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.

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

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.)

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...

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...

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

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.

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

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.

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.

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.

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

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

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

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.

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.

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

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.

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.

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.

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.

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.

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.

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.

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....

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.

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

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.

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...

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.

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.

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.

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

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.

Polymer and Water Dynamics in Poly(vinyl alcohol/Poly(methacrylate Networks. A Molecular Dynamics Simulation and Incoherent Neutron Scattering Investigation

Directory of Open Access Journals (Sweden)

Ester Chiessi

2011-10-01

Full Text Available Chemically cross-linked polymer networks of poly(vinyl alcohol/poly(methacrylate form monolitic hydrogels and microgels suitable for biomedical applications, such as in situ tissue replacement and drug delivery. In this work, molecular dynamics (MD simulation and incoherent neutron scattering methods are used to study the local polymer dynamics and the polymer induced modification of water properties in poly(vinyl alcohol/poly(methacrylate hydrogels. This information is particularly relevant when the diffusion of metabolites and drugs is a requirement for the polymer microgel functionality. MD simulations of an atomic detailed model of the junction domain at the experimental hydration degree were carried out at 283, 293 and 313 K. The polymer-water interaction, the polymer connectivity and the water dynamics were investigated as a function of temperature. Simulation results are compared with findings of elastic and quasi-elastic incoherent neutron scattering measurements, experimental approaches which sample the same space-time window of MD simulations. This combined analysis shows a supercooled water component and an increase of hydrophilicity and mobility with temperature of these amphiphilic polymer networks.

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.

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.

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

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

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

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)

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 ...

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.

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

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.

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)

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.

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)

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

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)

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.

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.

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.

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

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

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. 

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

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

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

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

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.

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

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.

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

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.

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.

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

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

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.

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.

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.)

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.

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.

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.

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.

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...

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...

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

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

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.

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.

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.

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

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.

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.

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%.

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.

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.

Molecular dynamics simulations of the Nip7 proteins from the marine deep- and shallow-water Pyrococcus species.

Science.gov (United States)

Medvedev, Kirill E; Alemasov, Nikolay A; Vorobjev, Yuri N; Boldyreva, Elena V; Kolchanov, Nikolay A; Afonnikov, Dmitry A

2014-10-15

The identification of the mechanisms of adaptation of protein structures to extreme environmental conditions is a challenging task of structural biology. We performed molecular dynamics (MD) simulations of the Nip7 protein involved in RNA processing from the shallow-water (P. furiosus) and the deep-water (P. abyssi) marine hyperthermophylic archaea at different temperatures (300 and 373 K) and pressures (0.1, 50 and 100 MPa). The aim was to disclose similarities and differences between the deep- and shallow-sea protein models at different temperatures and pressures. The current results demonstrate that the 3D models of the two proteins at all the examined values of pressures and temperatures are compact, stable and similar to the known crystal structure of the P. abyssi Nip7. The structural deviations and fluctuations in the polypeptide chain during the MD simulations were the most pronounced in the loop regions, their magnitude being larger for the C-terminal domain in both proteins. A number of highly mobile segments the protein globule presumably involved in protein-protein interactions were identified. Regions of the polypeptide chain with significant difference in conformational dynamics between the deep- and shallow-water proteins were identified. The results of our analysis demonstrated that in the examined ranges of temperatures and pressures, increase in temperature has a stronger effect on change in the dynamic properties of the protein globule than the increase in pressure. The conformational changes of both the deep- and shallow-sea protein models under increasing temperature and pressure are non-uniform. Our current results indicate that amino acid substitutions between shallow- and deep-water proteins only slightly affect overall stability of two proteins. Rather, they may affect the interactions of the Nip7 protein with its protein or RNA partners.

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

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.

On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

Energy Technology Data Exchange (ETDEWEB)

Reddy, Sandeep K.; Straight, Shelby C.; Bajaj, Pushp; Huy Pham, C.; Riera, Marc; Moberg, Daniel R.; Morales, Miguel A.; Knight, Chris; Götz, Andreas W.; Paesani, Francesco

2016-11-21

The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. In this study, the accuracy of MB-pol is systematically assessed across the three phases of water through extensive comparisons with experimental data and high-level ab initio calculations. Individual many-body contributions to the interaction energies as well as vibrational spectra of water clusters calculated with MB-pol are in excellent agreement with reference data obtained at the coupled cluster level. Several structural, thermodynamic, and dynamical properties of the liquid phase at atmospheric pressure are investigated through classical molecular dynamics simulations as a function of temperature. The structural properties of the liquid phase are in nearly quantitative agreement with X-ray diffraction data available over the temperature range from 268 to 368 K. The analysis of other thermodynamic and dynamical quantities emphasizes the importance of explicitly including nuclear quantum effects in the simulations, especially at low temperature, for a physically correct description of the properties of liquid water. Furthermore, both densities and lattice energies of several ice phases are also correctly reproduced by MB-pol. Following a recent study of DFT models for water, a score is assigned to each computed property, which demonstrates the high and, in many respects, unprecedented accuracy of MB-pol in representing all three phases of water. Published by AIP Publishing.

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...

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

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.

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.

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

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

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.

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.

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...

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

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

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

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

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.

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.

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)

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.

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.

Water-quality models to assess algal community dynamics, water quality, and fish habitat suitability for two agricultural land-use dominated lakes in Minnesota, 2014

Science.gov (United States)

Smith, Erik A.; Kiesling, Richard L.; Ziegeweid, Jeffrey R.

2017-07-20

Fish habitat can degrade in many lakes due to summer blue-green algal blooms. Predictive models are needed to better manage and mitigate loss of fish habitat due to these changes. The U.S. Geological Survey (USGS), in cooperation with the Minnesota Department of Natural Resources, developed predictive water-quality models for two agricultural land-use dominated lakes in Minnesota—Madison Lake and Pearl Lake, which are part of Minnesota’s sentinel lakes monitoring program—to assess algal community dynamics, water quality, and fish habitat suitability of these two lakes under recent (2014) meteorological conditions. The interaction of basin processes to these two lakes, through the delivery of nutrient loads, were simulated using CE-QUAL-W2, a carbon-based, laterally averaged, two-dimensional water-quality model that predicts distribution of temperature and oxygen from interactions between nutrient cycling, primary production, and trophic dynamics.The CE-QUAL-W2 models successfully predicted water temperature and dissolved oxygen on the basis of the two metrics of mean absolute error and root mean square error. For Madison Lake, the mean absolute error and root mean square error were 0.53 and 0.68 degree Celsius, respectively, for the vertical temperature profile comparisons; for Pearl Lake, the mean absolute error and root mean square error were 0.71 and 0.95 degree Celsius, respectively, for the vertical temperature profile comparisons. Temperature and dissolved oxygen were key metrics for calibration targets. These calibrated lake models also simulated algal community dynamics and water quality. The model simulations presented potential explanations for persistently large total phosphorus concentrations in Madison Lake, key differences in nutrient concentrations between these lakes, and summer blue-green algal bloom persistence.Fish habitat suitability simulations for cool-water and warm-water fish indicated that, in general, both lakes contained a large

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

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.

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

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

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.

Genetic susceptibility, colony size, and water temperature drive white-pox disease on the coral Acropora palmata.

Science.gov (United States)

Muller, Erinn M; van Woesik, Robert

2014-01-01

Outbreaks of coral diseases are one of the greatest threats to reef corals in the Caribbean, yet the mechanisms that lead to coral diseases are still largely unknown. Here we examined the spatial-temporal dynamics of white-pox disease on Acropora palmata coral colonies of known genotypes. We took a Bayesian approach, using Integrated Nested Laplace Approximation algorithms, to examine which covariates influenced the presence of white-pox disease over seven years. We showed that colony size, genetic susceptibility of the coral host, and high-water temperatures were the primary tested variables that were positively associated with the presence of white-pox disease on A. palmata colonies. Our study also showed that neither distance from previously diseased individuals, nor colony location, influenced the dynamics of white-pox disease. These results suggest that white-pox disease was most likely a consequence of anomalously high water temperatures that selectively compromised the oldest colonies and the most susceptible coral genotypes.

Genetic susceptibility, colony size, and water temperature drive white-pox disease on the coral Acropora palmata.

Directory of Open Access Journals (Sweden)

Erinn M Muller

Full Text Available Outbreaks of coral diseases are one of the greatest threats to reef corals in the Caribbean, yet the mechanisms that lead to coral diseases are still largely unknown. Here we examined the spatial-temporal dynamics of white-pox disease on Acropora palmata coral colonies of known genotypes. We took a Bayesian approach, using Integrated Nested Laplace Approximation algorithms, to examine which covariates influenced the presence of white-pox disease over seven years. We showed that colony size, genetic susceptibility of the coral host, and high-water temperatures were the primary tested variables that were positively associated with the presence of white-pox disease on A. palmata colonies. Our study also showed that neither distance from previously diseased individuals, nor colony location, influenced the dynamics of white-pox disease. These results suggest that white-pox disease was most likely a consequence of anomalously high water temperatures that selectively compromised the oldest colonies and the most susceptible coral genotypes.

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.

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...

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

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.

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.

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.

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.

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

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.

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.

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.

