biophysical, social, political, economic and governance dimensions over space and time in the catchment and must interrogate whether there is 'value' in investing in the catchment natural or ecological infrastructure (EI), how this should be done, where the most valuable EI is located, and whether an investment in EI will generate co-benefits socially, environmentally and economically. Here, we adopt a social ecological relations rather than systems approach to explore these interactions through development of a space-society-water trialectic. Trialectic thinking is challenging as it requires new epistemologies and it challenges conventional modes of thought. It is not ordered or fixed, but rather is constantly evolving, revealing the dynamic relations between the elements under exploration. The construction of knowledge, through detailed scientific research and social learning, which contributes to the understanding and achievement of sustainable water supply, water related resilient economic growth, greater social equity and justice in relation to water and the reduction of environmental risk is illustrated through research in the uMngeni Catchment, South Africa. Using four case studies as a basis, we construct the catchment level society-water-space trialectic as a way of connecting, assembling and comparing the understanding and knowledge that has been produced. The relations in the three elements of the trialectic are constructed through identifying, understanding and analysing the actors, discourses, knowledge, biophysical materialities, issues and spatial connections in the case studies. Together these relations, or multiple trajectories, are assembled to form the society-water-space trialectic, which illuminates the dominant relations in the catchment and hence reveal the leverage

  5. Macroscopic investigation of water volume effects on interfacial dynamic behaviors between clathrate hydrate and water.

    Science.gov (United States)

    Cha, Minjun; Couzis, Alexander; Lee, Jae W

    2013-05-14

    This study investigated the effects of the water volume on the interfacial dynamics between cyclopentane (CP) hydrate and water droplet in a CP/n-decane oil mixture. The adhesion force between CP hydrate and various water droplets was determined using the z-directional microbalance. Through repetition of precise measurements over several cycles from contact to detachment, we observed abnormal wetting behaviors in the capillary bridge during the retraction process when the water drop volume is larger than 100 μL. With the increase in water droplet volumes, the contact force between CP hydrate and water also increases up to 300 μL. However, there is a dramatic reduction of increasing rate in the contact forces over 300 μL of water droplet. With the addition of the surfactants of sodium dodecyl sulfate (SDS) and dodecyltrimethylammonium bromide (DTAB) to the water droplet, the contact force between CP hydrate and solution droplet exhibits a lower value and a transition volume of the contact force comes with a smaller solution volume of 200 μL. The water volume effects on the liquid wetting of the probe and the size of capillary bridges provide important insight into hydrate growth and aggregation/agglomeration in the presence of free water phase inside gas/oil pipelines.

  6. Cavitation in confined water: ultra-fast bubble dynamics

    Science.gov (United States)

    Vincent, Olivier; Marmottant, Philippe

    2012-02-01

    In the hydraulic vessels of trees, water can be found at negative pressure. This metastable state, corresponding to mechanical tension, is achieved by evaporation through a porous medium. It can be relaxed by cavitation, i.e. the sudden nucleation of vapor bubbles. Harmful for the tree due to the subsequent emboli of sap vessels, cavitation is on the contrary used by ferns to eject spores very swiftly. We will focus here on the dynamics of the cavitation bubble, which is of primary importance to explain the previously cited natural phenomena. We use the recently developed method of artificial tress, using transparent hydrogels as the porous medium. Our experiments, on water confined in micrometric hydrogel cavities, show an extremely fast dynamics: bubbles are nucleated at the microsecond timescale. For cavities larger than 100 microns, the bubble ``rings'' with damped oscillations at MHz frequencies, whereas for smaller cavities the oscillations become overdamped. This rich dynamics can be accounted for by a model we developed, leading to a modified Rayleigh-Plesset equation. Interestingly, this model predicts the impossibility to nucleate bubbles above a critical confinement that depends on liquid negative pressure and corresponds to approximately 100 nm for 20 MPa tensions.

  7. Hydro-dynamic damping theory in flowing water

    Science.gov (United States)

    Monette, C.; Nennemann, B.; Seeley, C.; Coutu, A.; Marmont, H.

    2014-03-01

    Fluid-structure interaction (FSI) has a major impact on the dynamic response of the structural components of hydroelectric turbines. On mid-head to high-head Francis runners, the rotor-stator interaction (RSI) phenomenon always has to be considered carefully during the design phase to avoid operational issues later on. The RSI dynamic response amplitudes are driven by three main factors: (1) pressure forcing amplitudes, (2) excitation frequencies in relation to natural frequencies and (3) damping. The prediction of the two first factors has been largely documented in the literature. However, the prediction of fluid damping has received less attention in spite of being critical when the runner is close to resonance. Experimental damping measurements in flowing water on hydrofoils were presented previously. Those results showed that the hydro-dynamic damping increased linearly with the flow. This paper presents development and validation of a mathematical model, based on momentum exchange, to predict damping due to fluid structure interaction in flowing water. The model is implemented as an analytical procedure for simple structures, such as cantilever beams, but is also implemented in more general ways using three different approaches for more complex structures such as runner blades: a finite element procedure, a CFD modal work based approach and a CFD 1DOF approach. The mathematical model and all three implementation approaches are shown to agree well with experimental results.

  8. Impact of Seasonal Variability in Water, Plant and Soil Nutrient Dynamics in Agroecosystems

    Science.gov (United States)

    Pelak, N. F., III; Revelli, R.; Porporato, A. M.

    2017-12-01

    Agroecosystems cover a significant fraction of the Earth's surface, making their water and nutrient cycles a major component of global cycles across spatial and temporal scales. Most agroecosystems experience seasonality via variations in precipitation, temperature, and radiation, in addition to human activities which also occur seasonally, such as fertilization, irrigation, and harvesting. These seasonal drivers interact with the system in complex ways which are often poorly characterized. Crop models, which are widely used for research, decision support, and prediction of crop yields, are among the best tools available to analyze these systems. Though normally constructed as a set of dynamical equations forced by hydroclimatic variability, they are not often analyzed using dynamical systems theory and methods from stochastic ecohydrology. With the goal of developing this viewpoint and thus elucidating the roles of key feedbacks and forcings on system stability and on optimal fertilization and irrigation strategies, we develop a minimal dynamical system which contains the key components of a crop model, coupled to a carbon and nitrogen cycling model, driven by seasonal fluctuations in water and nutrient availability, temperature, and radiation. External drivers include seasonally varying climatic conditions and random rainfall forcing, irrigation and fertilization as well as harvesting. The model is used to analyze the magnitudes and interactions of the effects of seasonality on carbon and nutrient cycles, crop productivity, nutrient export of agroecosystems, and optimal management strategies with reference to productivity, sustainability and profitability. The impact of likely future climate scenarios on these systems is also discussed.

  9. Mapping global surface water inundation dynamics using synergistic information from SMAP, AMSR2 and Landsat

    Science.gov (United States)

    Du, J.; Kimball, J. S.; Galantowicz, J. F.; Kim, S.; Chan, S.; Reichle, R. H.; Jones, L. A.; Watts, J. D.

    2017-12-01

    A method to monitor global land surface water (fw) inundation dynamics was developed by exploiting the enhanced fw sensitivity of L-band (1.4 GHz) passive microwave observations from the Soil Moisture Active Passive (SMAP) mission. The L-band fw (fwLBand) retrievals were derived using SMAP H-polarization brightness temperature (Tb) observations and predefined L-band reference microwave emissivities for water and land endmembers. Potential soil moisture and vegetation contributions to the microwave signal were represented from overlapping higher frequency Tb observations from AMSR2. The resulting fwLBand global record has high temporal sampling (1-3 days) and 36-km spatial resolution. The fwLBand annual averages corresponded favourably (R=0.84, pretrievals showed favourable classification accuracy for water (commission error 31.84%; omission error 28.08%) and land (commission error 0.82%; omission error 0.99%) and seasonal wet and dry periods when compared to independent water maps derived from Landsat-8 imagery. The new fwLBand algorithms and continuing SMAP and AMSR2 operations provide for near real-time, multi-scale monitoring of global surface water inundation dynamics, potentially benefiting hydrological monitoring, flood assessments, and global climate and carbon modeling.

  10. Hydrogen bond dynamical properties of adsorbed liquid water monolayers with various TiO2 interfaces

    Science.gov (United States)

    English, Niall J.; Kavathekar, Ritwik S.; MacElroy, J. M. D.

    2012-12-01

    Equilibrium classical molecular dynamics (MD) simulations have been performed to investigate the hydrogen-bonding kinetics of water in contact with rutile-(110), rutile-(101), rutile-(100), and anatase-(101) surfaces at room temperature (300 K). It was observed that anatase-(101) exhibits the longest-lived hydrogen bonds in terms of overall persistence, followed closely by rutile-(110). The relaxation times, defined as the integral of the autocorrelation of the hydrogen bond persistence function, were also longer for these two cases, while decay of the autocorrelation function was slower. The increased number and overall persistence of hydrogen bonds in the adsorbed water monolayers at these surfaces, particularly for anatase-(101), may serve to promote possible water photolysis activity thereon.

  11. Long-term trends in stratospheric ozone, temperature, and water vapor over the Indian region

    Science.gov (United States)

    Thankamani Akhil Raj, Sivan; Venkat Ratnam, Madineni; Narayana Rao, Daggumati; Venkata Krishna Murthy, Boddam

    2018-01-01

    We have investigated the long-term trends in and variabilities of stratospheric ozone, water vapor and temperature over the Indian monsoon region using the long-term data constructed from multi-satellite (Upper Atmosphere Research Satellite (UARS MLS and HALOE, 1993-2005), Aura Microwave Limb Sounder (MLS, 2004-2015), Sounding of the Atmosphere using Broadband Emission Radiometry (SABER, 2002-2015) on board TIMED (Thermosphere Ionosphere Mesosphere Energetics Dynamics)) observations covering the period 1993-2015. We have selected two locations, namely, Trivandrum (8.4° N, 76.9° E) and New Delhi (28° N, 77° E), covering northern and southern parts of the Indian region. We also used observations from another station, Gadanki (13.5° N, 79.2° E), for comparison. A decreasing trend in ozone associated with NOx chemistry in the tropical middle stratosphere is found, and the trend turned to positive in the upper stratosphere. Temperature shows a cooling trend in the stratosphere, with a maximum around 37 km over Trivandrum (-1.71 ± 0.49 K decade-1) and New Delhi (-1.15 ± 0.55 K decade-1). The observed cooling trend in the stratosphere over Trivandrum and New Delhi is consistent with Gadanki lidar observations during 1998-2011. The water vapor shows a decreasing trend in the lower stratosphere and an increasing trend in the middle and upper stratosphere. A good correlation between N2O and O3 is found in the middle stratosphere (˜ 10 hPa) and poor correlation in the lower stratosphere. There is not much regional difference in the water vapor and temperature trends. However, upper stratospheric ozone trends over Trivandrum and New Delhi are different. The trend analysis carried out by varying the initial year has shown significant changes in the estimated trend.

