WorldWideScience

Sample records for water simulation studies

  1. Self-Radiolysis of Tritiated Water: Experimental Study and Simulation

    International Nuclear Information System (INIS)

    Heinze, Sylver; Stolz, Thibaut; Ducret, Didier; Colson, Jean-Claude

    2005-01-01

    Radioactive decay of tritium contained in tritiated water leads to the production of gaseous helium and, through self-radiolysis, to the formation of molecular hydrogen and oxygen. For safety management of tritiated water storage, it is essential to be able to predict pressure increase resulting from this phenomenon. The present study aims to identify the mechanisms that take place in self-radiolysis of chemically pure liquid tritiated water. The evolution of the concentration of hydrogen and oxygen in the gas phase of closed vessels containing tritiated water has been followed experimentally. Simulation of pure water radiolysis has been carried out using data from the literature. In order to fit experimental results, simulation should take into account gas phase recombination reaction between hydrogen and oxygen. A simplified system has been extracted from the complete chemical system used to simulate radiolysis. This system allows identifying the basic mechanisms that are responsible for tritiated water self-radiolysis

  2. Laboratory simulation studies of uranium mobility in natural waters

    International Nuclear Information System (INIS)

    Giblin, A.M.; Swaine, D.J.; Batts, B.D.

    1981-01-01

    The effects of imposed variations of pH and Eh on aqueous uranium mobility at 25 0 C have been studied in three simulations of natural water systems. Constituents tested for their effect on uranium mobility were: (a) hydrous ferric oxide, to represent adsorptive solids which precipitate or dissolve in response to variations in pH and Eh; (b) kaolinite, representing minerals which, although modified by pH and Eh changes, are present as solids over the pH-Eh range of natural waters; and (c) carbonate, to represent a strong uranium-complexing species. Uranium mobility measurements from each simulation were regressed against pH and Eh within a range appropriate to natural waters. Hydrous ferric oxide and kaolinite each affected uranium mobility, but in separate pH-Eh domains. Aqueous carbonate increased mobility of uranium, and adsorption of UO 2 (CO 3 ) 3 4- caused colloidal dispersion of hydrous ferric oxide, possibly explaining the presence of 'hydrothermal hematite' in some uranium deposits. Enhanced uranium mobility observed in the pH-Eh domains of thermodynamically insoluble uranium oxides could be explained if the oxides were present as colloids. Uranium persisting as a mobile species, even after reduction, has implications for the near surface genesis of uranium ores. (author)

  3. Solubility studies of Np(V) in simulated underground water

    International Nuclear Information System (INIS)

    Zhang Yingjie; Ren Lilong; Jiao Haiyang; Yao Jun; Su Xiguang; Fan Xianhua

    2004-01-01

    The solubility of Np(V) in simulated underground water has been measured with the variation of pH, storage time (0-100 days). All experiments were performed in an Ar glove box which contained high purity Ar, with an oxygen content of less than 5ppm. Experimental results show that the solubility of Np(V) in simulated underground water decreased with increasing pH value of solution; the solubility of Np(V) in simulated underground water determined at different pH is : pH=6.96, [Np(V)]=(3.52±0.37) x 10 -4 mol/L; pH=8.04, [Np(V)]=(8.24±0.32) x 10 -5 mol/L; pH=9.01, [Np(V)]=(3.04±0.48) x 10'- 5 mol/L, respectively. (author)

  4. The Simulation Study of Horizontal Axis Water Turbine Using Flow Simulation Solidworks Application

    Science.gov (United States)

    Prasetyo, H.; Budiana, EP; Tjahjana, DDDP; Hadi, S.

    2018-02-01

    The design of Horizontal Axis Water Turbine in pico hydro power plants involves many parameters. To simplify that, usually using computer simulation is applied. This research performs simulation process variation on turbine blade number, turbine blade curvature angle, turbine bucket angle and blocking system tilt angle. Those four variations were combined in order to obtain the best design of turbine. The study used Flow Simulation Solidworks application, and obtain data on turbine speed, pressure, force, and torque. However, this research focused on turbine torque value. The best design of turbine was obtained in the turbine with 6 blades, blade curvature angle of 65° and bucket angle of 10°, and blocking system tilt angle of 40°. In the best turbine, the produced torque value was 8.464 Nm.