Modeling the effects of the variability of temperature-related dynamic viscosity on the thermal-affected zone of groundwater heat-pump systems

Science.gov (United States)

Lo Russo, Stefano; Taddia, Glenda; Cerino Abdin, Elena

2018-01-01

Thermal perturbation in the subsurface produced in an open-loop groundwater heat pump (GWHP) plant is a complex transport phenomenon affected by several factors, including the exploited aquifer's hydrogeological and thermal characteristics, well construction features, and the temporal dynamics of the plant's groundwater abstraction and reinjection system. Hydraulic conductivity has a major influence on heat transport because plume propagation, which occurs primarily through advection, tends to degrade following conductive heat transport and convection within moving water. Hydraulic conductivity is, in turn, influenced by water reinjection because the dynamic viscosity of groundwater varies with temperature. This paper reports on a computational analysis conducted using FEFLOW software to quantify how the thermal-affected zone (TAZ) is influenced by the variation in dynamic viscosity due to reinjected groundwater in a well-doublet scheme. The modeling results demonstrate non-negligible groundwater dynamic-viscosity variation that affects thermal plume propagation in the aquifer. This influence on TAZ calculation was enhanced for aquifers with high intrinsic permeability and/or substantial temperature differences between abstracted and post-heat-pump-reinjected groundwater.

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)

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)

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

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.

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

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.

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.

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.

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.

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

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.

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)

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.

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

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

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.

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

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

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...

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.

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.

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 ...

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.

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.

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.

[Dynamics of Irreversible Evaporation of a Water-Protein Droplet and a Problem of Structural and Dynamical Experiments with Single Molecules].

Science.gov (United States)

Shaitan, K V; Armeev, G A; Shaytan, A K

2016-01-01

We discuss the effect of isothermal and adiabatic evaporation of water on the state of a water-protein droplet. The discussed problem is of current importance due to development of techniques to perform single molecule experiments using free electron lasers. In such structure-dynamic experiments the delivery of a sample into the X-ray beam is performed using the microdroplet injector. The time between the injection and delivery is in the order of microseconds. In this paper we developed a specialized variant of all-atom molecular dynamics simulations for the study of irreversible isothermal evaporation of the droplet. Using in silico experiments we determined the parameters of isothermal evaporation of the water-protein droplet with the sodium and chloride ions in the concentration range of 0.3 M at different temperatures. The energy of irreversible evaporation determined from in silico experiments at the initial stages of evaporation virtually coincides with the specific heat of evaporation for water. For the kinetics of irreversible adiabatic evaporation an exact analytical solution was obtained in the limit of high thermal conductivity of the droplet (or up to the droplet size of -100 Å). This analytical solution incorporates parameters that are determined using in silico. experiments on isothermal droplet evaporation. We show that the kinetics of adiabatic evaporation and cooling of the droplet scales with the droplet size. Our estimates of the water-protemi droplet. freezing rate in the adiabatic regime in a vacuum chamber show that additional techniques for stabilizing the temperature inside the droplet should be used in order to study the conformational transitions of the protein in single molecules. Isothermal and quasi-isothermal conditions are most suitable for studying the conformational transitions upon object functioning. However, in this case it is necessary to take into account the effects of dehydration and rapid increase of ionic strength in an

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.)

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

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...

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.

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.

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 ...

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.

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)

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.

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.

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...

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.

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.

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)

Effects of solvent concentration and composition on protein dynamics: 13C MAS NMR studies of elastin in glycerol-water mixtures.

Science.gov (United States)

Demuth, Dominik; Haase, Nils; Malzacher, Daniel; Vogel, Michael

2015-08-01

We use (13)C CP MAS NMR to investigate the dependence of elastin dynamics on the concentration and composition of the solvent at various temperatures. For elastin in pure glycerol, line-shape analysis shows that larger-scale fluctuations of the protein backbone require a minimum glycerol concentration of ~0.6 g/g at ambient temperature, while smaller-scale fluctuations are activated at lower solvation levels of ~0.2 g/g. Immersing elastin in various glycerol-water mixtures, we observe at room temperature that the protein mobility is higher for lower glycerol fractions in the solvent and, thus, lower solvent viscosity. When decreasing the temperature, the elastin spectra approach the line shape for the rigid protein at 245 K for all studied samples, indicating that the protein ceases to be mobile on the experimental time scale of ~10(-5) s. Our findings yield evidence for a strong coupling between elastin fluctuations and solvent dynamics and, hence, such interaction is not restricted to the case of protein-water mixtures. Spectral resolution of different carbon species reveals that the protein-solvent couplings can, however, be different for side chain and backbone units. We discuss these results against the background of the slaving model for protein dynamics. Copyright © 2015 Elsevier B.V. All rights reserved.

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....

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.

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

Hydration water dynamics in biopolymers from NMR relaxation in the rotating frame.

Science.gov (United States)

Blicharska, Barbara; Peemoeller, Hartwig; Witek, Magdalena

2010-12-01

Assuming dipole-dipole interaction as the dominant relaxation mechanism of protons of water molecules adsorbed onto macromolecule (biopolymer) surfaces we have been able to model the dependences of relaxation rates on temperature and frequency. For adsorbed water molecules the correlation times are of the order of 10(-5)s, for which the dispersion region of spin-lattice relaxation rates in the rotating frame R(1)(ρ)=1/T(1)(ρ) appears over a range of easily accessible B(1) values. Measurements of T(1)(ρ) at constant temperature and different B(1) values then give the "dispersion profiles" for biopolymers. Fitting a theoretical relaxation model to these profiles allows for the estimation of correlation times. This way of obtaining the correlation time is easier and faster than approaches involving measurements of the temperature dependence of R(1)=1/T(1). The T(1)(ρ) dispersion approach, as a tool for molecular dynamics study, has been demonstrated for several hydrated biopolymer systems including crystalline cellulose, starch of different origins (potato, corn, oat, wheat), paper (modern, old) and lyophilized proteins (albumin, lysozyme). Copyright © 2010 Elsevier Inc. All rights reserved.

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

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...

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

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

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.

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...

Effect of temperature and water activity on heat transfer in parsley leaves in the  range of temperatures 10–30 °C

Directory of Open Access Journals (Sweden)

Jiří Štencl

2007-01-01

Full Text Available The equilibrium moisture contents of parsley leaves were measured by the gravimetric dynamic method with continuous recording of changes in sample weight. Consequently water activity values were determined. Henderson equation was found to be a good model both for moisture adsorption and desorption. Isosteric heat of sorption was defined and determined in the temperature range of 10–30 °C. Clausius-Clapeyron equation was used to calculate the isosteric heat of sorption since no dependence on temperature in the analysed range was observed. The isosteric heats of sorption (qnst were indicated graphic in the form qnst versus moisture content. Values for isosteric heat of sorption ranged from 54.41 to 46.85 kJ/mol.

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.

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.

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

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.

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)

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

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.

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

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

Tracking atmospheric boundary layer dynamics with water vapor D-excess observations

KAUST Repository

Parkes, Stephen

2015-04-01

Stable isotope water vapor observations present a history of hydrological processes that have impacted on an air mass. Consequently, there is scope to improve our knowledge of how different processes impact on humidity budgets by determining the isotopic end members of these processes and combining them with in-situ water vapor measurements. These in-situ datasets are still rare and cover a limited geographical expanse, so expanding the available data can improve our ability to define isotopic end members and knowledge about atmospheric humidity dynamics. Using data collected from an intensive field campaign across a semi-arid grassland site in eastern Australia, we combine multiple methods including in-situ stable isotope observations to study humidity dynamics associated with the growth and decay of the atmospheric boundary layer and the stable nocturnal boundary layer. The deuterium-excess (D-excess) in water vapor is traditionally thought to reflect the sea surface temperature and relative humidity at the point of evaporation over the oceans. However, a number of recent studies suggest that land-atmosphere interactions are also important in setting the D-excess of water vapor. These studies have shown a highly robust diurnal cycle for the D-excess over a range of sites that could be exploited to better understand variations in atmospheric humidity associated with boundary layer dynamics. In this study we use surface radon concentrations as a tracer of surface layer dynamics and combine these with the D-excess observations. The radon concentrations showed an overall trend that was inversely proportional to the D-excess, with early morning entrainment of air from the residual layer of the previous day both diluting the radon concentration and increasing the D-excess, followed by accumulation of radon at the surface and a decrease in the D-excess as the stable nocturnal layer developed in the late afternoon and early evening. The stable nocturnal boundary layer

Sensing the water content of honey from temperature-dependent electrical conductivity

International Nuclear Information System (INIS)

Guo, Wenchuan; Liu, Yi; Zhu, Xinhua; Zhuang, Hong

2011-01-01

In order to predict the water content in honey, electrical conductivity was measured on blossom honey types milk-vetch, jujube and yellow-locust with the water content of 18–37% between 5 and 40 °C. The regression models of electrical conductivity were developed as functions of water content and temperature. The results showed that increases in either water content or temperature resulted in an increase in the electrical conductivity of honey with greater changes at higher water content and/or higher temperature. The linear terms of water content and temperature, a quadratic term of water content, and the interaction effect of water content and temperature had significant influence on the electrical conductivity of honey (p < 0.0001). Regardless of blossom honey type, the linear coefficient of the determination of measured and calculated electrical conductivities was 0.998 and the range error ratio was larger than 100. These results suggest that the electrical conductivity of honey might be used to develop a detector for rapidly predicting the water content in blossom honey

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.

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.

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.

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.

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).

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 ...