  12. Nonlinear dynamic model of a gear-rotor-bearing system considering the flash temperature

    Science.gov (United States)

    Gou, Xiangfeng; Zhu, Lingyun; Qi, Changjun

    2017-12-01

    The instantaneous flash temperature is an important factor for gears in service. To investigate the effect of the flash temperature of a tooth surface on the dynamics of the spur gear system, a modified nonlinear dynamic model of a gear-rotor-bearing system is established. The factors such as the contact temperature of the tooth surface, time-varying stiffness, tooth surface friction, backlash, the comprehensive transmission error and so on are considered. The flash temperature of a tooth surface of pinion and gear is formulated according to Blok's flash temperature theory. The mathematical expression of the contact temperature of the tooth surface varied with time is derived and the tooth profile deformation caused by the change of the flash temperature of the tooth surface is calculated. The expression of the mesh stiffness varied with the flash temperature of the tooth surface is derived based on Hertz contact theory. The temperature stiffness is proposed and added to the nonlinear dynamic model of the system. The influence of load on the flash temperature of the tooth surface is analyzed in the parameters plane. The variation of the flash temperature of the tooth surface is studied. The numerical results indicate that the calculated method of the flash temperature of the gear tooth surface is effective and it can reflect the rules for the change of gear meshing temperature and sliding of the gear tooth surface. The effects of frequency, backlash, bearing clearance, comprehensive transmission error and time-varying stiffness on the nonlinear dynamics of the system are analyzed according to the bifurcation diagrams, Top Lyapunov Exponent (TLE) spectrums, phase portraits and Poincaré maps. Some nonlinear phenomena such as periodic bifurcation, grazing bifurcation, quasi-periodic bifurcation, chaos and its routes to chaos are investigated and the critical parameters are identified. The results provide an understanding of the system and serve as a useful reference

  13. Warmer temperatures reduce net carbon uptake, but not water use, in a mature southern Appalachian forest

    Science.gov (United States)

    Increasing air temperature is expected to extend growing season length in temperate, broadleaf forests, leading to potential increases in evapotranspiration and net carbon uptake. However, other key processes affecting water and carbon cycles are also highly temperature-dependent...

  14. Effect of water temperature on biofouling development in reverse osmosis membrane systems

    KAUST Repository

    Farhat, Nadia; Vrouwenvelder, Johannes S.; van Loosdrecht, Mark C.M.; Bucs, Szilard; Staal, Marc

    2016-01-01

    temperatures, different biofilm activities, structures, and quantities were found, indicating that diagnosis of biofouling of membranes operated at different or varying (seasonal) feed water temperatures may be challenging. Membrane installations with a high

  15. Online analysis: Deeper insights into water quality dynamics in spring water.

    Science.gov (United States)

    Page, Rebecca M; Besmer, Michael D; Epting, Jannis; Sigrist, Jürg A; Hammes, Frederik; Huggenberger, Peter

    2017-12-01

    We have studied the dynamics of water quality in three karst springs taking advantage of new technological developments that enable high-resolution measurements of bacterial load (total cell concentration: TCC) as well as online measurements of abiotic parameters. We developed a novel data analysis approach, using self-organizing maps and non-linear projection methods, to approximate the TCC dynamics using the multivariate data sets of abiotic parameter time-series, thus providing a method that could be implemented in an online water quality management system for water suppliers. The (TCC) data, obtained over several months, provided a good basis to study the microbiological dynamics in detail. Alongside the TCC measurements, online abiotic parameter time-series, including spring discharge, turbidity, spectral absorption coefficient at 254nm (SAC254) and electrical conductivity, were obtained. High-density sampling over an extended period of time, i.e. every 45min for 3months, allowed a detailed analysis of the dynamics in karst spring water quality. Substantial increases in both the TCC and the abiotic parameters followed precipitation events in the catchment area. Differences between the parameter fluctuations were only apparent when analyzed at a high temporal scale. Spring discharge was always the first to react to precipitation events in the catchment area. Lag times between the onset of precipitation and a change in discharge varied between 0.2 and 6.7h, depending on the spring and event. TCC mostly reacted second or approximately concurrent with turbidity and SAC254, whereby the fastest observed reaction in the TCC time series occurred after 2.3h. The methodological approach described here enables a better understanding of bacterial dynamics in karst springs, which can be used to estimate risks and management options to avoid contamination of the drinking water. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Influence of water chemistry on IGSCC growth rate of SUS316 under high temperature water

    International Nuclear Information System (INIS)

    Fukumura, Takuya; Terachi, Takumi; Arioka, Koji

    2005-01-01

    The influence of the environment on intergranular stress corrosion crack behavior was examined by performing tensile tests in high-temperature water using cold-water non-sensitized 316 stainless steel. In the constant elongation test, the crack growth rate showed a clear environmental dependence on the concentration of dissolved hydrogen, boric acid and lithium, but no such environmental dependence was observed in the compact tension test. Regarding the influence of the environment on the intergranular stress corrosion crack behavior of non-sensitized 316 stainless steel, it is considered that the environmental factors of dissolved hydrogen (3-45 cc/kgH 2 O), boric acid (500-3500 ppm) and lithium (0.05-10 ppm) greatly affect the initiation process but do not significantly affect the propagation process. (author)

  17. Changes in Stream Water Temperatures in the Chesapeake Bay Region, 1960-2014

    Science.gov (United States)

    This map shows the changes in stream water temperatures in the Chesapeake Bay region from 1960 to 2014. Blue circles represent cooling trends in stream water temperatures, and red circles represent warming trends in stream water temperatures. Data were analyzed by Mike Kolian of EPA in partnership with John Jastram and Karen Rice of the U.S. Geological Survey. For more information: www.epa.gov/climatechange/science/indicators

  18. Dynamics of the vortex state in high temperature superconductors

    International Nuclear Information System (INIS)

    Kapitulnik, A.

    1991-01-01

    The large thermal energy available, the strong anisotropy, and short coherence lengths of high temperature superconductors give rise to new phenomena in the mixed state. The author discusses transport and thermodynamic measurements of high-Tc materials and of model systems. In particular, he uses experiments on two dimensional films to compare and isolate two dimensional effects in the cuprates. By using multilayer systems with similar parameters, he identifies decoupling of the superconducting planes in magnetic fields at temperatures much above the irreversibility line. He shows that if the irreversibility line is to be considered a melting transition line, it implies melting of the solid state into a liquid of three dimensional flux lines. He further uses Monte Carlo simulations to study the structure of the vortex state as well as melting

  19. Temperature dynamics of liquid outside a spherical bubble

    International Nuclear Information System (INIS)

    Sharipov, Vasily

    2011-01-01

    Radial Fourier equation describing temperature distribution outside a spherical bubble is considered. This equation appears from the energy conservation law written for a single bubble. Analytical approximation to the solution of this equation was built for radius and temperature of the surface of the bubble as arbitrary functions of time. In zero-order approximation it is assumed that variation amplitude of bubble radius is much smaller than its value. Together with first-order correction the so obtained solution is in good agreement with numerical results. Reported analytical approximation reduces computation efforts more than 10 times with comparison to the conventional numerical scheme. Finally presented semi-analytical approximation provides a possibility to describe acoustic effects and cavitations being incorporated into the multiphase flow code. (author)

  20. POSTFUNDOPLICATION DYSPHAGIA CAUSES SIMILAR WATER INGESTION DYNAMICS AS ACHALASIA

    Directory of Open Access Journals (Sweden)

    Roberto Oliveira DANTAS

    Full Text Available ABSTRACT Background - After surgical treatment of gastroesophageal reflux disease dysphagia is a symptom in the majority of patients, with decrease in intensity over time. However, some patients may have persistent dysphagia. Objective - The objective of this investigation was to evaluate the dynamics of water ingestion in patients with postfundoplication dysphagia compared with patients with dysphagia caused by achalasia, idiopathic or consequent to Chagas' disease, and controls. Methods - Thirty-three patients with postfundoplication dysphagia, assessed more than one year after surgery, together with 50 patients with Chagas' disease, 27 patients with idiopathic achalasia and 88 controls were all evaluated by the water swallow test. They drunk, in triplicate, 50 mL of water without breaks while being precisely timed and the number of swallows counted. Also measured was: (a inter-swallows interval - the time to complete the task, divided by the number of swallows during the task; (b swallowing flow - volume drunk divided by the time taken; (c volume of each swallow - volume drunk divided by the number of swallows. Results - Patients with postfundoplication dysphagia, Chagas' disease and idiopathic achalasia took longer to ingest all the volume, had an increased number of swallows, an increase in interval between swallows, a decrease in swallowing flow and a decrease in water volume of each swallow compared with the controls. There was no difference between the three groups of patients. There was no correlation between postfundoplication time and the results. Conclusion - It was concluded that patients with postfundoplication dysphagia have similar water ingestion dynamics as patients with achalasia.