  5. Water hammer simulator

    International Nuclear Information System (INIS)

    Sinha, S.K.; Madia, J.; Dixon, S.

    1995-01-01

    The Consolidated Edison Company of New York, Inc. (Con Edison) has constructed a first-of-a-kind water hammer events simulator for use at its training center. The Learning Center, Con Edison's central training facility, intends to use the simulator as an educational tool to demonstrate the various mechanisms of the water hammer phenomenon to power plant designers, engineers and operators. The water hammer phenomenon has been studied extensively for the past 15 years for the nuclear industry. However, the acknowledge of the various water hammer mechanisms and the measures to prevent or mitigate water hammer have not been widely disseminated among the operators of fossil-fueled power plants. Con Edison personnel who operate the various generation stations and the New York City steam distribution systems are expected to benefit from the new simulator. Knowledge gained from interacting with the simulator will be very important in helping the Con Edison prevent, mitigate, or accommodate water hammer at its facilities. The water hammer simulator was fabricated in Con Edison's central machine shop. Details of the design and construction of the simulator were finalized in consultation with Creare, Inc., an engineering research firm, located in Hanover, New Hampshire. The simulator seeks to recreate the essential features of water hammer in steam mines following the buildup of cold (subcooled) water by condensation and steam-water interaction. This paper describes the fabrication, design, testing, and operation of the Con Edison water hammer simulator. A discussion of how Con Edison plans to use the facility at The Learning Center is included

  6. Water Energy Simulation Toolset

    Energy Technology Data Exchange (ETDEWEB)

    2017-05-17

    The Water-Energy Simulation Toolset (WEST) is an interactive simulation model that helps visualize impacts of different stakeholders on water quantity and quality of a watershed. The case study is applied for the Snake River Basin with the fictional name Cutthroat River Basin. There are four groups of stakeholders of interest: hydropower, agriculture, flood control, and environmental protection. Currently, the quality component depicts nitrogen-nitrate contaminant. Users can easily interact with the model by changing certain inputs (climate change, fertilizer inputs, etc.) to observe the change over the entire system. Users can also change certain parameters to test their management policy.

  7. Computer simulation study of water using a fluctuating charge model

    Indian Academy of Sciences (India)

    Unknown

    Typically, the simulated diffusion constants are larger, and relaxation times smaller than .... where λi is the Lagrange multiplier for the charge neutrality constraint. As the .... For a geometrically rigid model such as SPC, the integral turns out to ...

  8. Communication: Minimum in the thermal conductivity of supercooled water: A computer simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Bresme, F., E-mail: f.bresme@imperial.ac.uk [Chemical Physics Section, Department of Chemistry, Imperial College, London SW7 2AZ, United Kingdom and Department of Chemistry, Norwegian University of Science and Technology, Trondheim 7491 (Norway); Biddle, J. W.; Sengers, J. V.; Anisimov, M. A. [Institute for Physical Science and Technology, and Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, Maryland 20742 (United States)

    2014-04-28

    We report the results of a computer simulation study of the thermodynamic properties and the thermal conductivity of supercooled water as a function of pressure and temperature using the TIP4P-2005 water model. The thermodynamic properties can be represented by a two-structure equation of state consistent with the presence of a liquid-liquid critical point in the supercooled region. Our simulations confirm the presence of a minimum in the thermal conductivity, not only at atmospheric pressure, as previously found for the TIP5P water model, but also at elevated pressures. This anomalous behavior of the thermal conductivity of supercooled water appears to be related to the maximum of the isothermal compressibility or the minimum of the speed of sound. However, the magnitudes of the simulated thermal conductivities are sensitive to the water model adopted and appear to be significantly larger than the experimental thermal conductivities of real water at low temperatures.

  9. Communication: Minimum in the thermal conductivity of supercooled water: A computer simulation study

    International Nuclear Information System (INIS)

    Bresme, F.; Biddle, J. W.; Sengers, J. V.; Anisimov, M. A.