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

Glass transition and relaxation dynamics of propylene glycol-water solutions confined in clay

Science.gov (United States)

Elamin, Khalid; Björklund, Jimmy; Nyhlén, Fredrik; Yttergren, Madeleine; Mârtensson, Lena; Swenson, Jan

2014-07-01

The molecular dynamics of aqueous solutions of propylene glycol (PG) and propylene glycol methylether (PGME) confined in a two-dimensional layer-structured Na-vermiculite clay has been studied by broadband dielectric spectroscopy and differential scanning calorimetry. As typical for liquids in confined geometries the intensity of the cooperative α-relaxation becomes considerably more suppressed than the more local β-like relaxation processes. In fact, at high water contents the calorimetric glass transition and related structural α-relaxation cannot even be observed, due to the confinement. Thus, the intensity of the viscosity related α-relaxation is dramatically reduced, but its time scale as well as the related glass transition temperature Tg are for both systems only weakly influenced by the confinement. In the case of the PGME-water solutions it is an important finding since in the corresponding bulk system a pronounced non-monotonic concentration dependence of the glass transition related dynamics has been observed due to the growth of hydrogen bonded relaxing entities of water bridging between PGME molecules [J. Sjöström, J. Mattsson, R. Bergman, and J. Swenson, Phys. Chem. B 115, 10013 (2011)]. The present results suggest that the same type of structural entities are formed in the quasi-two-dimensional space between the clay platelets. It is also observed that the main water relaxation cannot be distinguished from the β-relaxation of PG or PGME in the concentration range up to intermediate water contents. This suggests that these two processes are coupled and that the water molecules affect the time scale of the β-relaxation. However, this is most likely true also for the corresponding bulk solutions, which exhibit similar time scales of this combined relaxation process below Tg. Finally, it is found that at higher water contents the water relaxation does not merge with, or follow, the α-relaxation above Tg, but instead crosses the �

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)

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.

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.

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

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.

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.)

High-temperature dynamic hohlraums on the pulsed power driver Z

International Nuclear Information System (INIS)

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

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 MA, 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 diam with masses of 2 and 1 mg imploded onto a 2.5 mg plastic annulus at 5 mm diam. The current return can on this shot was slotted. It is likely the radiation temperature may be increased to over 200 eV by stabilizing the pinch with a solid current return can. A current return can with nine slots imprints nine filaments onto the imploding pinch. This degrades the optical trapping and the quality of the liner collision. A 1.6 mm diam 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 diam. Dynamic hohlraum shots including pellets were scheduled to take place on Z in September of 1998. copyright 1999 American Institute of Physics

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

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.

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.

Perspectives on Temperature in the Pacific Northwest's Fresh Waters

Energy Technology Data Exchange (ETDEWEB)

Coutant, C.C.

1999-06-01

This report provides a perspective on environmental water temperatures in the Pacific Northwest as they relate to the establishment of water temperature standards by the state and their review by the US Environmental Protection Agency. It is a companion to other detailed reviews of the literature on thermal effects on organisms important to the region. Many factors, both natural and anthropogenic, affect water temperatures in the region. Different environmental zones have characteristic temperatures and mechanisms that affect them. There are specific biotic adaptations to environmental temperatures. Life-cycle strategies of salmonids, in particular, are attuned to annual temperature patterns. Physiological and behavioral requirements on key species form the basis of present water temperature criteria, but may need to be augmented with more concern for environmental settings. There are many issues in the setting of standards, and these are discussed. There are also issues in compliance. Alternative temperature-regulating mechanisms are discussed, as are examples of actions to control water temperatures in the environment. Standards-setting is a social process for which this report should provide background and outline options, alternatives, limitations, and other points for discussion by those in the region.

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.

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)

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.

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)

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.

Dynamic lifetimes of cagelike water clusters immersed in liquid water and their implications for hydrate nucleation studies

Energy Technology Data Exchange (ETDEWEB)

Guo, G.J.; Zhang, Y.G.; Li, M.; Wu, C.H. [Chinese Academy of Sciences, Inst. of Geology and Geophysics, Beijing (China). Key Laboratory of the Study of Earth' s Deep Interior

2008-07-01

In hydrate research fields, the hydrate nucleation mechanism still remains as an unsolved question. The static lifetimes of cagelike water clusters (CLWC) immersed in bulk liquid water have recently been measured by performing molecular dynamics simulations in the methane-water system, during which the member-water molecules of CLWCs are not allowed to exchange with their surrounding water molecules. This paper presented a study that measured the dynamic lifetimes of CLWCs permitting such water exchanges. The study involved re-analysis of previous simulation data that were used to study the effect of methane adsorption on the static lifetimes of a dodecahedral water cluster (DWC). The dynamic lifetimes of the DWC were calculated. The results of lifetime measurements of DWC in different systems were provided. The implications of this study for hydrate nucleation were also discussed. It was found that the dynamic lifetimes of CLWCs were not less than the static lifetimes previously obtained, and their ratio increased with the lifetime values. The results strengthened that CLWCs are metastable structures in liquid water and the occurrence probability of long-lived CLWCs will increase if one uses the dynamic lifetimes instead of the static lifetimes. 13 refs., 1 tab., 3 figs.

Structure and dynamics of water confined in a graphene nanochannel under gigapascal high pressure: dependence of friction on pressure and confinement.

Science.gov (United States)

Yang, Lei; Guo, Yanjie; Diao, Dongfeng

2017-05-31

Recently, water flow confined in nanochannels has become an interesting topic due to its unique properties and potential applications in nanofluidic devices. The trapped water is predicted to experience high pressure in the gigapascal regime. Theoretical and experimental studies have reported various novel structures of the confined water under high pressure. However, the role of this high pressure on the dynamic properties of water has not been elucidated to date. In the present study, the structure evolution and interfacial friction behavior of water constrained in a graphene nanochannel were investigated via molecular dynamics simulations. Transitions of the confined water to different ice phases at room temperature were observed in the presence of lateral pressure at the gigapascal level. The friction coefficient at the water/graphene interface was found to be dependent on the lateral pressure and nanochannel height. Further theoretical analyses indicate that the pressure dependence of friction is related to the pressure-induced change in the structure of water and the confinement dependence results from the variation in the water/graphene interaction energy barrier. These findings provide a basic understanding of the dynamics of the nanoconfined water, which is crucial in both fundamental and applied science.

Geothermal data-base study: mine-water temperatures. Final report

Energy Technology Data Exchange (ETDEWEB)

Lawson, D.C.; Sonderegger, J.L.

1978-07-01

Investigation of about 1,600 mines and prospects for perennial discharge resulted in the measurement of temperature, pH, specific conductance, and discharge at 80 sites to provide information for a geothermal data base. Measurements were made in the fall, winter, and late spring or early summer to provide information about seasonal variability. None of the temperatures measured exceeded the mean annual air temperature by 15/sup 0/F, but three areas were noted where discharges were anomalously warm, based upon high temperatures, slight temperature variation, and quantity of discharge. The most promising area, at the Gold Bug mine in the Little Rockies, discharges water averaging 7.3/sup 0/C (12.1/sup 0/F) above the mean annual air temperature. The discharge may represent water heated during circulation within the syenite intrusive body. If the syenite is enriched in uranium and thorium, an abnormal amount of heat would be produced by radioactive decay. Alternatively, the water may move through deep permeable sedimentary strata, such as the Madison Group, and be discharged to the surface through fractures in the pluton.

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...

CFD results for temperature dependence water cooling pump NPSH calculations - 15425

International Nuclear Information System (INIS)

Strongin, M.P.

2015-01-01

In this work the possibility to model the pump for water cooling reactors behavior in the critical situation was considered for cases when water temperature suddenly increases. In cases like this, cavitation effects may cause pump shutoff and consequently stop the reactor cooling. Centrifugal pump was modeled. The calculations demonstrate strong dependence of NPSH (net-positive-suction-head) on the water temperature on the pump inlet. The water temperature on the inlet lies between 25 and 180 C. degrees. The pump head performance curve has a step-like slope below NPSH point. Therefore, if the pressure on the pump inlet is below than NPSH, it leads to the pump shutoff. For high water temperature on the pump inlet, NPSH follows the vapor saturated pressure for given temperature with some offset. The results clearly show that in case of accidental increase of temperature in the cooling loop, special measures are needed to support the pressure on the pump inlet to prevent pump shutoff. (author)

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.

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

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.

Water-mass dynamics of an Arctic cold-water coral reef: First results from a new ocean observatory system

Science.gov (United States)

Flögel, Sascha; Karstensen, Johannes; Linke, Peter; Pfannkuche, Olaf; Ashastina, Kseniia; Dullo, Christian

2015-04-01

, which marks the boundary between Norwegian Coastal Water and Atlantic Water. Globally, Lophelia pertusa lives in waters covering a wide range of physical and biogeochemical parameters. This new data sets indicates parameter ranges, of e.g. current velocities (15-30 cm/s), temperature (6.0-6.8°C) and salinity (34.1-34.8), pH (8.22-7.39), turbidity (0.1-0.9 NTU), and oxygen concentration (300-339 μM) that are in agreement with other cold-water coral reefs in the NE Atlantic. The overall circulation depicts a complex dynamic system with pronounced differences not only vertically, but also important horizontal changes on top of the sill.

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

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.

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.

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...