  1. Molecular dynamics simulations of radon accumulation in water and oil

    Energy Technology Data Exchange (ETDEWEB)

    Pafong, Elvira; Drossel, Barbara [Institut fuer Festkoerperphysik, Technische Universitaet Darmstadt (Germany)

    2016-07-01

    Radon is a radioactive gas that can enter the human body from air or from ground water. Radon can accumulate to levels that considerably rise the risk of lung cancer while it is also known as a a treatment of various ailments, most notably rheumatoid arthritis. The accumulation of radon differs between tissues, with particularly high concentrations in fatty cells. In order to understand the mechanisms responsible for the different solubility of radon in water and fat, we perform molecular dynamics simulations of radon gas at ambient conditions in contact with a bulk material consisting either of water or oil. We evaluate the diffusion coefficient of radon in both media as well as the equilibrium concentration. The crucial point here is to understand the hydrophobic interaction between water and radon as compared to the dispersive interaction between radon and oil. Therefore, we artificially vary the water charges (i.e., the hydrophobicity) as well as the parameters of the van-der-Waals interaction.

  2. Integrated approach to monitor water dynamics with drones

    Science.gov (United States)

    Raymaekers, Dries; De Keukelaere, Liesbeth; Knaeps, Els; Strackx, Gert; Decrop, Boudewijn; Bollen, Mark

    2017-04-01

    Remote sensing has been used for more than 20 years to estimate water quality in the open ocean and study the evolution of vegetation on land. More recently big improvements have been made to extend these practices to coastal and inland waters, opening new monitoring opportunities, eg. monitoring the impact of dredging activities on the aquatic environment. While satellite sensors can provide complete coverage and historical information of the study area, they are limited in their temporal revisit time and spatial resolution. Therefore, deployment of drones can create an added value and in combination with satellite information increase insights in the dynamics and actors of coastal and aquatic systems. Drones have the advantages of monitoring at high spatial detail (cm scale), with high frequency and are flexible. One of the important water quality parameters is the suspended sediment concentration. However, retrieving sediment concentrations from unmanned systems is a challenging task. The sediment dynamics in the port of Breskens, the Netherlands, were investigated by combining information retrieved from different data sources: satellite, drone and in-situ data were collected, analysed and inserted in sediment models. As such, historical (satellite), near-real time (drone) and predictive (sediment models) information, integrated in a spatial data infrastructure, allow to perform data analysis and can support decision makers.

  3. Nonlinear fluid dynamics of nanoscale hydration water layer

    Science.gov (United States)

    Jhe, Wonho; Kim, Bongsu; Kim, Qhwan; An, Sangmin

    In nature, the hydration water layer (HWL) ubiquitously exists in ambient conditions or aqueous solutions, where water molecules are tightly bound to ions or hydrophilic surfaces. It plays an important role in various mechanisms such as biological processes, abiotic materials, colloidal interaction, and friction. The HWL, for example, can be easily formed between biomaterials since most biomaterials are covered by hydrophilic molecules such as lipid bilayers, and this HWL is expected to be significant to biological and physiological functions. Here (1) we present the general stress tensor of the hydration water layer. The hydration stress tensor provided the platform form for holistic understanding of the dynamic behaviors of the confined HWL including tapping and shear dynamics which are until now individually studied. And, (2) through fast shear velocity ( 1mm/s) experiments, the elastic turbulence caused by elastic property of the HWL is indirectly observed. Our results may contribute to a deeper study of systems where the HWL plays an important role such as biomolecules, colloidal particles, and the MEMS. This work was supported by the National Research Foundation of Korea(NRF) Grant funded by the Korea government(MSIP) (2016R1A3B1908660).

  4. Temperature dependence of water-water and ion-water correlations in bulk water and electrolyte solutions probed by femtosecond elastic second harmonic scattering

    Science.gov (United States)

    Chen, Yixing; Dupertuis, Nathan; Okur, Halil I.; Roke, Sylvie

    2018-06-01

    The temperature dependence of the femtosecond elastic second harmonic scattering (fs-ESHS) response of bulk light and heavy water and their electrolyte solutions is presented. We observe clear temperature dependent changes in the hydrogen (H)-bond network of water that show a decrease in the orientational order of water with increasing temperature. Although D2O has a more structured H-bond network (giving rise to more fs-ESHS intensity), the relative temperature dependence is larger in H2O. The changes are interpreted in terms of the symmetry of H-bonds and are indicators of nuclear quantum effects. Increasing the temperature in electrolyte solutions decreases the influence of the total electrostatic field from ions on the water-water correlations, as expected from Debye-Hückel theory, since the Debye length becomes longer. The effects are, however, 1.9 times (6.3 times) larger than those predicted for H2O (D2O). Since fs-ESHS responses can be computed from known molecular coordinates, our observations provide a unique opportunity to refine quantum mechanical models of water.

  5. Dynamic tensile tests with superimposed ultrasonic oscillations for stainless steel type 321 at room temperature

    International Nuclear Information System (INIS)

    Schinke, B.; Malmberg, T.

    1987-01-01

    In recent years various containment codes for Fast Breeder Reactor accidents have been assessed by comparison with explosion tests in water-filled vessels (COVA experiments). Common to the various codes, a systematic underestimation of the circumferential vessel strains was found. In the COVA tests high frequency pressure oscillations in the ultrasonic range were observed and thus it has been conjectured that the phenomenon of ''acoustic softening'' might be relevant in explaining the discrepancies in the strains. To validate this conjecture a hydro-pneumatic tensile test apparatus was developed which allows dynamic tensile testing at room temperature with and without superimposed ultrasonic oscillations. The dynamic tensile tests on the COVA sheet material (stainless steel AISI 321) without ultrasonic insonation show a linear dependence of the flow stress on the logarithm of the strain rate. The results at low strain rates (10 -3 s -1 ) agree favourably with previous measurements but at high rates (50 s -1 ) at 20% lower flow stress is observed. The dynamic tensile tests with continuous and intermittent insonation show the phenomenon of ''acoustic softening'': The average flow stress is reduced by an amount of about half the oscillating amplitude. At high strain rates the reduction is less. A severe ''acoustic softening'' observed by several authors for various metals at low strain rates was not observed. The experimental results were compared with the theory of the superpositon mechanism assuming a rate-independent elastic-plastic and an elastic-viscoplastic constitutive model. Although the rate-independent model is capable to predict qualitatively some of the observed effects, a better description is obtained with the viscoplastic model. The conclusion is that the ''acoustic softening'' of the COVA material is far too small to explain the discrepancies between measured and computed strains found in the containment code validation studies. (orig.)

  6. Climate, invasive species and land use drive population dynamics of a cold-water specialist

    Science.gov (United States)

    Kovach, Ryan P.; Al-Chokhachy, Robert K.; Whited, Diane C.; Schmetterling, David A.; Dux, Andrew M; Muhlfeld, Clint C.

    2017-01-01

    Climate change is an additional stressor in a complex suite of threats facing freshwater biodiversity, particularly for cold-water fishes. Research addressing the consequences of climate change on cold-water fish has generally focused on temperature limits defining spatial distributions, largely ignoring how climatic variation influences population dynamics in the context of other existing stressors.We used long-term data from 92 populations of bull trout Salvelinus confluentus – one of North America's most cold-adapted fishes – to quantify additive and interactive effects of climate, invasive species and land use on population dynamics (abundance, variability and growth rate).Populations were generally depressed, more variable and declining where spawning and rearing stream habitat was limited, invasive species and land use were prevalent and stream temperatures were highest. Increasing stream temperature acted additively and independently, whereas land use and invasive species had additive and interactive effects (i.e. the impact of one stressor depended on exposure to the other stressor).Most (58%–78%) of the explained variation in population dynamics was attributed to the presence of invasive species, differences in life history and management actions in foraging habitats in rivers, lakes and reservoirs. Although invasive fishes had strong negative effects on populations in foraging habitats, proactive control programmes appeared to effectively temper their negative impact.Synthesis and applications. Long-term demographic data emphasize that climate warming will exacerbate imperilment of cold-water specialists like bull trout, yet other stressors – especially invasive fishes – are immediate threats that can be addressed by proactive management actions. Therefore, climate-adaptation strategies for freshwater biodiversity should consider existing abiotic and biotic stressors, some of which provide potential and realized opportunity for conservation

  7. Dynamic Performance of Maximum Power Point Trackers in TEG Systems Under Rapidly Changing Temperature Conditions

    DEFF Research Database (Denmark)

    Man, E. A.; Sera, D.; Mathe, L.

    2016-01-01

    of the intermittent operation of the internal combustion engine, the TEG and its MPPT controller are exposed to a cyclic temperature profile. Furthermore, there are no guidelines on how fast the MPPT must be under such dynamic conditions. In the work discussed in this paper, temperature gradients for TEG integrated...

  8. Thermal infrared remote sensing of water temperature in riverine landscapes: Chapter 5

    Science.gov (United States)

    Carbonneau, Rebecca N.; Piégay, Hervé; Handcock, R.N; Torgersen, Christian E.; Cherkauer, K.A; Gillespie, A.R; Tockner, K; Faux, R. N.; Tan, Jing

    2012-01-01

    Water temperature in riverine landscapes is an important regional indicator of water quality that is influenced by both ground- and surface-water inputs, and indirectly by land use in the surrounding watershed (Brown and Krygier, 1970; Beschta et al., 1987; Chen et al., 1998; Poole and Berman, 2001). Coldwater fishes such as salmon and trout are sensitive to elevated water temperature; therefore, water temperature must meet management guidelines and quality standards, which aim to create a healthy environment for endangered populations (McCullough et al., 2009). For example, in the USA, the Environmental Protection Agency (EPA) has established water quality standards to identify specific temperature criteria to protect coldwater fishes (Environmental Protection Agency, 2003). Trout and salmon can survive in cool-water refugia even when temperatures at other measurement locations are at or above the recommended maximums (Ebersole et al., 2001; Baird and Krueger, 2003; High et al., 2006). Spatially extensive measurements of water temperature are necessary to locate these refugia, to identify the location of ground- and surface-water inputs to the river channel, and to identify thermal pollution sources. Regional assessment of water temperature in streams and rivers has been limited by sparse sampling in both space and time. Water temperature has typically been measured using a network of widely distributed instream gages, which record the temporal change of the bulk, or kinetic, temperature of the water (Tk) at specific locations. For example, the State of Washington (USA) recorded water quality conditions at 76 stations within the Puget Lowlands eco region, which contains 12,721 km of streams and rivers (Washington Department of Ecology, 1998). Such gages are sparsely distributed, are typically located only in larger streams and rivers, and give limited information about the spatial distribution of water temperature (Cherkauer et al., 2005).