    2014-01-01

    We report the results of a computer simulation study of the thermodynamic properties and the thermal conductivity of supercooled water as a function of pressure and temperature using the TIP4P-2005 water model. The thermodynamic properties can be represented by a two-structure equation of state consistent with the presence of a liquid-liquid critical point in the supercooled region. Our simulations confirm the presence of a minimum in the thermal conductivity, not only at atmospheric pressure, as previously found for the TIP5P water model, but also at elevated pressures. This anomalous behavior of the thermal conductivity of supercooled water appears to be related to the maximum of the isothermal compressibility or the minimum of the speed of sound. However, the magnitudes of the simulated thermal conductivities are sensitive to the water model adopted and appear to be significantly larger than the experimental thermal conductivities of real water at low temperatures

  10. 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...

  11. Water Quality Analysis Simulation

    Science.gov (United States)

    The Water Quality analysis simulation Program, an enhancement of the original WASP. This model helps users interpret and predict water quality responses to natural phenomena and man-made pollution for variious pollution management decisions.

  12. Water Quality Analysis Simulation

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Water Quality analysis simulation Program, an enhancement of the original WASP. This model helps users interpret and predict water quality responses to natural...

  13. A simulation study of homogeneous ice nucleation in supercooled salty water

    Science.gov (United States)

    Soria, Guiomar D.; Espinosa, Jorge R.; Ramirez, Jorge; Valeriani, Chantal; Vega, Carlos; Sanz, Eduardo

    2018-06-01

    We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calculations of the water chemical potential. Using a seeding approach, in which we simulate ice seeds embedded in a supercooled aqueous solution, we compute the nucleation rate as a function of temperature for a 1.85 NaCl mol per water kilogram solution at 1 bar. To improve the accuracy and reliability of our calculations, we combine seeding with the direct computation of the ice-solution interfacial free energy at coexistence using the Mold Integration method. We compare the results with previous simulation work on pure water to understand the effect caused by the solute. The model captures the experimental trend that the nucleation rate at a given supercooling decreases when adding salt. Despite the fact that the thermodynamic driving force for ice nucleation is higher for salty water for a given supercooling, the nucleation rate slows down with salt due to a significant increase of the ice-fluid interfacial free energy. The salty water model predicts an ice nucleation rate that is in good agreement with experimental measurements, bringing confidence in the predictive ability of the model. We expect that the combination of state-of-the-art simulation methods here employed to study ice nucleation from solution will be of much use in forthcoming numerical investigations of crystallization in mixtures.

  14. Simulation of Farmers’ Response to Irrigation Water Pricing and Rationing Policies (Case Study: Zabol City

    Directory of Open Access Journals (Sweden)

    abouzar parhizkari

    2014-10-01

    Full Text Available Considering that agricultural sector is the largest consumer of water, presenting integrated management for water resources and formulating effective policies to increase water productivity in this sector is essential. Therefore, using economic modeling , this study simulated the farmers’ responses to irrigation water pricing and rationing policies in Zabol city. To achieve the study purpose, the State Wide Agricultural Production Model and Positive Mathematical Programming were applied. The required data for the years 2010-2011 was collected by completing questionnaires and collecting data sets from the relevant agencies of Zabol city in personal attendance. The results showed that imposing irrigation water pricing and rationing policies in Zabol city leads to a reduction in the total cultivated area by 9/54 and 5/14 percent and a reduction in the water consumption by 6/23 and 7/01 percent, compared to the base year. Ultimately, irrigation water rationing policy, considering frugality of 18/9 million m3 of water, as the appropriate solution for the sustainability of water resources of Zabol city was proposed.

  15. Water adsorption on amorphous silica surfaces: a Car-Parrinello simulation study

    International Nuclear Information System (INIS)

    Mischler, Claus; Horbach, Juergen; Kob, Walter; Binder, Kurt

    2005-01-01

    A combination of classical molecular dynamics (MD) and ab initio Car-Parrinello molecular dynamics (CPMD) simulations is used to investigate the adsorption of water on a free amorphous silica surface. From the classical MD, SiO 2 configurations with a free surface are generated which are then used as starting configurations for the CPMD. We study the reaction of a water molecule with a two-membered ring at the temperature T = 300 K. We show that the result of this reaction is the formation of two silanol groups on the surface. The activation energy of the reaction is estimated and it is shown that the reaction is exothermic

  16. Simulating Water Resource Disputes of Transboundary River: A Case Study of the Zhanghe River Basin, China

    Science.gov (United States)

    Yuan, Liang; He, Weijun; Liao, Zaiyi; Mulugeta Degefu, Dagmawi; An, Min; Zhang, Zhaofang