2H Solid-State NMR Analysis of the Dynamics and Organization of Water in Hydrated Chitosan

Directory of Open Access Journals (Sweden)

Fenfen Wang

2016-04-01

Full Text Available Understanding water–biopolymer interactions, which strongly affect the function and properties of biopolymer-based tissue engineering and drug delivery materials, remains a challenge. Chitosan, which is an important biopolymer for the construction of artificial tissue grafts and for drug delivery, has attracted extensive attention in recent decades, where neutralization with an alkali solution can substantially enhance the final properties of chitosan films cast from an acidic solution. In this work, to elucidate the effect of water on the properties of chitosan films, we investigated the dynamics and different states of water in non-neutralized (CTS-A and neutralized (CTS-N hydrated chitosan by mobility selective variable-temperature (VT 2H solid-state NMR spectroscopy. Four distinct types of water exist in all of the samples with regards to dynamic behavior. First, non-freezable, rigid and strongly bound water was found in the crystalline domain at low temperatures. The second component consists of weakly bound water, which is highly mobile and exhibits isotropic motion, even below 260 K. Another type of water undergoes well-defined 180° flips around their bisector axis. Moreover, free water is also present in the films. For the CTS-A sample in particular, another special water species were bounded to acetic acid molecules via strong hydrogen bonding. In the case of CTS-N, the onset of motions of the weakly bound water molecules at 260 K was revealed by 2H-NMR spectroscopy. This water is not crystalline, even below 260 K, which is also the major contribution to the flexibility of chitosan chains and thus toughness of materials. By contrast, such motion was not observed in CTS-A. On the basis of the 2H solid-state NMR results, it is concluded that the unique toughness of CTS-N mainly originates from the weakly bound water as well as the interactions between water and the chitosan chains.

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.

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.

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)

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...

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.

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.

Translational and rotational dynamics of water in mesoporous silica materials: MCM-41-S and MCM-48-S

International Nuclear Information System (INIS)

Faraone, Antonio; Liu Li; Mou, C.-Y.; Shih, P.-C.; Copley, John R.D.; Chen, S.-H.

2003-01-01

We investigated the translational and rotational dynamics of water molecules in mesoporous silica materials MCM-41-S and MCM-48-S using the incoherent quasielastic neutron scattering technique. The range of wave vector transfers Q covered in the measurements was from 0.27 to 1.93 Aa -1 broad enough to detect both the translational and rotational contributions to the scattering. We used the relaxing-cage models for both translational and rotational motions which we developed earlier, to analyze the QENS spectra and investigated water dynamics in a supercooled range from 250 to 280 K. The results show a marked slowing down of both the translational and rotational relaxation times, and an increasing effect of confinement on the translational motion, as the temperature is lowered

Temperature specification in atomistic molecular dynamics and its impact on simulation efficacy

Science.gov (United States)

Ocaya, R. O.; Terblans, J. J.

2017-10-01

Temperature is a vital thermodynamical function for physical systems. Knowledge of system temperature permits assessment of system ergodicity, entropy, system state and stability. Rapid theoretical and computational developments in the fields of condensed matter physics, chemistry, material science, molecular biology, nanotechnology and others necessitate clarity in the temperature specification. Temperature-based materials simulations, both standalone and distributed computing, are projected to grow in prominence over diverse research fields. In this article we discuss the apparent variability of temperature modeling formalisms used currently in atomistic molecular dynamics simulations, with respect to system energetics,dynamics and structural evolution. Commercial simulation programs, which by nature are heuristic, do not openly discuss this fundamental question. We address temperature specification in the context of atomistic molecular dynamics. We define a thermostat at 400K relative to a heat bath at 300K firstly using a modified ab-initio Newtonian method, and secondly using a Monte-Carlo method. The thermostatic vacancy formation and cohesion energies, equilibrium lattice constant for FCC copper is then calculated. Finally we compare and contrast the results.

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.

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)

Homogeneous SPC/E water nucleation in large molecular dynamics simulations.

Science.gov (United States)

Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K; Tanaka, Hidekazu

2015-08-14

We perform direct large molecular dynamics simulations of homogeneous SPC/E water nucleation, using up to ∼ 4 ⋅ 10(6) molecules. Our large system sizes allow us to measure extremely low and accurate nucleation rates, down to ∼ 10(19) cm(-3) s(-1), helping close the gap between experimentally measured rates ∼ 10(17) cm(-3) s(-1). We are also able to precisely measure size distributions, sticking efficiencies, cluster temperatures, and cluster internal densities. We introduce a new functional form to implement the Yasuoka-Matsumoto nucleation rate measurement technique (threshold method). Comparison to nucleation models shows that classical nucleation theory over-estimates nucleation rates by a few orders of magnitude. The semi-phenomenological nucleation model does better, under-predicting rates by at worst a factor of 24. Unlike what has been observed in Lennard-Jones simulations, post-critical clusters have temperatures consistent with the run average temperature. Also, we observe that post-critical clusters have densities very slightly higher, ∼ 5%, than bulk liquid. We re-calibrate a Hale-type J vs. S scaling relation using both experimental and simulation data, finding remarkable consistency in over 30 orders of magnitude in the nucleation rate range and 180 K in the temperature range.

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).

Nothing a hot bath won't cure: infection rates of amphibian chytrid fungus correlate negatively with water temperature under natural field settings.

Science.gov (United States)

Forrest, Matthew J; Schlaepfer, Martin A

2011-01-01

Dramatic declines and extinctions of amphibian populations throughout the world have been associated with chytridiomycosis, an infectious disease caused by the pathogenic chytrid fungus Batrachochytrium dendrobatidis (Bd). Previous studies indicated that Bd prevalence correlates with cooler temperatures in the field, and laboratory experiments have demonstrated that Bd ceases growth at temperatures above 28°C. Here we investigate how small-scale variations in water temperature correlate with Bd prevalence in the wild. We sampled 221 amphibians, including 201 lowland leopard frogs (Rana [Lithobates] yavapaiensis), from 12 sites in Arizona, USA, and tested them for Bd. Amphibians were encountered in microhabitats that exhibited a wide range of water temperatures (10-50°C), including several geothermal water sources. There was a strong inverse correlation between the water temperature in which lowland leopard frogs were captured and Bd prevalence, even after taking into account the influence of year, season, and host size. In locations where Bd was known to be present, the prevalence of Bd infections dropped from 75-100% in water 30°C. A strong inverse correlation between Bd infection status and water temperature was also observed within sites. Our findings suggest that microhabitats where water temperatures exceed 30°C provide lowland leopard frogs with significant protection from Bd, which could have important implications for disease dynamics, as well as management applications.There must be quite a few things a hot bath won't cure, but I don't know many of them--Sylvia Plath, "The Bell Jar" (1963).

Nothing a hot bath won't cure: infection rates of amphibian chytrid fungus correlate negatively with water temperature under natural field settings.

Directory of Open Access Journals (Sweden)

Matthew J Forrest

Full Text Available Dramatic declines and extinctions of amphibian populations throughout the world have been associated with chytridiomycosis, an infectious disease caused by the pathogenic chytrid fungus Batrachochytrium dendrobatidis (Bd. Previous studies indicated that Bd prevalence correlates with cooler temperatures in the field, and laboratory experiments have demonstrated that Bd ceases growth at temperatures above 28°C. Here we investigate how small-scale variations in water temperature correlate with Bd prevalence in the wild. We sampled 221 amphibians, including 201 lowland leopard frogs (Rana [Lithobates] yavapaiensis, from 12 sites in Arizona, USA, and tested them for Bd. Amphibians were encountered in microhabitats that exhibited a wide range of water temperatures (10-50°C, including several geothermal water sources. There was a strong inverse correlation between the water temperature in which lowland leopard frogs were captured and Bd prevalence, even after taking into account the influence of year, season, and host size. In locations where Bd was known to be present, the prevalence of Bd infections dropped from 75-100% in water 30°C. A strong inverse correlation between Bd infection status and water temperature was also observed within sites. Our findings suggest that microhabitats where water temperatures exceed 30°C provide lowland leopard frogs with significant protection from Bd, which could have important implications for disease dynamics, as well as management applications.There must be quite a few things a hot bath won't cure, but I don't know many of them--Sylvia Plath, "The Bell Jar" (1963.

Interventions and Interactions: Understanding Coupled Human-Water Dynamics for Improved Water Resources Management in the Himalayas

Science.gov (United States)

Crootof, A.

2017-12-01

Understanding coupled human-water dynamics offers valuable insights to address fundamental water resources challenges posed by environmental change. With hydropower reshaping human-water interactions in mountain river basins, there is a need for a socio-hydrology framework—which examines two-way feedback loops between human and water systems—to more effectively manage water resources. This paper explores the cross-scalar interactions and feedback loops between human and water systems in river basins affected by run-of-the-river hydropower and highlights the utility of a socio-hydrology perspectives to enhance water management in the face of environmental change. In the Himalayas, the rapid expansion of run-of-the-river hydropower—which diverts streamflow for energy generation—is reconfiguring the availability, location, and timing of water resources. This technological intervention in the river basin not only alters hydrologic dyanmics but also shapes social outcomes. Using hydropower development in the highlands of Uttarakhand, India as a case study, I first illustrate how run-of-the-river projects transform human-water dynamics by reshaping the social and physical landscape of a river basin. Second, I emphasize how examining cross-scalar feedbacks among structural dynamics, social outcomes, and values and norms in this coupled human-water system can inform water management. Third, I present hydrological and social literature, raised separately, to indicate collaborative research needs and knowledge gaps for coupled human-water systems affected by run-of-the-river hydropower. The results underscore the need to understand coupled human-water dynamics to improve water resources management in the face of environmental change.

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.

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)

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)

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)

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).