  9. Dynamics of proteins at low temperatures: fibrous vs. globular

    Science.gov (United States)

    Foucat, L.; Renou, J.-P.; Tengroth, C.; Janssen, S.; Middendorf, H. D.

    We have measured quasielastic neutron scattering from H2O-hydrated collagen and haemoglobin at Tτ>10 ps. Relative to haemoglobin, the 200-K dynamic transition is shifted upward by 20-25 K in collagen, and the T-dependence of m.-sq. displacements derived from Sqe(Q;T) suggests that in triple-helical systems there are three rather than two regimes: one up to around 120K (probably purely harmonic), an intermediate quasiharmonic region with a linear dependence up to 240K, followed by a steeper nonlinear rise similar to that in globular proteins.

  10. A hierarchical bayesian model to quantify uncertainty of stream water temperature forecasts.

    Directory of Open Access Journals (Sweden)

    Guillaume Bal

    Full Text Available Providing generic and cost effective modelling approaches to reconstruct and forecast freshwater temperature using predictors as air temperature and water discharge is a prerequisite to understanding ecological processes underlying the impact of water temperature and of global warming on continental aquatic ecosystems. Using air temperature as a simple linear predictor of water temperature can lead to significant bias in forecasts as it does not disentangle seasonality and long term trends in the signal. Here, we develop an alternative approach based on hierarchical Bayesian statistical time series modelling of water temperature, air temperature and water discharge using seasonal sinusoidal periodic signals and time varying means and amplitudes. Fitting and forecasting performances of this approach are compared with that of simple linear regression between water and air temperatures using i an emotive simulated example, ii application to three French coastal streams with contrasting bio-geographical conditions and sizes. The time series modelling approach better fit data and does not exhibit forecasting bias in long term trends contrary to the linear regression. This new model also allows for more accurate forecasts of water temperature than linear regression together with a fair assessment of the uncertainty around forecasting. Warming of water temperature forecast by our hierarchical Bayesian model was slower and more uncertain than that expected with the classical regression approach. These new forecasts are in a form that is readily usable in further ecological analyses and will allow weighting of outcomes from different scenarios to manage climate change impacts on freshwater wildlife.

  11. Dynamic phases of low-temperature low-current driven vortex matter in superconductors

    International Nuclear Information System (INIS)

    Benkraouda, M; Obaidat, I M; Khawaja, U Al; Mulaa, N M J

    2006-01-01

    Using molecular dynamics simulations of vortices in a high-temperature superconductor with square periodic arrays of pinning sites, dynamic phases of the low-current driven vortices are studied at low temperatures. A rough vortex phase diagram of three distinct regimes of vortex flow is proposed. At zero temperature, we obtain a coupled-channel regime where rows of vortices flow coherently in the direction of the driving force. As the temperature is increased, a smooth crossover into an uncoupled-channel regime occurs where the coherence between the flowing rows of vortices becomes weaker. Increasing the temperature further leads to a plastic vortex regime, where the channels of flowing vortices completely disappear. The temperatures of the crossovers between these regimes were found to decrease with the driving force

  12. Analysis of the dynamic of underground water in Agua Verde, Quebrada de Taltal, region of Antofagasta, Chile

    International Nuclear Information System (INIS)

    Rojas, Luis; Lillo, Adrian; Salazar, Carlos; Aguirre, Evelyn

    2003-01-01

    The extreme aridity and geological situation in northern. Chile requires an exhaustive investigation on water resources for supporting rational usage. The Direccion General de Aguas and Comision Chilena de Energia Nuclear have performed studies in arid zones in northern Chile using isotopic and hydrochemical tools. In Quebrada de Taltal's basin, located in one of the must arid arid zones of Chile (Segunda Region de Antofagasta), was studies groundwater dynamics and recharge process from a geochemical approach in terms of water quality, temperature and isotopic composition ( 2 H, 18 O, 3 H, 14 C). The recharge generated above 3000 m a.s.t has a slow dynamics and involve little flow (author)

  13. Water infiltration in an aquifer recharge basin affected by temperature and air entrapment

    OpenAIRE

    Loizeau Sébastien; Rossier Yvan; Gaudet Jean-Paul; Refloch Aurore; Besnard Katia; Angulo-Jaramillo Rafael; Lassabatere Laurent

    2017-01-01

    Artificial basins are used to recharge groundwater and protect water pumping fields. In these basins, infiltration rates are monitored to detect any decrease in water infiltration in relation with clogging. However, miss-estimations of infiltration rate may result from neglecting the effects of water temperature change and air-entrapment. This study aims to investigate the effect of temperature and air entrapment on water infiltration at the basin scale by conducting successive infiltration c...

  14. DYNAMIC DEUTERIUM ENRICHMENT IN COMETARY WATER VIA ELEY–RIDEAL REACTIONS

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Yunxi; Giapis, Konstantinos P., E-mail: giapis@cheme.caltech.edu [Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125 (United States)

    2017-01-20

    The deuterium-to-hydrogen ratio (D/H) in water found in the coma of Jupiter family comet (JFC) 67P/Churyumov–Gerasimenko was reported to be (5.3 ± 0.7) × 10{sup −4}, the highest among comets and three times the value for other JFCs with an ocean-like ratio. This discrepancy suggests the diverse origins of JFCs and clouds the issue of the origin of Earth’s oceanic water. Here we demonstrate that Eley–Rideal reactions between accelerated water ions and deuterated cometary surface analogs can lead to instantaneous deuterium enrichment in water scattered from the surface. The reaction proceeds with H{sub 2}O{sup +} abstracting adsorbed D atoms, forming an excited H{sub 2}DO* state, which dissociates subsequently to produce energetic HDO. Hydronium ions are also produced readily by the abstraction of H atoms, consistent with H{sub 3}O{sup +} detection and abundance in various comets. Experiments with water isotopologs and kinematic analysis on deuterated platinum surfaces confirmed the dynamic abstraction mechanism. The instantaneous fractionation process is independent of the surface temperature and may operate on the surface of cometary nuclei or dust grains, composed of deuterium-rich silicates and carbonaceous chondrites. The requisite energetic water ions have been detected in the coma of 67P in two populations. This dynamic fractionation process may temporarily increase the water D/H ratio, especially as the comet gets closer to the Sun. The magnitude of the effect depends on the water ion energy-flux and the deuterium content of the exposed cometary surfaces.

  15. The annual number of days that solar heated water satisfies a specified demand temperature

    Energy Technology Data Exchange (ETDEWEB)

    Yohanis, Y.G. [Thermal Systems Engineering Group, Faculty of Engineering, University of Ulster, BT37 0QB Northern Ireland (United Kingdom); Popel, O.; Frid, S.E. [Non-traditional Renewable Energy Sources, Institute for High Temperatures, Russian Academy of Sciences, 13/19 Izhorskaya str., IVTAN, Moscow 127412 (Russian Federation); Norton, B. [Dublin Institute of Technology, Aungier Street, Dublin 2 (Ireland)

    2006-08-15

    An analysis of solar water heating systems determines the number of days in each month when solar heated water wholly meets demand above a set temperature. The approach has been used to investigate the potential contribution to water heating loads of solar water heating in two UK locations. Correlations between the approach developed and the use of solar fractions are discussed. (author)

  16. Influence of temperature on spin polarization dynamics in dilute nitride semiconductors—Role of nonparamagnetic centers

    Energy Technology Data Exchange (ETDEWEB)

    Baranowski, M.; Misiewicz, J. [Laboratory for Optical Spectroscopy of Nanostructures, Department of Experimental Physics, Wroclaw University of Technology, Wybrzeze, Wyspianskiego 27, 50-370 Wroclaw (Poland)

    2015-10-21

    We report theoretical studies of spin polarization dynamics in dilute nitride semiconductors. We develop a commonly used rate equation model [Lagarde et al., Phys. Status Solidi A 204, 208 (2007) and Kunold et al. Phys. Rev. B 83, 165202 (2011)] to take into account the influence of shallow localizing states on the temperature dependence of spin polarization dynamics and a spin filtering effect. Presented investigations show that the experimentally observed temperature dependence of a spin polarization lifetime in dilute nitrides can be related to the electron capture process by shallow localizing states without paramagnetic properties. This process reduces the efficiency of spin filtering effect by deep paramagnetic centers, especially at low temperatures.

  17. Seasonal dynamics of water use efficiency of typical forest and grassland ecosystems in China

    CERN Document Server

    Zhu, Xianjin; Wang, Qiufeng; Hu, Zhongmin; Han, Shijie; Yan, Junhua; Wang, Yanfen; Zhao, Liang

    2014-01-01

    We selected four sites of ChinaFLUX representing four major ecosystem types in China-Changbaishan temperate broad-leaved Korean pine mixed forest (CBS), Dinghushan subtropical evergreen broadleaved forest (DHS), Inner Mongolia temperate steppe (NM), and Haibei alpine shrub-meadow (HBGC)-to study the seasonal dynamics of ecosystem water use efficiency (WUE = GPP/ET, where GPP is gross primary productivity and ET is evapotranspiration) and factors affecting it. Our seasonal dynamics results indicated single-peak variation of WUE in CBS, NM, and HBGC, which were affected by air temperature (Ta) and leaf area index (LAI), through their effects on the partitioning of evapotranspiration (ET) into transpiration (T) (i.e., T/ET). In DHS, WUE was higher at the beginning and the end of the year, and minimum in summer. Ta and soil water content affected the seasonal dynamics of WUE through their effects on GPP/T. Our results indicate that seasonal dynamics of WUE were different because factors affecting the seasonal dyn...

  18. Simulating the room-temperature dynamic motion of a ferromagnetic vortex in a bistable potential

    Science.gov (United States)

    Haber, E.; Badea, R.; Berezovsky, J.