    2018-01-01

    Water resource disputes within transboundary river basin has been hindering the sustainable use of water resources and efficient management of environment. The problem is characterized by a complex information feedback loop that involves socio-economic and environmental systems. This paper presents a system dynamics based model that can simulate the dynamics of water demand, water supply, water adequacy and water allocation instability within a river basin. It was used for a case study in the Zhanghe River basin of China. The base scenario has been investigated for the time period between 2000 and 2050. The result shows that the Chinese national government should change the water allocation scheme of downstream Zhanghe River established in 1989, more water need to be allocated to the downstream cities and the actual allocation should be adjusted to reflect the need associated with the socio-economic and environmental changes within the region, and system dynamics improves the understanding of concepts and system interactions by offering a comprehensive and integrated view of the physical, social, economic, environmental, and political systems.

  17. Corrosion Inhibition Study of Al-Cu-Ni Alloy in Simulated Sea-Water ...

    African Journals Online (AJOL)

    A study on the inhibition of Al-Cu-Ni alloy in simulated sea-water environment was investigated using Sodium Chromate as inhibitor. The inhibitor concentration was varied as control, 0.25, 0.5, 1.0, 1.5 and 2.0 Molar. Al-Cu-Ni alloy was sand cast into cylindrical bars of 20 mm x 300 mm dimension. The corrosion of the ...

  18. Simulation supported scenario analysis for water resources planning: a case study in northern italy

    Science.gov (United States)

    Facchi, A.; Gandolfi, C.; Ortuani, B.; Maggi, D.

    2003-04-01

    The work presents the results of a comprehensive modelling study of surface and groundwater systems, including the interaction between irrigation and groundwater resources, for the Muzza-Bassa Lodigiana irrigation district, placed in the southern part of the densely-settled Lombardia plain (northern Italy). The area, of approximately 700 km2, has been selected as: a) it is representative of agricultural and irrigation practices in a wide portion of the plain of Lombardia; b) it has well defined hydrogeological borders, represented by the Adda, Po, and Lambro rivers (respectively East, South and West) and by the Muzza canal (North). The objective of the study is to assess the impact of land use and irrigation water availability on the distribution of crop water consumption in space and time, as well as on the groundwater resources in this wide portion of the Lombardia plain. To achieve this goal, a number of realistic management scenarios, currently under discussion with the regional water authority, have been taken into account. A standard 'base case' has been defined to allow comparative analysis of the results of different scenarios. To carry out the research, an integrated, distributed, catchment-scale simulation package, already developed and applied to the study area, has been used. The simulation system is based on the integration of two hydrological models - a conceptual vadose zone model and the groundwater model MODFLOW. An interface performs the explicit coupling in space and time between the two models. A GIS manages all the information relevant to the study area, as well as all the input, the spatially distributed parameters and the output of the system. The simulation package has been verified for the years 1999-2000 using land use derived from remote-sensed images, reported water availability for irrigation, observed water stage in rivers as well as groundwater level in the alluvial aquifer system.

  19. Numerical Simulation and Experimental Study of Deep Bed Corn Drying Based on Water Potential

    Directory of Open Access Journals (Sweden)

    Zhe Liu

    2015-01-01

    Full Text Available The concept and the model of water potential, which were widely used in agricultural field, have been proved to be beneficial in the application of vacuum drying model and have provided a new way to explore the grain drying model since being introduced to grain drying and storage fields. Aiming to overcome the shortcomings of traditional deep bed drying model, for instance, the application range of this method is narrow and such method does not apply to systems of which pressure would be an influential factor such as vacuum drying system in a way combining with water potential drying model. This study established a numerical simulation system of deep bed corn drying process which has been proved to be effective according to the results of numerical simulation and corresponding experimental investigation and has revealed that desorption and adsorption coexist in deep bed drying.