Temperature-dependent photoluminescence of water-soluble quantum dots for a bioprobe

International Nuclear Information System (INIS)

Liu Tiancai; Huang Zhenli; Wang Haiqiao; Wang Jianhao; Li Xiuqing; Zhao Yuandi; Luo Qingming

2006-01-01

The photoluminescence of water-soluble CdSe/ZnS core/shell quantum dots is found to be temperature-dependent: as temperature arising from 280 K to 351 K, the photoluminescence declines with emission peak shifting towards the red at a rate of ∼0.11 nm K -1 . And the studies show that the photoluminescence of water-soluble CdSe/ZnS quantum dots with core capped by a thinner ZnS shell is more sensitive to temperature than that of ones with core capped by a thicker one. That is, with 50% decrement of the quantum yield the temperature of the former need to arise from 280 K to 295 K, while the latter requires much higher temperature (315.6 K), which means that the integrality of shell coverage is a very important factor on temperature-sensitivity to for the photoluminescence of water-soluble CdSe/ZnS quantum dots. Moreover, it is found that the water-soluble CdSe quantum dots with different core sizes, whose cores are capped by thicker ZnS shells, possess almost the same sensitivity to the temperature. All of the studies about photoluminescence temperature-dependence of water-soluble CdSe/ZnS core/shell quantum dots show an indispensable proof for their applications in life science

Temperature-dependent photoluminescence of water-soluble quantum dots for a bioprobe

Energy Technology Data Exchange (ETDEWEB)

Liu Tiancai [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Huang Zhenli [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Wang Haiqiao [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Wang Jianhao [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Li Xiuqing [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Zhao Yuandi [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China)]. E-mail: zydi@mail.hust.edu.cn; Luo Qingming [Key Laboratory of Biomedical Photonics of Ministry of Education - Hubei Bioinformatics and Molecular Imaging Key Laboratory, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China)

2006-02-10

The photoluminescence of water-soluble CdSe/ZnS core/shell quantum dots is found to be temperature-dependent: as temperature arising from 280 K to 351 K, the photoluminescence declines with emission peak shifting towards the red at a rate of {approx}0.11 nm K{sup -1}. And the studies show that the photoluminescence of water-soluble CdSe/ZnS quantum dots with core capped by a thinner ZnS shell is more sensitive to temperature than that of ones with core capped by a thicker one. That is, with 50% decrement of the quantum yield the temperature of the former need to arise from 280 K to 295 K, while the latter requires much higher temperature (315.6 K), which means that the integrality of shell coverage is a very important factor on temperature-sensitivity to for the photoluminescence of water-soluble CdSe/ZnS quantum dots. Moreover, it is found that the water-soluble CdSe quantum dots with different core sizes, whose cores are capped by thicker ZnS shells, possess almost the same sensitivity to the temperature. All of the studies about photoluminescence temperature-dependence of water-soluble CdSe/ZnS core/shell quantum dots show an indispensable proof for their applications in life science.

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.

Application of quasi-elastic neutron scattering to dynamics study of confined water

International Nuclear Information System (INIS)

Li Hua; Zhang Lili; Yi Zhou

2014-01-01

Background: Quasi-elastic neutron scattering (QENS) is an important experiment for dynamics study of confined water. It is significant to study the dynamics of confined water in cement paste. Purpose: In this paper, we have two aims. One is to present a reviewer of QENS study on dynamics of confined water in cement paste in recent years. The other is to illustrate the QENS application to the study on dynamics of confined water based on cement paste. Method: Relaxing cage model (RCM) is specially introduced for the analyses of QENS spectra. Results: Based on RCM, several parameters for describing the dynamics of confined water in cement paste, can be obtained from the analyses of QENS spectra: a fraction of mobile 'glassy' water molecules embedded in amorphous gel region surrounding the hydration products, 1-p, the capture time of confined water molecule in some place-τ 0 , the average translational relaxation time-<τ>, the self-diffusion coefficient-D, and a phenomenological shape parameter describing the uniform of amorphous in cement paste-β. Conclusion: All these provide a practical method for QENS study on dynamics of confined water in cement paste. (authors)

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

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

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

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.

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.

Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo

International Nuclear Information System (INIS)

Zen, Andrea; Luo, Ye; Mazzola, Guglielmo; Sorella, Sandro; Guidoni, Leonardo

2015-01-01

Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum chemistry. In this article, we present a room temperature simulation of liquid water based on the potential energy surface obtained by a many-body wave function through quantum Monte Carlo (QMC) methods. The simulated properties are in good agreement with recent neutron scattering and X-ray experiments, particularly concerning the position of the oxygen-oxygen peak in the radial distribution function, at variance of previous density functional theory attempts. Given the excellent performances of QMC on large scale supercomputers, this work opens new perspectives for predictive and reliable ab initio simulations of complex chemical systems

Reorientational Dynamics of Enzymes Adsorbed on Quartz: A Temperature-Dependent Time-Resolved TIRF Anisotropy Study

Science.gov (United States)

Czeslik, C.; Royer, C.; Hazlett, T.; Mantulin, W.

2003-01-01

The preservation of enzyme activity and protein binding capacity upon protein adsorption at solid interfaces is important for biotechnological and medical applications. Because these properties are partly related to the protein flexibility and mobility, we have studied the internal dynamics and the whole-body reorientational rates of two enzymes, staphylococcal nuclease (SNase) and hen egg white lysozyme, over the temperature range of 20–80°C when the proteins are adsorbed at the silica/water interface and, for comparison, when they are dissolved in buffer. The data were obtained using a combination of two experimental techniques, total internal reflection fluorescence spectroscopy and time-resolved fluorescence anisotropy measurements in the frequency domain, with the protein Trp residues as intrinsic fluorescence probes. It has been found that the internal dynamics and the whole-body rotation of SNase and lysozyme are markedly reduced upon adsorption over large temperature ranges. At elevated temperatures, both protein molecules appear completely immobilized and the fractional amplitudes for the whole-body rotation, which are related to the order parameter for the local rotational freedom of the Trp residues, remain constant and do not approach zero. This behavior indicates that the angular range of the Trp reorientation within the adsorbed proteins is largely restricted even at high temperatures, in contrast to that of the dissolved proteins. The results of this study thus provide a deeper understanding of protein activity at solid surfaces. PMID:12668461

Coupling Meteorological, Land Surface and Water Temperature Models in the Mississippi River Basin

Science.gov (United States)

Tang, C.; Cooter, E. J.

2017-12-01

Water temperature is a significant factor influencing of the stream ecosystem and water management especially under climate change. In this study, we demonstrate a physically based semi-Lagrangian water temperature model (RBM) coupled with the Variable Infiltration Capacity (VIC) hydrology model and Weather Research & Forecasting Model (WRF) in the Mississippi River Basin (MRB). The results of this coupling compare favorably with observed water temperature data at river gages throughout the MRB. Further sensitivity analysis shows that mean water temperatures increase by 1.3°C, 1.5°C, and 1.8°C in northern, central and southern MRB zones, respectively, under a hypothetical uniform air temperature increase of 3°C. If air temperatures increase uniformly by 6°C in this scenario, then water temperatures are projected to increase by 3.3°C, 3.5°C and 4.0°C. Lastly, downscaled air temperatures from a global climate model are used to drive the coupled VIC and RBM model from 2020 to 2099. Average stream temperatures from 2020 to 2099 increase by 1°C to 8°C above 1950 to 2010 average water temperatures, with non-uniform increases along the river. In some portions of the MRB, stream temperatures could increase above survival thresholds for several native fish species, which are critical components of the stream ecosystem. The increased water temperature accelerates harmful algal blooming which results in a larger dead zone in the Gulf of Mexico.

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

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.

Temperature dependence of HU values for various water equivalent phantom materials

International Nuclear Information System (INIS)

Homolka, P.; Nowotny, R.; Gahleitner, A.

2002-01-01

The temperature dependence of water equivalent phantom materials used in radiotherapy and diagnostic imaging has been investigated. Samples of phantom materials based on epoxy resin, polyethylene, a polystyrene-polypropylene mixture and commercially available phantom materials (Solid Water TM , Gammex RMI and Plastic Water TM , Nuclear Associates) were scanned at temperatures from 15 to 40 deg. C and HU values determined. At a reference temperature of 20 deg. C materials optimized for CT applications give HU values close to zero while the commercial materials show an offset of 119.77 HU (Plastic Water) and 27.69 HU (Solid Water). Temperature dependence was lowest for epoxy-based materials (EPX-W: -0.23 HU deg. C -1 ; Solid Water: -0.25 HU deg. C -1 ) and highest for a polyethylene-based material (X0: -0.72 HU deg. C -1 ). A material based on a mixture of polystyrene and polypropylene (PSPP1: -0.27 HU deg. C -1 ) is comparable to epoxy-based materials and water (-0.29 HU deg. C -1 ). (author)

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...

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.

Adiabatic flame temperature of sodium combustion and sodium-water reaction

International Nuclear Information System (INIS)

Okano, Y.; Yamaguchi, A.

2001-01-01

In this paper, background information of sodium fire and sodium-water reaction accidents of LMFBR (liquid metal fast breeder reactor) is mentioned at first. Next, numerical analysis method of GENESYS is described in detail. Next, adiabatic flame temperature and composition of sodium combustion are analyzed, and affect of reactant composition, such oxygen and moisture, is discussed. Finally, adiabatic reaction zone temperature and composition of sodium-water reaction are calculated, and affects of reactant composition, sodium vaporization, and pressure are stated. Chemical equilibrium calculation program for generic chemical system (GENESYS) is developed in this study for the research on adiabatic flame temperature of sodium combustion and adiabatic reaction zone temperature of sodium-water reaction. The maximum flame temperature of the sodium combustion is 1,950 K at the standard atmospheric condition, and is not affected by the existence of moisture. The main reaction product is Na 2 O (l) , and in combustion in moist air, with NaOH (g) . The maximum reaction zone temperature of the sodium-water reaction is 1,600 K, and increases with the system pressure. The main products are NaOH (g) , NaOH (l) and H2 (g) . Sodium evaporation should be considered in the cases of sodium-rich and high pressure above 10 bar

Vibrational spectroscopy and molecular dynamics of water monomers and dimers adsorbed on polycyclic aromatic hydrocarbons.