    2018-05-01

    The ability to precisely and reliably control the dynamics of ferromagnetic (FM) vortices could lead to novel nonvolatile memory devices and logic gates. Intrinsic and fabricated defects in the FM material can pin vortices and complicate the dynamics. Here, we simulated switching a vortex between bistable pinning sites using magnetic field pulses. The dynamic motion was modeled with the Thiele equation for a massless, rigid vortex subject to room-temperature thermal noise. The dynamics were explored both when the system was at zero temperature and at room-temperature. The probability of switching for different pulses was calculated, and the major features are explained using the basins of attraction map of the two pinning sites.

  19. Fluid dynamic interaction between water hammer and centrifugal pumps

    International Nuclear Information System (INIS)

    Ismaier, A.; Schluecker, E.

    2009-01-01

    Centrifugal pumps generate in piping systems noticeable pressure pulsations. In this paper the dynamic interaction between water hammer and pressure pulsations is presented. The experimental investigations were performed at a piping system with nominal diameter DN 100 (respectively NPS 4) and 75 m total length, built at the Institute for Process Technology and Machinery. Different measurements at this testing facility show that pulsating centrifugal pumps can damp pressure surges generated by fast valve closing. It is also shown that 1-dimensional fluid codes can be used to calculate this phenomenon. Furthermore it is presented that pressure surges pass centrifugal pumps almost unhindered, because they are hydraulic open.

  20. Computational fluid dynamics simulations of light water reactor flows

    International Nuclear Information System (INIS)

    Tzanos, C.P.; Weber, D.P.

    1999-01-01

    Advances in computational fluid dynamics (CFD), turbulence simulation, and parallel computing have made feasible the development of three-dimensional (3-D) single-phase and two-phase flow CFD codes that can simulate fluid flow and heat transfer in realistic reactor geometries with significantly reduced reliance, especially in single phase, on empirical correlations. The objective of this work was to assess the predictive power and computational efficiency of a CFD code in the analysis of a challenging single-phase light water reactor problem, as well as to identify areas where further improvements are needed

  1. Femtosecond dynamics of a cardiotonic medicine (milrinone) in neutral water

    Science.gov (United States)

    Gil, M.; Douhal, A.

    2006-09-01

    Milrinone is a medicine used to attenuate heart attack disease. Understanding its interaction with water is of importance for the knowledge of its stability and related phenomena. This intimate information requires the unraveling of the dynamics under the physiological conditions. Here we report the first study of ultrafast processes of this medicine. We show that S 2 relaxation of the keto structure (K) occurs in ˜150 fs and the intramolecular-charge transfer reaction in less than 100 fs to produce a relaxed CT-K state. An observed ˜10 ps decay is assigned to vibrational relaxation/cooling and twisting in the formed CT-K.

  2. Combined impact of water column oxygen and temperature on internal oxygen status and growth of Zostera marina seedlings and adult shoots

    DEFF Research Database (Denmark)

    Raun, Ane-Marie Løvendahl; Borum, Jens

    2013-01-01

    Eelgrass (Zostera marina L.) occasionally experiences severe die-offs during warm summer periods with variable water column oxygen partial pressures (pO). Eelgrass is known to be very intolerant to tissue anoxia with reduced growth and increasing mortality after ≤12h anoxia in the dark...... at temperatures of ≥25°C. In the present study we experimentally examine the impact of combined water column oxygen and temperature on oxygen dynamics in leaf meristems of seedlings and adult shoots to better understand how stressful environmental conditions affect eelgrass oxygen dynamics and subsequent growth...... and mortality. There was a strong interaction between water column oxygen and temperature on meristem pO implying that eelgrass is rather resistant to unfavorable oxygen conditions in winter but becomes increasingly vulnerable in summer, especially at high temperatures. At 25°C meristems became anoxic...

  3. Effects of Water-Based Training on Static and Dynamic Balance of Older Women.

    Science.gov (United States)

    Bento, Paulo Cesar Barauce; Lopes, Maria de Fátima A; Cebolla, Elaine Cristine; Wolf, Renata; Rodacki, André L F

    2015-08-01

    The aim of this study was to evaluate the effects of a water-based exercise program on static and dynamic balance. Thirty-six older women were randomly assigned to a water-based training (3 days/week for 12 weeks) or control group. Water level was kept at the level of the xiphoid process and temperature at ∼28-30°C. Each session included aerobic activities and lower limb strength exercises. The medial-lateral, the anterior-posterior amplitude, and displacement of the center of pressure (CP-D) were measured in a quiet standing position (60 sec eyes opened and closed). The dynamic balance and 8-Foot Up-and-Go tests were also applied. Group comparisons were made using two-way analysis of variance (ANOVA) with repeated measures. No differences were found in the center of pressure variables; however, the WBT group showed better performance in the 8 Foot Up-and-Go Test after training (5.61±0.76 vs. 5.18±0.42; pwater-based training was effective in improving dynamic balance, but not static balance.

  4. Nitrogen Dynamics Variation in Overlying Water of Jinshan Lake, China

    Directory of Open Access Journals (Sweden)

    Xiaohong Zhou

    2015-01-01

    Full Text Available Jinshan Lake is a famous urban landscape lake with approximately 8.8 km2 water area, which is located on the north of Zhenjiang, of Jiangsu Province, China. Eighteen sampled sites were selected and overlying water was sampled from 2013 to 2014 to study the seasonal and spatial variation of nitrogen in overlying water of Jinshan Lake. Results showed that physicochemical characteristics of temperature, pH, and DO showed high seasonal variation, whereas they had no significant spatial differences in the 18 sampling points (P>0.05 in overlying water of Jinshan Lake. Nitrogen concentrations showed strong seasonal variation trends. The ranked order of TN was as follows: spring > summer > autumn > winter; the order of NH4+-N was as follows: spring > autumn > summer > winter, whereas NO3--N concentrations revealed an inverse seasonal pattern, with maxima occurring in winter and minimal values occurring in spring. Nitrogen concentrations had dramatic spatial changes in 18 sampling points of Jinshan Lake. Physicochemical parameter difference, domestic wastes pollution, and rainfall runoff source may have led to seasonal and spatial fluctuation variations of nitrogen in overlying water of Jinshan Lake, China.

  5. Modeling hydrodynamics, water temperature, and water quality in the Klamath River upstream of Keno Dam, Oregon, 2006-09

    Science.gov (United States)

    Sullivan, Annett B.; Rounds, Stewart A.; Deas, Michael L.; Asbill, Jessica R.; Wellman, Roy E.; Stewart, Marc A.; Johnston, Matthew W.; Sogutlugil, I. Ertugrul

    2011-01-01

    . * Water temperatures ranged from near freezing in winter to near 30 degrees C at some locations and periods in summer; seasonal water temperature patterns were similar at the inflow and outflow. Although vertical temperature stratification was not present at most times and locations, weak stratification could persist for periods up to 1-2 weeks, especially in the downstream parts of the reach. Thermal stratification was important in controlling vertical variations in water quality. * The specific conductance, and thus density, of tributaries within the reach usually was higher than that of the river itself, so that inflows tended to sink below the river surface. This was especially notable for inflows from the Klamath Straits Drain, which tended to sink to the bottom of the Klamath River at its confluence and not mix vertically for several miles downstream. * The model was able to capture most of the seasonal changes in the algal population by modeling that population with three algal groups: blue-green algae, diatoms, and other algae. The blooms of blue-green algae, consisting mostly of Aphanizomenon flos aquae that entered from Upper Klamath Lake, were dominant, dwarfing the populations of the other two algae groups in summer. A large part of the blue-green algae population that entered this reach from upstream tended to settle out, die, and decompose, especially in the upper part of the Link-Keno reach. Diatoms reached a maximum in spring and other algae in midsummer. * Organic matter, occurring in both dissolved and particulate forms, was critical to the water quality of this reach of the Klamath River, and was strongly tied to nutrient and dissolved-oxygen dynamics. Dissolved and particulate organic matter were subdivided into labile (quickly decaying) and refractory (slowing decaying) groups for modeling purposes. The particulate matter in summer, consisting largely of dead blue-green algae, decayed quickly. Consequently, this particulate matt

  6. Contact angle hysteresis and motion behaviors of a water nano-droplet on suspended graphene under temperature gradient

    Science.gov (United States)

    Foroutan, Masumeh; Fatemi, S. Mahmood; Esmaeilian, Farshad; Fadaei Naeini, Vahid; Baniassadi, Majid

    2018-05-01

    In the present work, the effect of temperature gradient on the behavior of a water nano-droplet resting on a suspended graphene was studied based on a non-equilibrium molecular dynamics simulation. The acquired results indicate that the applied temperature gradient to the suspended graphene drives the water nano-droplet to the colder region. The droplet accelerates its motion toward the cold reservoir as the temperature gradient is increased. In addition to the translational motion of the nano-droplet, the vortical motion of the water molecules was also observed. Contact angle analysis was also utilized to describe the directional motion of the nano-droplet. The translational motion of the droplet leads to the estimation of contact angle hysteresis through advancing and receding contact angles while the rotational motion resulted in the advancing and receding fronts being switched with one another through the simulation. The average displacement vector of the water molecules shows that parts of the droplet seem to stagnate while other parts rotate around them. The reason behind this particular behavior was studied based on interaction energy contours between a water molecule and the suspended graphene. The obtained data indicate that the rotational motion is in agreement with the migration of the water molecules to low interaction energy regions in order to avoid high interaction energy areas.

  7. Nonlinear dynamics of homeothermic temperature control in skunk cabbage, Symplocarpus foetidus

    Science.gov (United States)

    Ito, Takanori; Ito, Kikukatsu

    2005-11-01

    Certain primitive plants undergo orchestrated temperature control during flowering. Skunk cabbage, Symplocarpus foetidus, has been demonstrated to maintain an internal temperature of around 20 °C even when the ambient temperature drops below freezing. However, it is not clear whether a unique algorithm controls the homeothermic behavior of S. foetidus, or whether such an algorithm might exhibit linear or nonlinear thermoregulatory dynamics. Here we report the underlying dynamics of temperature control in S. foetidus using nonlinear forecasting, attractor and correlation dimension analyses. It was shown that thermoregulation in S. foetidus was governed by low-dimensional chaotic dynamics, the geometry of which showed a strange attractor named the “Zazen attractor.” Our data suggest that the chaotic thermoregulation in S. foetidus is inherent and that it is an adaptive response to the natural environment.