  20. Glass polymorphism in glycerol-water mixtures: I. A computer simulation study.

    Science.gov (United States)

    Jahn, David A; Wong, Jessina; Bachler, Johannes; Loerting, Thomas; Giovambattista, Nicolas

    2016-04-28

    We perform out-of-equilibrium molecular dynamics (MD) simulations of water-glycerol mixtures in the glass state. Specifically, we study the transformations between low-density (LDA) and high-density amorphous (HDA) forms of these mixtures induced by compression/decompression at constant temperature. Our MD simulations reproduce qualitatively the density changes observed in experiments. Specifically, the LDA-HDA transformation becomes (i) smoother and (ii) the hysteresis in a compression/decompression cycle decreases as T and/or glycerol content increase. This is surprising given the fast compression/decompression rates (relative to experiments) accessible in MD simulations. We study mixtures with glycerol molar concentration χ(g) = 0-13% and find that, for the present mixture models and rates, the LDA-HDA transformation is detectable up to χ(g) ≈ 5%. As the concentration increases, the density of the starting glass (i.e., LDA at approximately χ(g) ≤ 5%) rapidly increases while, instead, the density of HDA remains practically constant. Accordingly, the LDA state and hence glass polymorphism become inaccessible for glassy mixtures with approximately χ(g) > 5%. We present an analysis of the molecular-level changes underlying the LDA-HDA transformation. As observed in pure glassy water, during the LDA-to-HDA transformation, water molecules within the mixture approach each other, moving from the second to the first hydration shell and filling the first interstitial shell of water molecules. Interestingly, similar changes also occur around glycerol OH groups. It follows that glycerol OH groups contribute to the density increase during the LDA-HDA transformation. An analysis of the hydrogen bond (HB)-network of the mixtures shows that the LDA-HDA transformation is accompanied by minor changes in the number of HBs of water and glycerol. Instead, large changes in glycerol and water coordination numbers occur. We also perform a detailed analysis of the effects that

  1. Simulation models: a current indispensable tool in studies of the continuous water-soil-plant - atmosphere

    International Nuclear Information System (INIS)

    Lopez Seijas, Teresa; Gonzalez, Felicita; Cid, G.; Osorio, Maria de los A.; Ruiz, Maria Elena

    2008-01-01

    Full text: This work assesses the current use of simulation models as a tool useful and indispensable for the advancement in the research and study of the processes related to the continuous water-soil - plant-atmosphere. In recent years they have reported in the literature many jobs where these modeling tools are used as a support to the decision-making process of companies or organizations in the agricultural sphere and in Special for the design of optimal management of irrigation and fertilization strategies of the crops. Summarizes some of the latest applications reported with respect to the use of water transfers and solutes, such simulation models mainly to nitrate leaching and groundwater contamination problems. On the other hand also summarizes important applications of simulation models of growth of cultivation for the prediction of effects on the performance of different conditions of water stress, and finally some other applications on the management of the different irrigation technologies as kingpins, superfiail irrigation and drip irrigation. Refer also the main work carried out in Cuba. (author)

  2. Glass polymorphism in glycerol–water mixtures: I. A computer simulation study

    Science.gov (United States)

    Jahn, David A.; Wong, Jessina; Bachler, Johannes; Loerting, Thomas

    2016-01-01

    We perform out-of-equilibrium molecular dynamics (MD) simulations of water–glycerol mixtures in the glass state. Specifically, we study the transformations between low-density (LDA) and high-density amorphous (HDA) forms of these mixtures induced by compression/decompression at constant temperature. Our MD simulations reproduce qualitatively the density changes observed in experiments. Specifically, the LDA–HDA transformation becomes (i) smoother and (ii) the hysteresis in a compression/decompression cycle decreases as T and/or glycerol content increase. This is surprising given the fast compression/decompression rates (relative to experiments) accessible in MD simulations. We study mixtures with glycerol molar concentration χ g = 0–13% and find that, for the present mixture models and rates, the LDA–HDA transformation is detectable up to χ g ≈ 5%. As the concentration increases, the density of the starting glass (i.e., LDA at approximately χ g ≤ 5%) rapidly increases while, instead, the density of HDA remains practically constant. Accordingly, the LDA state and hence glass polymorphism become inaccessible for glassy mixtures with approximately χ g > 5%. We present an analysis of the molecular-level changes underlying the LDA–HDA transformation. As observed in pure glassy water, during the LDA-to-HDA transformation, water molecules within the mixture approach each other, moving from the second to the first hydration shell and filling the first interstitial shell of water molecules. Interestingly, similar changes also occur around glycerol OH groups. It follows that glycerol OH groups contribute to the density increase during the LDA–HDA transformation. An analysis of the hydrogen bond (HB)-network of the mixtures shows that the LDA–HDA transformation is accompanied by minor changes in the number of HBs of water and glycerol. Instead, large changes in glycerol and water coordination numbers occur. We also perform a detailed analysis of the

  3. Geography in the Social Studies: High School Simulation on Water Supply

    Science.gov (United States)

    Dunn, James M.