Science.gov (United States)

Simon, Aude; Rapacioli, Mathias; Mascetti, Joëlle; Spiegelman, Fernand

2012-05-21

This paper reports structures, energetics, dynamics and spectroscopy of H2O and (H2O)2 systems adsorbed on coronene (C24H12), a compact polycyclic aromatic hydrocarbon (PAH). On-the-fly Born-Oppenheimer molecular dynamics simulations are performed for temperatures T varying from 10 to 300 K, on a potential energy surface obtained within the self-consistent-charge density-functional based tight-binding (SCC-DFTB) approach. Anharmonic infrared (IR) spectra are extracted from these simulations. We first benchmark the SCC-DFTB semi-empirical hamiltonian vs. DFT (Density Functional Theory) calculations that include dispersion, on (C6H6)(H2O)1,2 small complexes. We find that charge corrections and inclusion of dispersion contributions in DFTB are necessary to obtain consistent structures, energetics and IR spectra. Using this Hamiltonian, the structures, energetics and IR features of the low-energy isomers of (C24H12)(H2O)1,2 are found to be similar to the DFT ones, with evidence for a stabilizing edge-coordination. The temperature dependence of the motions of H2O and (H2O)2 on the surface of C24H12 is analysed, revealing ultra-fast periodic motion. The water dimer starts diffusing at a higher temperature than the water monomer (150 K vs. 10 K respectively), which appears to be consistent with the binding energies. Qualitative and quantitative analyses of the effects of T on the IR spectra are performed. Anharmonic factors in particular are derived and it is shown that they can be used as signatures for the presence of PAH-water complexes. Finally, this paper lays the foundations for the studies of larger (PAH)m(H2O)n clusters, that can be treated with the efficient computational approach benchmarked in this paper.

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

Climate-induced changes in river water temperature in North Iberian Peninsula

Science.gov (United States)

Soto, Benedicto

2017-06-01

This study evaluates the effects of climate change on the thermal regime of 12 rivers in the Northern Iberian Peninsula by using a non-linear regression model that employs air temperature as the only input variable. Prediction of future air temperature was obtained from five regional climate models (RCMs) under emission scenario Special Report on Emissions Scenarios A1B. Prior to simulation of water temperature, air temperature was bias-corrected (B-C) by means of variance scaling (VS) method. This procedure allows an improvement of fit between observed and estimated air temperature for all climate models. The simulation of water temperature for the period 1990-2100 shows an increasing trend, which is higher for the period of June-August (summer) and September-November (autumn) (0.0275 and 0.0281 °C/year) than that of winter (December-February) and spring (March-May) (0.0181 and 0.0218 °C/year). In the high air temperature range, daily water temperature is projected to increase on average by 2.2-3.1 °C for 2061-2090 relative to 1961-1990. During the coldest days, the increment of water temperature would range between 1.0 and 1.7 °C. In fact, employing the numbers of days that water temperature exceeded the upper incipient lethal temperature (UILT) for brown trout (24.7 °C) has been noted that this threshold is exceeded 14.5 days per year in 2061-2090 while in 1961-1990, this values was exceeded 2.6 days per year of mean and 3.6 days per year in observation period (2000-2014).

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.

Ground-water temperature of the Wyoming quadrangle in central Delaware : with application to ground-water-source heat pumps

Science.gov (United States)

Hodges, Arthur L.

1982-01-01

Ground-water temperature was measured during a one-year period (1980-81) in 20 wells in the Wyoming Quadrangle in central Delaware. Data from thermistors set at fixed depths in two wells were collected twice each week, and vertical temperature profiles of the remaining 18 wells were made monthly. Ground-water temperature at 8 feet below land surface in well Jc55-1 ranged from 45.0 degrees F in February to 70.1 degrees F in September. Temperature at 35 feet below land surface in the same well reached a minimum of 56.0 degrees F in August, and a maximum of 57.8 degrees F in February. Average annual temperature of ground water at 25 feet below land surface in all wells ranged from 54.6 degrees F to 57.8 degrees F. Variations of average temperature probably reflect the presence or absence of forestation in the recharge areas of the wells. Ground-water-source heat pumps supplied with water from wells 30 or more feet below land surface will operate more efficiently in both heating and cooling modes than those supplied with water from shallower depths. (USGS)

Incorporating human-water dynamics in a hyper-resolution land surface model

Science.gov (United States)

Vergopolan, N.; Chaney, N.; Wanders, N.; Sheffield, J.; Wood, E. F.

2017-12-01

The increasing demand for water, energy, and food is leading to unsustainable groundwater and surface water exploitation. As a result, the human interactions with the environment, through alteration of land and water resources dynamics, need to be reflected in hydrologic and land surface models (LSMs). Advancements in representing human-water dynamics still leave challenges related to the lack of water use data, water allocation algorithms, and modeling scales. This leads to an over-simplistic representation of human water use in large-scale models; this is in turn leads to an inability to capture extreme events signatures and to provide reliable information at stakeholder-level spatial scales. The emergence of hyper-resolution models allows one to address these challenges by simulating the hydrological processes and interactions with the human impacts at field scales. We integrated human-water dynamics into HydroBlocks - a hyper-resolution, field-scale resolving LSM. HydroBlocks explicitly solves the field-scale spatial heterogeneity of land surface processes through interacting hydrologic response units (HRUs); and its HRU-based model parallelization allows computationally efficient long-term simulations as well as ensemble predictions. The implemented human-water dynamics include groundwater and surface water abstraction to meet agricultural, domestic and industrial water demands. Furthermore, a supply-demand water allocation scheme based on relative costs helps to determine sectoral water use requirements and tradeoffs. A set of HydroBlocks simulations over the Midwest United States (daily, at 30-m spatial resolution for 30 years) are used to quantify the irrigation impacts on water availability. The model captures large reductions in total soil moisture and water table levels, as well as spatiotemporal changes in evapotranspiration and runoff peaks, with their intensity related to the adopted water management strategy. By incorporating human-water dynamics in

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.

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

Effect of water temperature on biofouling development in reverse osmosis membrane systems

KAUST Repository

Farhat, Nadia

2016-07-14

Understanding the factors that determine the spatial and temporal biofilm development is a key to formulate effective control strategies in reverse osmosis membrane systems for desalination and wastewater reuse. In this study, biofilm development was investigated at different water temperatures (10, 20, and 30 °C) inside a membrane fouling simulator (MFS) flow cell. The MFS studies were done at the same crossflow velocity with the same type of membrane and spacer materials, and the same feed water type and nutrient concentration, differing only in water temperature. Spatially resolved biofilm parameters such as oxygen decrease rate, biovolume, biofilm spatial distribution, thickness and composition were measured using in-situ imaging techniques. Pressure drop (PD) increase in time was used as a benchmark as to when to stop the experiments. Biofilm measurements were performed daily, and experiments were stopped once the average PD increased to 40 mbar/cm. The results of the biofouling study showed that with increasing feed water temperature (i) the biofilm activity developed faster, (ii) the pressure drop increased faster, while (iii) the biofilm thickness decreased. At an average pressure drop increase of 40 mbar/cm over the MFS for the different feed water 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 temperature feed water are more susceptible to biofouling than installations fed with low temperature feed water.

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

Biodegradation of Toluene Under Seasonal and Diurnal Fluctuations of Soil-Water Temperature.

KAUST Repository

Yadav, Brijesh K; Shrestha, Shristi R; Hassanizadeh, S Majid

2012-01-01

An increasing interest in bioremediation of hydrocarbon polluted sites raises the question of the influence of seasonal and diurnal changes on soil-water temperature on biodegradation of BTEX, a widespread group of (sub)-surface contaminants. Therefore, we investigated the impact of a wide range of varying soil-water temperature on biodegradation of toluene under aerobic conditions. To see the seasonal impact of temperature, three sets of batch experiments were conducted at three different constant temperatures: 10°C, 21°C, and 30°C. These conditions were considered to represent (1) winter, (2) spring and/or autumn, and (3) summer seasons, respectively, at many polluted sites. Three additional sets of batch experiments were performed under fluctuating soil-water temperature cases (21<>10°C, 30<>21°C, and 10<>30°C) to mimic the day-night temperature patterns expected during the year. The batches were put at two different temperatures alternatively to represent the day (high-temperature) and night (low-temperature) times. The results of constant- and fluctuating-temperature experiments show that toluene degradation is strongly dependent on soil-water temperature level. An almost two-fold increase in toluene degradation time was observed for every 10°C decrease in temperature for constant-temperature cases. Under fluctuating-temperature conditions, toluene degraders were able to overcome the temperature stress and continued thriving during all considered weather scenarios. However, a slightly longer time was taken compared to the corresponding time at daily mean temperature conditions. The findings of this study are directly useful for bioremediation of hydrocarbon-polluted sites having significant diurnal and seasonal variations of soil-water temperature.