  8. Study on extreme high temperature of cooling water in Chinese coastal nuclear power plant

    International Nuclear Information System (INIS)

    Yu Fan; Jiang Ziying

    2012-01-01

    In order to protect aquatic life from the harmful effects of thermal discharge, the appropriate water temperature limits or the scope of the mixing zone is a key issue in the regulatory control of the environmental impact of thermal discharge. Based on the sea surface temperature in the Chinese coastal waters, the extreme value of the seawater temperature change was analyzed by using the Gumbel model. The limit of the design temperature rise of cooling water in the outfall is 9 ℃, and the limit of the temperature rise of cooling water in the edge of the mixing zone is 4 ℃. The extreme high temperature of the cooling water in Chinese coastal nuclear power plant is 37 ℃ in the Bohai Sea, Yellow Sea, and is 40 ℃ in East China Sea, South China Sea. (authors)

  9. Zinc sacrificial anode behavior at elevated temperatures in sodium chloride and tap water environments

    International Nuclear Information System (INIS)

    Othman, Othman Mohsen

    2005-01-01

    Zinc sacrificial anode coupled to mild steel was tested in sodium chloride and tap water environments at elevated temperatures. The anode failed to protect the mild steel specimens in tap water environment at all temperatures specified for this study. This was partly due to the high resistivity of the medium. The temperature factor did not help to activate the anode in water tap medium. In sodium chloride environment the anode demonstrated good protection for steel cathodes. In tap water environment the anode weight loss was negligible. The zinc anode suffered intergranular corrosion in sodium chloride environment and this was noticed starting at 40 degree centigrade. In tap water environment the zinc anode demonstrated interesting behavior beyond 60 degree centigrade, that could be attributed to the phenomenon of reversal of potential at elevated temperatures. It also showed shallow pitting spots in tap water environment without any sign of intergranular corrosion. Zinc anodes would suffer intergranular corrosion at high temperatures. (author)

  10. Dynamic Simulation of Water Networks to Control and Reduce Physical Unaccounted-for Water

    Directory of Open Access Journals (Sweden)

    Nima Zorriasateyn

    2005-09-01

    Full Text Available A significant percentage of unaccounted-for water consists of leakage in water distribution networks in Iran. To detect leakage area with less costs and time spending and then identify the exact  place of it with special instruments, would be economical and a better water resource management. In this research, a real case has been selected and examined with dynamic simulation using MIKE NET. The method that has been carried out in this research based on maximizing the correlation coefficient and minimizing the sum of error squares between pressure measured inputs (observed data and calculated pressure (by model. According to the results, dynamic simulation of municipal water distribution system can be used as a guide to determine the place and the amount of leakage.Thereby the area of  large leakage can be simulated with appropriate accuracy through measured pressure. Therefor from management aspect, dynamic simulation can be used to decrease time consumption and to save costs for detecting leakage.

  11. Chicago's water market: Dynamics of demand, prices and scarcity rents

    Science.gov (United States)

    Ipe, V.C.; Bhagwat, S.B.

    2002-01-01

    Chicago and its suburbs are experiencing an increasing demand for water from a growing population and economy and may experience water scarcity in the near future. The Chicago metropolitan area has nearly depleted its groundwater resources to a point where interstate conflicts with Wisconsin could accompany an increased reliance on those sources. Further, the withdrawals from Lake Michigan is limited by the Supreme Court decree. The growing demand and indications of possible scarcity suggest a need to reexamine the pricing policies and the dynamics of demand. The study analyses the demand for water and develops estimates of scarcity rents for water in Chicago. The price and income elasticities computed at the means are -0.002 and 0.0002 respectively. The estimated scarcity rents ranges from $0.98 to $1.17 per thousand gallons. The results indicate that the current prices do not fully account for the scarcity rents and suggest a current rate with in the range $1.53 to $1.72 per thousand gallons.

  12. OTEC Cold Water Pipe-Platform Subsystem Dynamic Interaction Validation

    Energy Technology Data Exchange (ETDEWEB)

    Varley, Robert [Lockheed Martin Corporation, Manassas, VA (United States); Halkyard, John [John Halkyard and Associates, Houston, TX (United States); Johnson, Peter [BMT Scientific Marine Services, Inc., Houston, TX (United States); Shi, Shan [Houston Offshore Engineering, Houston, TX (United States); Marinho, Thiago [Federal Univ. of Rio de Janeiro (Brazil). LabOceano

    2014-05-09

    A commercial floating 100-megawatt (MW) ocean thermal energy conversion (OTEC) power plant will require a cold water pipe (CWP) with a diameter of 10-meter (m) and length of up to 1,000 m. The mass of the cold water pipe, including entrained water, can exceed the mass of the platform supporting it. The offshore industry uses software-modeling tools to develop platform and riser (pipe) designs to survive the offshore environment. These tools are typically validated by scale model tests in facilities able to replicate real at-sea meteorological and ocean (metocean) conditions to provide the understanding and confidence to proceed to final design and full-scale fabrication. However, today’s offshore platforms (similar to and usually larger than those needed for OTEC applications) incorporate risers (or pipes) with diameters well under one meter. Secondly, the preferred construction method for large diameter OTEC CWPs is the use of composite materials, primarily a form of fiber-reinforced plastic (FRP). The use of these material results in relatively low pipe stiffness and large strains compared to steel construction. These factors suggest the need for further validation of offshore industry software tools. The purpose of this project was to validate the ability to model numerically the dynamic interaction between a large cold water-filled fiberglass pipe and a floating OTEC platform excited by metocean weather conditions using measurements from a scale model tested in an ocean basin test facility.

  13. Physicochemical investigation of mixed surfactant microemulsions: water solubilization, thermodynamic properties, microstructure, and dynamics.

    Science.gov (United States)

    Bardhan, Soumik; Kundu, Kaushik; Saha, Swapan K; Paul, Bidyut K

    2013-12-01

    In this contribution, we report on a systematic investigation of phase behavior and solubilization of water in water-in-heptane or decane aggregates stabilized by mixtures of polyoxyethylene (20) cetyl ether (Brij-58) and cetyltrimethylammonium bromide (CTAB) surfactants with varying compositions in conjugation with 1-pentanol (Pn) at fixed surfactant(s)/Pn ratio and temperature. Synergism in water solubilization was evidenced by the addition of CTAB to Brij-58 stabilized system in close proximity of equimolar composition in both oils. An attempt has been made to correlate composition dependent water solubilization and volume induced conductivity studies to provide insight into the solubilization mechanism of these mixed systems. Conductivity studies reveal the ascending curve in water solubilization capacity-(Brij-58:CTAB, w/w) profile as the interdroplet interaction branch indicating percolation of conductance and the descending curve is a curvature branch due to the rigidity of the interface in these systems. The microstructure of these systems as a function of surfactant composition has been determined by dynamic light scattering (DLS) and Fourier transform infrared spectroscopy (FTIR) measurements. FTIR study reveals increase and decrease in relative population of bound and bulk-like water, respectively, with increase in Brij-58:CTAB (w/w). DLS measurements showed that the droplet hydrodynamic diameter (Dh) decreases significantly with the increase in Brij-58:CTAB (w/w). Further, the interfacial composition and energetic parameters for the transfer of Pn from bulk oil to the interface were evaluated by the dilution method. Formation of temperature-insensitive microemulsions and temperature invariant droplet sizes are evidenced in the vicinity of the equimolar composition. The results are interpreted in terms of a proposed mechanism. Copyright © 2013 Elsevier Inc. All rights reserved.

  14. Integrated system dynamics toolbox for water resources planning.

    Energy Technology Data Exchange (ETDEWEB)

    Reno, Marissa Devan; Passell, Howard David; Malczynski, Leonard A.; Peplinski, William J.; Tidwell, Vincent Carroll; Coursey, Don (University of Chicago, Chicago, IL); Hanson, Jason (University of New Mexico, Albuquerque, NM); Grimsrud, Kristine (University of New Mexico, Albuquerque, NM); Thacher, Jennifer (University of New Mexico, Albuquerque, NM); Broadbent, Craig (University of New Mexico, Albuquerque, NM); Brookshire, David (University of New Mexico, Albuquerque, NM); Chemak, Janie (University of New Mexico, Albuquerque, NM); Cockerill, Kristan (Cockeril Consulting, Boone, NC); Aragon, Carlos (New Mexico Univeristy of Technology and Mining (NM-TECH), Socorro, NM); Hallett, Heather (New Mexico Univeristy of Technology and Mining (NM-TECH), Socorro, NM); Vivoni, Enrique (New Mexico Univeristy of Technology and Mining (NM-TECH), Socorro, NM); Roach, Jesse

    2006-12-01

    Public mediated resource planning is quickly becoming the norm rather than the exception. Unfortunately, supporting tools are lacking that interactively engage the public in the decision-making process and integrate over the myriad values that influence water policy. In the pages of this report we document the first steps toward developing a specialized decision framework to meet this need; specifically, a modular and generic resource-planning ''toolbox''. The technical challenge lies in the integration of the disparate systems of hydrology, ecology, climate, demographics, economics, policy and law, each of which influence the supply and demand for water. Specifically, these systems, their associated processes, and most importantly the constitutive relations that link them must be identified, abstracted, and quantified. For this reason, the toolbox forms a collection of process modules and constitutive relations that the analyst can ''swap'' in and out to model the physical and social systems unique to their problem. This toolbox with all of its modules is developed within the common computational platform of system dynamics linked to a Geographical Information System (GIS). Development of this resource-planning toolbox represents an important foundational element of the proposed interagency center for Computer Aided Dispute Resolution (CADRe). The Center's mission is to manage water conflict through the application of computer-aided collaborative decision-making methods. The Center will promote the use of decision-support technologies within collaborative stakeholder processes to help stakeholders find common ground and create mutually beneficial water management solutions. The Center will also serve to develop new methods and technologies to help federal, state and local water managers find innovative and balanced solutions to the nation's most vexing water problems. The toolbox is an important step toward

  15. Dynamic and thermodynamic characteristics associated with the glass transition of amorphous trehalose-water mixtures.