    2009-01-01

    This is a ready-to-use simulation that has high school students portraying all of the key players that decide how water from the Colorado River will be allocated. Students act as judges, lobbyists, news analysts, and even protesters during a mock water conference. Water supply is promised beyond nature's delivery, so the problem is real and will…

  4. Ejection of solvated ions from electrosprayed methanol/water nanodroplets studied by molecular dynamics simulations.

    Science.gov (United States)

    Ahadi, Elias; Konermann, Lars

    2011-06-22

    The ejection of solvated small ions from nanometer-sized droplets plays a central role during electrospray ionization (ESI). Molecular dynamics (MD) simulations can provide insights into the nanodroplet behavior. Earlier MD studies have largely focused on aqueous systems, whereas most practical ESI applications involve the use of organic cosolvents. We conduct simulations on mixed water/methanol droplets that carry excess NH(4)(+) ions. Methanol is found to compromise the H-bonding network, resulting in greatly increased rates of ion ejection and solvent evaporation. Considerable differences in the water and methanol escape rates cause time-dependent changes in droplet composition. Segregation occurs at low methanol concentration, such that layered droplets with a methanol-enriched periphery are formed. This phenomenon will enhance the partitioning of analyte molecules, with possible implications for their ESI efficiencies. Solvated ions are ejected from the tip of surface protrusions. Solvent bridging prior to ion secession is more extensive for methanol/water droplets than for purely aqueous systems. The ejection of solvated NH(4)(+) is visualized as diffusion-mediated escape from a metastable basin. The process involves thermally activated crossing of a ~30 kJ mol(-1) free energy barrier, in close agreement with the predictions of the classical ion evaporation model.

  5. Simulation programs for ph.D. study of analysis, modeling and optimum design of solar domestic hot water systems

    Energy Technology Data Exchange (ETDEWEB)

    Lin Qin

    1998-12-31

    The design of solar domestic hot water (DHW) systems is a complex process, due to characteristics inherent in the solar heating technology. Recently, computer simulation has become a widely used technique to improve the understanding of the thermal processes in such systems. One of the main objects of the Ph.D. study of `Analysis, Modelling and optimum Design of Solar Domestic Hot Water Systems` is to develop and verify programs for carrying out the simulation and evaluation of the dynamic performance of solar DHW systems. During this study, simulation programs for hot water distribution networks and for certain types of solar DHW systems were developed. (au)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-06-28

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

  7. 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%.

  8. Microbial Safety of Low Water Activity Foods: Study of Simulated and Durban Household Samples

    Directory of Open Access Journals (Sweden)

    O. A. Ijabadeniyi

    2017-01-01

    Full Text Available Sixty household low water activity foods were examined and a simulative study was conducted in a high sugar, low aw almond and macadamia butter to determine the survival of Bacillus cereus and Staphylococcus aureus ATCC 25923. Results obtained from 60 low aw samples collected at household level had some significant differences (P≤0,05 within food categories amongst the various tests. Spices had the highest number of aerobic bacteria, aerobic spore-formers, anaerobic spore-formers, and S. aureus. Mean aerobic colony counts for nuts and spices were 2.30 log CFU/g and 4.40 log CFU/g, respectively. Pathogens such as Escherichia coli and Cronobacter sakazakii were present in nuts, whilst Salmonella spp. was present in chocolates. This implies that certain low aw foods may present a public health risk. In the simulative study, temperature and high sucrose concentrations played a significant role in the survival of B. cereus and S. aureus ATCC 25923. B. cereus was found to be more osmotolerant at both reduced and elevated temperatures (18°C and 25°C in the 12% sucrose sample in both butters, whilst S. aureus ATCC 25923 seemed to grow better in sucrose-free samples at both temperatures in both butters. This implies that certain low aw foods may present a public health risk. Also, B. cereus, being a spore-forming bacterium, can be osmotolerant at both reduced and elevated temperatures.

  9. The study of production performance of water heater manufacturing by using simulation method

    Science.gov (United States)

    Iqbal, M.; Bamatraf, OAA; Tadjuddin, M.