Biodegradation of Toluene Under Seasonal and Diurnal Fluctuations of Soil-Water Temperature.

Science.gov (United States)

Yadav, Brijesh K; Shrestha, Shristi R; Hassanizadeh, S Majid

2012-09-01

An increasing interest in bioremediation of hydrocarbon polluted sites raises the question of the influence of seasonal and diurnal changes on soil-water temperature on biodegradation of BTEX, a widespread group of (sub)-surface contaminants. Therefore, we investigated the impact of a wide range of varying soil-water temperature on biodegradation of toluene under aerobic conditions. To see the seasonal impact of temperature, three sets of batch experiments were conducted at three different constant temperatures: 10°C, 21°C, and 30°C. These conditions were considered to represent (1) winter, (2) spring and/or autumn, and (3) summer seasons, respectively, at many polluted sites. Three additional sets of batch experiments were performed under fluctuating soil-water temperature cases (2110°C, 3021°C, and 1030°C) to mimic the day-night temperature patterns expected during the year. The batches were put at two different temperatures alternatively to represent the day (high-temperature) and night (low-temperature) times. The results of constant- and fluctuating-temperature experiments show that toluene degradation is strongly dependent on soil-water temperature level. An almost two-fold increase in toluene degradation time was observed for every 10°C decrease in temperature for constant-temperature cases. Under fluctuating-temperature conditions, toluene degraders were able to overcome the temperature stress and continued thriving during all considered weather scenarios. However, a slightly longer time was taken compared to the corresponding time at daily mean temperature conditions. The findings of this study are directly useful for bioremediation of hydrocarbon-polluted sites having significant diurnal and seasonal variations of soil-water temperature.

Biodegradation of Toluene Under Seasonal and Diurnal Fluctuations of Soil-Water Temperature.

KAUST Repository

Yadav, Brijesh K

2012-05-12

An increasing interest in bioremediation of hydrocarbon polluted sites raises the question of the influence of seasonal and diurnal changes on soil-water temperature on biodegradation of BTEX, a widespread group of (sub)-surface contaminants. Therefore, we investigated the impact of a wide range of varying soil-water temperature on biodegradation of toluene under aerobic conditions. To see the seasonal impact of temperature, three sets of batch experiments were conducted at three different constant temperatures: 10°C, 21°C, and 30°C. These conditions were considered to represent (1) winter, (2) spring and/or autumn, and (3) summer seasons, respectively, at many polluted sites. Three additional sets of batch experiments were performed under fluctuating soil-water temperature cases (21<>10°C, 30<>21°C, and 10<>30°C) to mimic the day-night temperature patterns expected during the year. The batches were put at two different temperatures alternatively to represent the day (high-temperature) and night (low-temperature) times. The results of constant- and fluctuating-temperature experiments show that toluene degradation is strongly dependent on soil-water temperature level. An almost two-fold increase in toluene degradation time was observed for every 10°C decrease in temperature for constant-temperature cases. Under fluctuating-temperature conditions, toluene degraders were able to overcome the temperature stress and continued thriving during all considered weather scenarios. However, a slightly longer time was taken compared to the corresponding time at daily mean temperature conditions. The findings of this study are directly useful for bioremediation of hydrocarbon-polluted sites having significant diurnal and seasonal variations of soil-water temperature.

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

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

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

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

Potential uses of high gradient magnetic filtration for high-temperature water purification in boiling water reactors

International Nuclear Information System (INIS)

Elliott, H.H.; Holloway, J.H.; Abbott, D.G.

1979-01-01

Studies of various high-temperature filter devices indicate a potentially positive impact for high gradient magnetic filtration on boiling water reactor radiation level reduction. Test results on in-plant water composition and impurity crystallography are presented for several typical boiling water reactors (BWRs) on plant streams where high-temperature filtration may be particularly beneficial. An experimental model on the removal of red iron oxide (hematite) from simulated reactor water with a high gradient magnetic filter is presented, as well as the scale-up parameters used to predict the filtration efficiency on various high temperature, in-plant streams. Numerical examples are given to illustrate the crud removal potential of high gradient magnetic filters installed at alternative stream locations under typical, steady-state, plant operating conditions

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.

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

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...

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

Study on elastic-plastic fracture toughness test in high temperature water

International Nuclear Information System (INIS)

Miura, Yasufumi

2016-01-01

Structural integrity of internal components in light water reactors is important for the safety of operation and service lifetime. Fracture toughness is important parameter for structural integrity assessment of nuclear power plant. In general, fracture toughness of materials which compose the components in light water reactor is obtained with fracture toughness tests in air although some components are subjected to high temperature water because of the difficulty of fracture toughness test in high temperature water. However, the effects of high temperature water and hydrogen on fracture behavior of the structural materials in nuclear power plant such as low alloy steel, cast austenitic stainless steel, and Ni base alloy are concerned recently. In this study, elastic-plastic fracture toughness test of low alloy steel in simulated BWR water environment was studied. Fracture toughness test in high temperature water with original clip gage and normalization data reduction technique was established. The difference of fracture toughness J_Q tested in air between using elastic unload compliance method and normalization data reduction technique was also discussed. As a result, obtained value with normalization data reduction technique tended to be higher than the value with elastic unload compliance. (author)

Insights into structural and dynamical features of water at halloysite interfaces probed by DFT and classical molecular dynamics simulations.

Science.gov (United States)

Presti, Davide; Pedone, Alfonso; Mancini, Giordano; Duce, Celia; Tiné, Maria Rosaria; Barone, Vincenzo

2016-01-21

Density functional theory calculations and classical molecular dynamics simulations have been used to investigate the structure and dynamics of water molecules on kaolinite surfaces and confined in the interlayer of a halloysite model of nanometric dimension. The first technique allowed us to accurately describe the structure of the tetrahedral-octahedral slab of kaolinite in vacuum and in interaction with water molecules and to assess the performance of two widely employed empirical force fields to model water/clay interfaces. Classical molecular dynamics simulations were used to study the hydrogen bond network structure and dynamics of water adsorbed on kaolinite surfaces and confined in the halloysite interlayer. The results are in nice agreement with the few experimental data available in the literature, showing a pronounced ordering and reduced mobility of water molecules at the hydrophilic octahedral surfaces of kaolinite and confined in the halloysite interlayer, with respect to water interacting with the hydrophobic tetrahedral surfaces and in the bulk. Finally, this investigation provides new atomistic insights into the structural and dynamical properties of water-clay interfaces, which are of fundamental importance for both natural processes and industrial applications.

Inland Water Temperature: An Ideal Indicator for the National Climate Assessment

Science.gov (United States)

Hook, S. J.; Lenters, J. D.; O'Reilly, C.; Healey, N. C.

2014-12-01

NASA is a significant contributor to the U.S. National Climate Assessment (NCA), which is a central component of the 2012-2022 U.S. Global Change Research Program Strategic Plan. The NCA has identified the need for indicators that provide a clear, concise way of communicating to NCA audiences about not only the status and trends of physical drivers of the climate system, but also the ecological and socioeconomic impacts, vulnerabilities, and responses to those drivers. We are using thermal infrared satellite data in conjunction with in situ measurements to produce water temperatures for all the large inland water bodies in North America for potential use as an indicator for the NCA. Recent studies have revealed significant warming of inland waters throughout the world. The observed rate of warming is - in many cases - greater than that of the ambient air temperature. These rapid, unprecedented changes in inland water temperatures have profound implications for lake hydrodynamics, productivity, and biotic communities. Scientists are just beginning to understand the global extent, regional patterns, physical mechanisms, and ecological consequences of lake warming. As part of our earlier studies we have collected thermal infrared satellite data from those satellite sensors that provide long-term and frequent spaceborne thermal infrared measurements of inland waters including ATSR, AVHRR, and MODIS and used these to examine trends in water surface temperature for approximately 100 of the largest inland water bodies in the world. We are now extending this work to generate temperature time-series of all North American inland water bodies that are sufficiently large to be studied using 1km resolution satellite data for the last 3 decades. These data are then being related to changes in the surface air temperature and compared with regional trends in water surface temperature derived from CMIP5/IPCC model simulations/projections to better predict future temperature changes

SU-F-T-492: The Impact of Water Temperature On Absolute Dose Calibration

Energy Technology Data Exchange (ETDEWEB)

Islam, N [State University of New York at Buffalo, Buffalo, NY (United States); Podgorsak, M [State University of New York at Buffalo, Buffalo, NY (United States); Roswell Park Cancer Institute, Buffalo, NY (United States)

2016-06-15

Purpose: The Task Group 51 (TG 51) protocol prescribes that dose calibration of photon beams be done by irradiating an ionization chamber in a water tank at pre-defined depths. Methodologies are provided to account for variations in measurement conditions by applying correction factors. However, the protocol does not completely account for the impact of water temperature. It is well established that water temperature will influence the density of air in the ion chamber collecting volume. Water temperature, however, will also influence the size of the collecting volume via thermal expansion of the cavity wall and the density of the water in the tank. In this work the overall effect of water temperature on absolute dosimetry has been investigated. Methods: Dose measurements were made using a Farmer-type ion chamber for 6 and 23 MV photon beams with water temperatures ranging from 10 to 40°C. A reference ion chamber was used to account for fluctuations in beam output between successive measurements. Results: For the same beam output, the dose determined using TG 51 was dependent on the temperature of the water in the tank. A linear regression of the data suggests that the dependence is statistically significant with p-values of the slope equal to 0.003 and 0.01 for 6 and 23 MV beams, respectively. For a 10 degree increase in water phantom temperature, the absolute dose determined with TG 51 increased by 0.27% and 0.31% for 6 and 23 MV beams, respectively. Conclusion: There is a measurable effect of water temperature on absolute dose calibration. To account for this effect, a reference temperature can be defined and a correction factor applied to account for deviations from this reference temperature during beam calibration. Such a factor is expected to be of similar magnitude to most of the existing TG 51 correction factors.