    Science.gov (United States)

    Weng, Lindong; Elliott, Gloria D

    2014-06-21

    The glass transition temperature Tg of biopreservative formulations is important for predicting the long-term storage of biological specimens. As a complementary tool to thermal analysis techniques, which are the mainstay for determining Tg, molecular dynamics simulations have been successfully applied to predict the Tg of several protectants and their mixtures with water. These molecular analyses, however, rarely focused on the glass transition behavior of aqueous trehalose solutions, a subject that has attracted wide scientific attention via experimental approaches. Important behavior, such as hydrogen-bonding dynamics and self-aggregation has yet to be explored in detail, particularly below, or in the vicinity of, Tg. Using molecular dynamics simulations of several dynamic and thermodynamic properties, this study reproduced the supplemented phase diagram of trehalose-water mixtures (i.e., Tg as a function of the solution composition) based on experimental data. The structure and dynamics of the hydrogen-bonding network in the trehalose-water systems were also analyzed. The hydrogen-bonding lifetime was determined to be an order of magnitude higher in the glassy state than in the liquid state, while the constitution of the hydrogen-bonding network exhibited no noticeable change through the glass transition. It was also found that trehalose molecules preferred to form small, scattered clusters above Tg, but self-aggregation was substantially increased below Tg. The average cluster size in the glassy state was observed to be dependent on the trehalose concentration. Our findings provided insights into the glass transition characteristics of aqueous trehalose solutions as they relate to biopreservation.

  16. Dynamics of flood water infiltration and ground water recharge in hyperarid desert.

    Science.gov (United States)

    Dahan, Ofer; Tatarsky, Boaz; Enzel, Yehouda; Kulls, Christoph; Seely, Mary; Benito, Gererdo

    2008-01-01

    A study on flood water infiltration and ground water recharge of a shallow alluvial aquifer was conducted in the hyperarid section of the Kuiseb River, Namibia. The study site was selected to represent a typical desert ephemeral river. An instrumental setup allowed, for the first time, continuous monitoring of infiltration during a flood event through the channel bed and the entire vadose zone. The monitoring system included flexible time domain reflectometry probes that were designed to measure the temporal variation in vadose zone water content and instruments to concurrently measure the levels of flood and ground water. A sequence of five individual floods was monitored during the rainy season in early summer 2006. These newly generated data served to elucidate the dynamics of flood water infiltration. Each flood initiated an infiltration event which was expressed in wetting of the vadose zone followed by a measurable rise in the water table. The data enabled a direct calculation of the infiltration fluxes by various independent methods. The floods varied in their stages, peaks, and initial water contents. However, all floods produced very similar flux rates, suggesting that the recharge rates are less affected by the flood stages but rather controlled by flow duration and available aquifer storage under it. Large floods flood the stream channel terraces and promote the larger transmission losses. These, however, make only a negligible contribution to the recharge of the ground water. It is the flood duration within the active streambed, which may increase with flood magnitude that is important to the recharge process.

  17. Quantum gases finite temperature and non-equilibrium dynamics

    CERN Document Server

    Szymanska, Marzena; Davis, Matthew; Gardiner, Simon

    2013-01-01

    The 1995 observation of Bose-Einstein condensation in dilute atomic vapours spawned the field of ultracold, degenerate quantum gases. Unprecedented developments in experimental design and precision control have led to quantum gases becoming the preferred playground for designer quantum many-body systems. This self-contained volume provides a broad overview of the principal theoretical techniques applied to non-equilibrium and finite temperature quantum gases. Covering Bose-Einstein condensates, degenerate Fermi gases, and the more recently realised exciton-polariton condensates, it fills a gap by linking between different methods with origins in condensed matter physics, quantum field theory, quantum optics, atomic physics, and statistical mechanics. Thematically organised chapters on different methodologies, contributed by key researchers using a unified notation, provide the first integrated view of the relative merits of individual approaches, aided by pertinent introductory chapters and the guidance of ed...

  18. Net carbon allocation in soybean seedlings as influenced by soil water stress at two soil temperatures

    International Nuclear Information System (INIS)

    McCoy, E.L.; Boersma, L.; Ekasingh, M.

    1990-01-01

    The influence of water stress at two soil temperatures on allocation of net photoassimilated carbon in soybean (Glycine max [L.] Merr.) was investigated using compartmental analysis. The experimental phase employed classical 14 C labeling methodology with plants equilibrated at soil water potentials of -0.04, -0.25 and -0.50 MPa; and soil temperatures of 25 and 10C. Carbon immobilization in the shoot apex generally followed leaf elongation rates with decreases in both parameters at increasing water stress at both soil temperatures. However, where moderate water stress resulted in dramatic declines in leaf elongation rates, carbon immobilization rates were sharply decreased only at severe water stress levels. Carbon immobilization was decreased in the roots and nodules of the nonwater stressed treatment by the lower soil temperature. This relation was reversed with severe water stress, and carbon immobilization in the roots and nodules was increased at the lower soil temperature. Apparently, the increased demand for growth and/or carbon storage in these tissues with increased water stress overcame the low soil temperature limitations. Both carbon pool sizes and partitioning of carbon to the sink tissues increased with moderate water stress at 25C soil temperature. Increased pool sizes were consistent with whole plant osmotic adjustment at moderate water stress. Increased partitioning to the sinks was consistent with carbon translocation processes being less severely influenced by water stress than is photosynthesis

  19. Molecular dynamics simulation of heat transfer through a water layer between two platinum slabs

    International Nuclear Information System (INIS)

    Iype, E; Arlemark, E J; Nedea, S V; Rindt, C C M; Zondag, H A

    2012-01-01

    Heat transfer through micro channels is being investigated due to its importance in micro channel cooling applications. Molecular dynamics simulation is regarded as a potential tool for studying such microscopic phenomena in detail. However, the applicability of molecular dynamics method is limited due to scarcely known inter atomic interactions involved in complex fluids. In this study we use an empirical force field (ReaxFF), which is parameterized using accurate quantum chemical simulation results for water, to simulate heat transfer phenomena through a layer of water confined between two platinum slabs. The model for water seems to reproduce the macroscopic properties such as density, radial distribution function and diffusivity quite well. The heat transfer phenomena through a channel filled with water, which is confined by two platinum (100) surfaces are studied using ReaxFF. The model accurately predicts the formation of surface mono-layer. The heat transfer analysis shows temperature jumps near the walls which are creating significant heat transfer resistances. A low bulk density in the channel creates a multi-phase region with vapor transport in the region.

  20. Integration of space heating and hot water supply in low temperature district heating

    DEFF Research Database (Denmark)

    Elmegaard, Brian; Ommen, Torben Schmidt; Markussen, Michael

    2016-01-01

    District heating may supply many consumers efficiently, but the heat loss from the pipes to the ground is a challenge. The heat loss may be lowered by decreasing the network temperatures for which reason low temperature networks are proposed for future district heating. The heating demand...... of the consumers involves both domestic hot water and space heating. Space heating may be provided at low temperature in low energy buildings. Domestic hot water, however, needs sufficient temperatures to avoid growth of legionella. If the network temperature is below the demand temperature, supplementary heating...... is required by the consumer. We study conventional district heating at different temperatures and compare the energy and exergetic efficiency and annual heating cost to solutions that utilize electricity for supplementary heating of domestic hot water in low temperature district heating. This includes direct...

  1. Influence of extreme low temperature conditions on the dynamic mechanical properties of carbon fiber reinforced polymers

    Science.gov (United States)

    Zaoutsos, S. P.; Zilidou, M. C.

    2017-12-01

    In the current study dynamic mechanical analysis (DMA) is performed in CFRPs that have been exposed for certain periods of time to extreme low temperatures. Through experimental data arising from respective DMA tests the influence of low temperature exposure (-40 °C) on the dynamic mechanical properties is studied. DMA tests were conducted in CFRP specimens in three point bending mode at both frequency and thermal scans in order to determine the viscoelastic response of the material in low temperatures. All experimental tests were run both for aged and pristine materials for comparison purposes. The results occurred reveal that there is deterioration both on transition temperature (Tg) and storage modulus values while there is also a moderate increase in the damping ability of the tested material as expressed by the factor tanδ as the period of exposure to low temperature increases.

  2. Development of analytical code `ACCORD` for incore and plant dynamics of High Temperature Gas-cooled Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Takeda, Takeshi; Tachibana, Yukio; Kunitomi, Kazuhiko [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Itakura, Hirofumi

    1996-11-01

    Safety demonstration test of the High Temperature Engineering Test Reactor will be carried out to demonstrate excellent safety features of a next generation High Temperature Gas-cooled Reactor (HTGR). Analytical code for incore and plant dynamics is necessary to assess the results of the safety demonstration test and to perform a design and safety analysis of the next generation HTGR. Existing analytical code for incore and plant dynamics of the HTGR can analyze behavior of plant system for only several thousand seconds after an event occurrence. Simulator on site can analyze only behavior of specific plant system. The `ACCORD` code has been, therefore, developed to analyze the incore and plant dynamics of the HTGR. The followings are the major characteristics of this code. (1) Plant system can be analyzed for over several thousand seconds after an event occurrence by modeling the heat capacity of the core. (2) Incore and plant dynamics of any plant system can be analyzed by rearranging packages which simulate plant system components one by one. (3) Thermal hydraulics for each component can be analyzed by separating heat transfer calculation for component from fluid flow calculation for helium and pressurized water systems. The validity of the `ACCORD` code including models for nuclear calculation, heat transfer and fluid flow calculation, control system and safety protection system, was confirmed through cross checks with other available codes. (author)

  3. Development of analytical code 'ACCORD' for incore and plant dynamics of High Temperature Gas-cooled Reactor

    International Nuclear Information System (INIS)

    Takeda, Takeshi; Tachibana, Yukio; Kunitomi, Kazuhiko; Itakura, Hirofumi.