    2018-02-01

    In industrial companies, as demand increases, decision-making to increase production becomes difficult due to the complexity of the model systems. Companies are trying to find the optimum methods to tackle such problems so that resources are utilized and production is increased. One line system of a manufacturing company in Malaysia was considered in this research. The Company produces several types of water heater and each type went into many processes, which was divided into twenty six sections. Each section has several operations. The main type of the product was 10G water heater which is produced most compare to other types, hence it was taken under consideration to be studied in this research. It was difficult to find the critical section that could improve the productions of the company. This research paper employed Delmia Quest software, Distribution Analyser software and Design of Experiment (DOE software) to simulate one model system taken from the company to be studied and to find the critical section that will improve the production system. As a result, assembly of inner and outer tank section were found to be the bottleneck section. Adding one section to the bottleneck increases the production rate by four products a day. The buffer size is determined by the experiment was six items.

  10. A simulation study on the operating performance of a solar-air source heat pump water heater

    International Nuclear Information System (INIS)

    Xu Guoying; Zhang Xiaosong; Deng Shiming

    2006-01-01

    A simulation study on the operating performance of a new type of solar-air source heat pump water heater (SAS-HPWH) has been presented. The SAS-HPWH used a specially designed flat-plate heat collector/evaporator with spiral-finned tubes to obtain energy from both solar irradiation and ambient air for hot water heating. Using the meteorological data in Nanjing, China, the simulation results based on 150 L water heating capacity showed that such a SAS-HPWH can heat water up to 55 deg. C efficiently under various weather conditions all year around. In this simulation study, the influences of solar radiation, ambient temperature and compressor capacity on the performance of the SAS-HPWH were analyzed. In order to improve the overall operating performance, the use of a variable-capacity compressor has been proposed

  11. Simulation study of a hydrostat design for detecting underground leakage of water supply using neutron backscattering

    International Nuclear Information System (INIS)

    Kurosawa, Tadahiro; Nakamura, Takashi; Suzuki, Takashi; Okano, Yasuhiro; Chisaka, Haruo

    1998-01-01

    We have embarked upon the development of a new detection method for underground water leakage using a neutron backscattering system. We have estimated the performance capabilities of such a system using Monte Carlo simulation. It is indicated that a leak which results in 40% water content in the surrounding soils could be detected at depths of up to 40 cm from the surface to the center of the source of leakage. This new detection system could be useful as a hydrostat of underground water supply in noisy areas such as Tokyo, in place of presently-used hydrostats which are based on detection of changes in sound

  12. Simulation study of soil water and heat dynamics at two sites with significant preferential flow

    Science.gov (United States)

    Votrubova, J.; Vogel, T.; Dohnal, M.; Tesar, M.

    2012-04-01

    Numerical models based on two hydraulically contrasting flow domains coupled through a simple transfer formula have become a useful tool for modeling both water flow and associated substance transport in structured soils. A comparative numerical study focused on the preferential flow effects on the soil heat transport is presented. Sites located in two different headwater catchments were included. Experimental catchment Liz is situated in a forested mountain area of Sumava Mts. in the southern part of the Czech Republic (altitude: 830 m, mean annual temperature: 6.3°C, mean annual precipitation: 861 mm). Uhlirska catchment is located in the north-west of the Czech Republic in Jizera Mts. and is currently undergoing reforestation (altitude: 820 m, mean annual temperature: 4.6°C, mean annual precipitation: 1400 mm). Both sites are instrumented for monitoring of the relevant meteorological and hydrological variables, as well as the soil moisture and temperature distribution. Changes of the soil water content and temperature during vegetation season were simulated. Model performance was qualitatively evaluated and shown to replicate the field measurements. The soils' heat budgets and the preferential flow effect thereon was compared and analyzed.

  13. Spontaneous assembly of HSP90 inhibitors at water/octanol interface: A molecular dynamics simulation study

    Science.gov (United States)

    Zolghadr, Amin Reza; Boroomand, Samaneh

    2017-02-01

    Drug absorption at an acceptable dose depends on the pair of solubility and permeability. There are many potent therapeutics that are not active in vivo, presumably due to the lack of capability to cross the cell membrane. Molecular dynamics simulation of radicicol, diol-radicicol, cyclopropane-radicicol and 17-DMAG were performed at water/octanol interface to suggest interfacial activity as a physico-chemical characteristic of these heat shock protein 90 (HSP90) inhibitors. We have observed that orally active HSP90 inhibitors form aggregates at the water/octanol and DPPC-lipid/water interfaces by starting from an initial configuration with HSP90 inhibitors embedded in the water matrix.