SU-F-T-492: The Impact of Water Temperature On Absolute Dose Calibration

International Nuclear Information System (INIS)

Islam, N; Podgorsak, M

2016-01-01

Purpose: The Task Group 51 (TG 51) protocol prescribes that dose calibration of photon beams be done by irradiating an ionization chamber in a water tank at pre-defined depths. Methodologies are provided to account for variations in measurement conditions by applying correction factors. However, the protocol does not completely account for the impact of water temperature. It is well established that water temperature will influence the density of air in the ion chamber collecting volume. Water temperature, however, will also influence the size of the collecting volume via thermal expansion of the cavity wall and the density of the water in the tank. In this work the overall effect of water temperature on absolute dosimetry has been investigated. Methods: Dose measurements were made using a Farmer-type ion chamber for 6 and 23 MV photon beams with water temperatures ranging from 10 to 40°C. A reference ion chamber was used to account for fluctuations in beam output between successive measurements. Results: For the same beam output, the dose determined using TG 51 was dependent on the temperature of the water in the tank. A linear regression of the data suggests that the dependence is statistically significant with p-values of the slope equal to 0.003 and 0.01 for 6 and 23 MV beams, respectively. For a 10 degree increase in water phantom temperature, the absolute dose determined with TG 51 increased by 0.27% and 0.31% for 6 and 23 MV beams, respectively. Conclusion: There is a measurable effect of water temperature on absolute dose calibration. To account for this effect, a reference temperature can be defined and a correction factor applied to account for deviations from this reference temperature during beam calibration. Such a factor is expected to be of similar magnitude to most of the existing TG 51 correction factors.

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.

Assessing the Effects of Water Right Purchases on Stream Temperatures and Fish Habitat

Science.gov (United States)

Elmore, L.; Null, S. E.

2012-12-01

Warm stream temperature and low flow conditions are limiting factors for native trout species in Nevada's Walker River. Water rights purchases are being considered to increase instream flow and improve habitat conditions. However, the effect of water rights purchases on stream temperatures and fish habitat have yet to be assessed. Manipulating flow conditions affect stream temperatures by altering water depth, velocity, and thermal mass. This study uses the River Modeling System (RMSv4), an hourly, physically-based hydrodynamic and water quality model, to estimate flows and stream temperatures in the Walker River. The model is developed for two wet years (2010-2011). Study results highlight reaches with cold-water habitat that is suitable for native trout species. Previous research on the Walker River has evaluated instream flow changes with water rights purchases. This study incorporates stream temperatures as a proxy for trout habitat, and thus explicitly incorporates water quality and fish habitat into decision-making regarding water rights purchases. Walker River

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.

An experimental study on the influence of water stagnation and temperature change on water quality in a full-scale domestic drinking water system.

Science.gov (United States)

Zlatanović, Lj; van der Hoek, J P; Vreeburg, J H G

2017-10-15

The drinking water quality changes during the transport through distribution systems. Domestic drinking water systems (DDWSs), which include the plumbing between the water meter and consumer's taps, are the most critical points in which water quality may be affected. In distribution networks, the drinking water temperature and water residence time are regarded as indicators of the drinking water quality. This paper describes an experimental research on the influence of stagnation time and temperature change on drinking water quality in a full-scale DDWS. Two sets of stagnation experiments, during winter and summer months, with various stagnation intervals (up to 168 h of stagnation) were carried out. Water and biofilms were sampled at two different taps, a kitchen and a shower tap. Results from this study indicate that temperature and water stagnation affect both chemical and microbial quality in DDWSs, whereas microbial parameters in stagnant water appear to be driven by the temperature of fresh water. Biofilm formed in the shower pipe contained more total and intact cells than the kitchen pipe biofilm. Alphaproteobacteria were found to dominate in the shower biofilm (78% of all Proteobacteria), while in the kitchen tap biofilm Alphaproteobacteria, Betaproteobacteria and Gammaproteobacteria were evenly distributed. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Influence of aliphatic amides on the temperature of maximum density of water

International Nuclear Information System (INIS)

Torres, Andrés Felipe; Romero, Carmen M.

2017-01-01

Highlights: • The addition of amides decreases the temperature of maximum density of water suggesting a disruptive effect on water structure. • The amides in aqueous solution do not follow the Despretz equation in the concentration range considered. • The temperature shift Δθ as a function of molality is represented by a second order equation. • The Despretz constants were determined considering the dilute concentration region for each amide solution. • Solute disrupting effect of amides becomes smaller as its hydrophobic character increases. - Abstract: The influence of dissolved substances on the temperature of the maximum density of water has been studied in relation to their effect on water structure as they can change the equilibrium between structured and unstructured species of water. However, most work has been performed using salts and the studies with small organic solutes such as amides are scarce. In this work, the effect of acetamide, propionamide and butyramide on the temperature of maximum density of water was determined from density measurements using a magnetic float densimeter. Densities of aqueous solutions were measured within the temperature range from T = (275.65–278.65) K at intervals of 0.50 K in the concentration range between (0.10000 and 0.80000) mol·kg −1 . The temperature of maximum density was determined from the experimental results. The effect of the three amides is to decrease the temperature of maximum density of water and the change does not follow the Despretz equation. The results are discussed in terms of solute-water interactions and the disrupting effect of amides on water structure.

Effect of water temperature on biofouling development in reverse osmosis membrane systems.

Science.gov (United States)

Farhat, N M; Vrouwenvelder, J S; Van Loosdrecht, M C M; Bucs, Sz S; Staal, M

2016-10-15

Understanding the factors that determine the spatial and temporal biofilm development is a key to formulate effective control strategies in reverse osmosis membrane systems for desalination and wastewater reuse. In this study, biofilm development was investigated at different water temperatures (10, 20, and 30 °C) inside a membrane fouling simulator (MFS) flow cell. The MFS studies were done at the same crossflow velocity with the same type of membrane and spacer materials, and the same feed water type and nutrient concentration, differing only in water temperature. Spatially resolved biofilm parameters such as oxygen decrease rate, biovolume, biofilm spatial distribution, thickness and composition were measured using in-situ imaging techniques. Pressure drop (PD) increase in time was used as a benchmark as to when to stop the experiments. Biofilm measurements were performed daily, and experiments were stopped once the average PD increased to 40 mbar/cm. The results of the biofouling study showed that with increasing feed water temperature (i) the biofilm activity developed faster, (ii) the pressure drop increased faster, while (iii) the biofilm thickness decreased. At an average pressure drop increase of 40 mbar/cm over the MFS for the different feed water 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 temperature feed water are more susceptible to biofouling than installations fed with low temperature feed water. Copyright © 2016 Elsevier Ltd. All rights reserved.

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)

Low-temperature elastic anomalies in CaTiO3: dynamical characterization

Science.gov (United States)

Placeres-Jiménez, R.; Gonçalves, L. G. V.; Rino, J. P.; Fraygola, B.; Nascimento, W. J.; Eiras, J. A.

2012-11-01

Pulse-echo ultrasonic measurements of elastic coefficients of CaTiO3 show anomalous behavior around 200 K, with a notable rise in the attenuation coefficient. Molecular dynamics simulation is used to simulate the elastic response of a mono-domain (MDm) and a poly-domain (PDm) configuration of CaTiO3 using the Vashishta-Raman interatomic potential. The PDm is obtained by cooling the melt from 3600 to 300 K at a rate of 0.5 K ps-1, so that it recrystallizes to the PDm orthorhombic configuration. The elastic behavior is simulated in the temperature range from 300 to 20 K. In the MDm, it is observed that the bulk modulus varies linearly with temperature, while in the PDm an anomalous hardening is seen around 210 K. The bulk modulus of the PDm fluctuates strongly and is lower than that of the MDm. Neither the pair correlation function nor the Ti-Ti-O bonding angle indicate a true structural phase transition in this range of temperatures. Given the absence of any apparent change in the structure, a possible explanation for this phenomenon is the emergence of a certain class of dynamical instability associated with domain wall motion. Curiously, the pressure fluctuations in both the MDm and PDm configurations follow a power law distribution f ˜ P-α, with the exponent independent of applied strain and temperature. Time series for pressure are used to analyze the dynamics by time-delay reconstruction techniques. The calculus of embedding and correlation dimension indicates that in the polycrystalline configuration, low-dimension dynamics (<26) appears, which tend to disappear at higher temperatures.

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)

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)

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

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...

Optimizing conjunctive use of surface water and groundwater resources with stochastic dynamic programming

DEFF Research Database (Denmark)

Davidsen, Claus; Liu, Suxia; Mo, Xinguo

2014-01-01

. A stochastic dynamic programming (SDP) approach is used to minimize the basin-wide total costs arising from water allocations and water curtailments. Dynamic allocation problems with inclusion of groundwater resources proved to be more complex to solve with SDP than pure surface water allocation problems due...... to head-dependent pumping costs. These dynamic pumping costs strongly affect the total costs and can lead to non-convexity of the future cost function. The water user groups (agriculture, industry, domestic) are characterized by inelastic demands and fixed water allocation and water supply curtailment...

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)

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

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

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

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.