    1996-11-01

    Safety demonstration test of the High Temperature Engineering Test Reactor will be carried out to demonstrate excellent safety features of a next generation High Temperature Gas-cooled Reactor (HTGR). Analytical code for incore and plant dynamics is necessary to assess the results of the safety demonstration test and to perform a design and safety analysis of the next generation HTGR. Existing analytical code for incore and plant dynamics of the HTGR can analyze behavior of plant system for only several thousand seconds after an event occurrence. Simulator on site can analyze only behavior of specific plant system. The 'ACCORD' code has been, therefore, developed to analyze the incore and plant dynamics of the HTGR. The followings are the major characteristics of this code. (1) Plant system can be analyzed for over several thousand seconds after an event occurrence by modeling the heat capacity of the core. (2) Incore and plant dynamics of any plant system can be analyzed by rearranging packages which simulate plant system components one by one. (3) Thermal hydraulics for each component can be analyzed by separating heat transfer calculation for component from fluid flow calculation for helium and pressurized water systems. The validity of the 'ACCORD' code including models for nuclear calculation, heat transfer and fluid flow calculation, control system and safety protection system, was confirmed through cross checks with other available codes. (author)

  4. Dynamic High-Temperature Characterization of an Iridium Alloy in Compression at High Strain Rates

    Energy Technology Data Exchange (ETDEWEB)

    Song, Bo [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Experimental Environment Simulation Dept.; Nelson, Kevin [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Mechanics of Materials Dept.; Lipinski, Ronald J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Advanced Nuclear Fuel Cycle Technology Dept.; Bignell, John L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Structural and Thermal Analysis Dept.; Ulrich, G. B. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Radioisotope Power Systems Program; George, E. P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Radioisotope Power Systems Program

    2014-06-01

    Iridium alloys have superior strength and ductility at elevated temperatures, making them useful as structural materials for certain high-temperature applications. However, experimental data on their high-temperature high-strain-rate performance are needed for understanding high-speed impacts in severe elevated-temperature environments. Kolsky bars (also called split Hopkinson bars) have been extensively employed for high-strain-rate characterization of materials at room temperature, but it has been challenging to adapt them for the measurement of dynamic properties at high temperatures. Current high-temperature Kolsky compression bar techniques are not capable of obtaining satisfactory high-temperature high-strain-rate stress-strain response of thin iridium specimens investigated in this study. We analyzed the difficulties encountered in high-temperature Kolsky compression bar testing of thin iridium alloy specimens. Appropriate modifications were made to the current high-temperature Kolsky compression bar technique to obtain reliable compressive stress-strain response of an iridium alloy at high strain rates (300 – 10000 s-1) and temperatures (750°C and 1030°C). Uncertainties in such high-temperature high-strain-rate experiments on thin iridium specimens were also analyzed. The compressive stress-strain response of the iridium alloy showed significant sensitivity to strain rate and temperature.

  5. Influence of water temperature on the economic value of growth rate in fish farming

    NARCIS (Netherlands)

    Besson, M.; Vandeputte, M.; Arendonk, van J.A.M.; Aubin, J.; Boer, de I.J.M.; Quillet, E.; Komen, H.

    2016-01-01

    In sea cage farming, fish are exposed to seasonal variations of water temperature, and these variations can differ from one location to another. A small increase in water temperature does not only stimulate growth of the fish (until an optimal level) but also lowers dissolved oxygen concentration

  6. Root-zone temperature and water availability affect early root growth of planted longleaf pine

    Science.gov (United States)

    M.A. Sword

    1995-01-01

    Longleaf pine seedlings from three seed sources were exposed to three root-zone temperatures and three levels of water availability for 28 days. Root growth declined as temperature and water availability decreased. Root growth differed by seed source. Results suggest that subtle changes in the regeneration environment may influence early root growth of longleaf pine...

  7. Development of an Accurate Feed-Forward Temperature Control Tankless Water Heater

    Energy Technology Data Exchange (ETDEWEB)

    David Yuill

    2008-06-30

    The following document is the final report for DE-FC26-05NT42327: Development of an Accurate Feed-Forward Temperature Control Tankless Water Heater. This work was carried out under a cooperative agreement from the Department of Energy's National Energy Technology Laboratory, with additional funding from Keltech, Inc. The objective of the project was to improve the temperature control performance of an electric tankless water heater (TWH). The reason for doing this is to minimize or eliminate one of the barriers to wider adoption of the TWH. TWH use less energy than typical (storage) water heaters because of the elimination of standby losses, so wider adoption will lead to reduced energy consumption. The project was carried out by Building Solutions, Inc. (BSI), a small business based in Omaha, Nebraska. BSI partnered with Keltech, Inc., a manufacturer of electric tankless water heaters based in Delton, Michigan. Additional work was carried out by the University of Nebraska and Mike Coward. A background study revealed several advantages and disadvantages to TWH. Besides using less energy than storage heaters, TWH provide an endless supply of hot water, have a longer life, use less floor space, can be used at point-of-use, and are suitable as boosters to enable alternative water heating technologies, such as solar or heat-pump water heaters. Their disadvantages are their higher cost, large instantaneous power requirement, and poor temperature control. A test method was developed to quantify performance under a representative range of disturbances to flow rate and inlet temperature. A device capable of conducting this test was designed and built. Some heaters currently on the market were tested, and were found to perform quite poorly. A new controller was designed using model predictive control (MPC). This control method required an accurate dynamic model to be created and required significant tuning to the controller before good control was achieved. The MPC

  8. Rotational dynamics of benzene and water in an ionic liquid explored via molecular dynamics simulations and NMR T1 measurements.

    Science.gov (United States)

    Yasaka, Yoshiro; Klein, Michael L; Nakahara, Masaru; Matubayasi, Nobuyuki

    2012-02-21

    The rotational dynamics of benzene and water in the ionic liquid (IL) 1-butyl-3-methylimidazolium chloride are studied using molecular dynamics (MD) simulation and NMR T(1) measurements. MD trajectories based on an effective potential are used to calculate the (2)H NMR relaxation time, T(1) via Fourier transform of the relevant rotational time correlation function, C(2R)(t). To compensate for the lack of polarization in the standard fixed-charge modeling of the IL, an effective ionic charge, which is smaller than the elementary charge is employed. The simulation results are in closest agreement with NMR experiments with respect to the temperature and Larmor frequency dependencies of T(1) when an effective charge of ±0.5e is used for the anion and the cation, respectively. The computed C(2R)(t) of both solutes shows a bi-modal nature, comprised of an initial non-diffusive ps relaxation plus a long-time ns tail extending to the diffusive regime. Due to the latter component, the solute dynamics is not under the motional narrowing condition with respect to the prevalent Larmor frequency. It is shown that the diffusive tail of the C(2R)(t) is most important to understand frequency and temperature dependencies of T(1) in ILs. On the other hand, the effect of the initial ps relaxation is an increase of T(1) by a constant factor. This is equivalent to an "effective" reduction of the quadrupolar coupling constant (QCC). Thus, in the NMR T(1) analysis, the rotational time correlation function can be modeled analytically in the form of aexp (-t/τ) (Lipari-Szabo model), where the constant a, the Lipari-Szabo factor, contains the integrated contribution of the short-time relaxation and τ represents the relaxation time of the exponential (diffusive) tail. The Debye model is a special case of the Lipari-Szabo model with a = 1, and turns out to be inappropriate to represent benzene and water dynamics in ILs since a is as small as 0.1. The use of the Debye model would result in

  9. Temperature dependence of dynamic behavior of commercially pure titanium by the compression test

    International Nuclear Information System (INIS)

    Lee, Su Min; Seo, Song Won; Park, Kyoung Joon; Min, Oak Key

    2003-01-01

    The mechanical behavior of a Commercially Pure Titanium (CP-Ti) is investigated at high temperature Split Hopkinson Pressure Bar (SHPB) compression test with high strain-rate. Tests are performed over a temperature range from room temperature to 1000 .deg. C with interval of 200 deg. C and a strain-rate range of 1900∼2000/sec. The true flow stress-true strain relations depending on temperature are achieved in these tests. For construction of constitutive equation from the true flow stress-true strain relation, parameters for the Johnson-Cook constitutive equation is determined. And the modified Johnson-Cook equation is used for investigation of behavior of flow stress in vicinity of recrystallization temperature. The modified Johnson-Cook constitutive equation is more suitable in expressing the dynamic behavior of a CP-Ti at high temperature, i.e. about recrystallization temperature

  10. Hydration, phase separation and nonlinear rheology of temperature-sensitive water-soluble polymers

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Fumihiko; Koga, Tsuyoshi [Department of Polymer Chemistry, Graduate School of Engineering, Kyoto University, Kyoto 615-8510 (Japan); Kaneda, Isamu [Department of Food Science, Rakuno Gakuen University, Ebetsu, Hokkaido 069-8501 (Japan); Winnik, Francoise M, E-mail: ftanaka@phys.polym.kyoto-u.ac.jp [Department of Chemistry and Faculty of Pharmacy, University of Montreal, Montreal, H3C 3J7 (Canada)

    2011-07-20

    The collapse of a poly(N-isopropylacrylamide) (PNIPAM) chain upon heating and the phase diagrams of aqueous PNIPAM solutions with a very flat lower critical solution temperature (LCST) phase separation line are theoretically studied on the basis of cooperative dehydration (simultaneous dissociation of bound water molecules in a group of correlated sequence), and compared with the experimental observation of temperature-induced coil-globule transition by light scattering methods. The transition becomes sharper with the cooperativity parameter {sigma} of hydration. The reentrant coil-globule-coil transition and cononsolvency in a mixed solvent of water and methanol are also studied from the viewpoint of competitive hydrogen bonds between polymer-water and polymer-methanol. The downward shift of the cloud-point curves (LCST cononsolvency) with the mol fraction of methanol due to the competition is calculated and compared with the experimental data. Aqueous solutions of hydrophobically modified PNIPAM carrying short alkyl chains at both chain ends (telechelic PNIPAM) are theoretically and experimentally studied. The LCST of