  14. Corrosion Inhibition Study of Al-Cu-Ni Alloy in Simulated Sea-Water ...

    African Journals Online (AJOL)

    Akorede

    ABSTRACT: A study on the inhibition of Al-Cu-Ni alloy in simulated ... which the percentage of Copper, and Nickel were kept .... proceed based on equation of reaction in eqn (4). Al .... Sodium-Modified A356.0-Type Al-Si-Mg Alloy in Simulated.

  15. Comparative study of structural properties of trehalose water solutions by neutron diffraction, synchrotron radiation and simulation

    Energy Technology Data Exchange (ETDEWEB)

    Cesaro, A.; Magazu, V.; Migliardo, F.; Sussich, F.; Vadala, M

    2004-07-15

    Neutron diffraction measurements combined with H/D substitution have been performed on trehalose aqueous solutions as a function of temperature and concentration by using the SANDALS diffractometer at ISIS Facility (UK). The findings point out a high capability of trehalose to strongly affect the tetrahedral hydrogen bond network of water. The neutron diffraction results are also compared with simulation and experimental data obtained by synchrotron radiation on the phospholipid bilayer membranes (DPPC)/trehalose/H{sub 2}O ternary system.

  16. Experimental study of simulant melt stream-water thermal interaction in pool and narrow geometries

    International Nuclear Information System (INIS)

    Narayanan, K.S.; Jasmin Sudha, A.; Murthy, S.S.; Rao, E.H.V.M.; Lydia, G.; Das, S.K.; Harvey, J.; Kannan, S.E.

    2005-01-01

    Full text of publication follows: Small scale experiments were carried out to investigate the thermal interaction characteristics of a few kilograms of Sn Pb, Bi and Zn as hot melt, in the film boiling region of water in an attempt to simulate a coherent fuel coolant interaction during a postulated severe accident in a nuclear reactor. Melt stream solidification and detached debris generation were studied with different melt superheat up to 200 deg. C, at different coolant temperatures of 30 deg. C, 50 deg. C, 70 deg. C, 90 deg. C, in pool geometry and in long narrow coolant column. The material was heated in an Alumina crucible and poured through a hot stainless steel funnel with a nozzle diameter of 7.7 mm, into the coolant. A stainless steel plate was used to collect the solidified mass after the interaction. Temperature monitoring was done in the coolant column close to the melt stream. The melt stream movement inside the coolant was imaged using a video camera at 25 fps. Measured melt stream entry velocity was around 1.5 m/sec. For low melt superheat and low coolant temperature, solidified porous tree like structure extended from the collector plate up to the melt release point. For water temperature of 70 deg. C, the solidified bed height at the center was found to decrease with increase in the melt superheat up to 150 deg. C. Fragmentation was found to occur when the melt superheat exceeded 200 deg. C. Particle size distribution was obtained for the fragmented debris. In 1D geometry, with 50 deg. C superheat, columnar solidification was observed with no fine debris. The paper gives the details of the results obtained in the experiments and highlights the role of Rayleigh-Taylor, Kelvin-Helmholtz instabilities and the melt physical properties on the fragmentation kinetics. (authors)

  17. Experiment and simulation study of laser dicing silicon with water-jet

    Energy Technology Data Exchange (ETDEWEB)

    Bao, Jiading; Long, Yuhong, E-mail: longyuhong@guet.edu.cn; Tong, Youqun; Yang, Xiaoqing; Zhang, Bin; Zhou, Zupeng

    2016-11-30

    Highlights: • The explosive melt expulsion could be a dominant process for the laser ablating silicon in liquids with ns-pulsed laser of 1064 nm irradiating. • Self-focusing phenomenon was found and its causes are analyzed. • SPH modeling technique was employed to understand the effect of water and water-jet on debris removal during water-jet laser machining. - Abstract: Water-jet laser processing is an internationally advanced technique, which combines the advantages of laser processing with water jet cutting. In the study, the experiment of water-jet laser dicing are conducted with ns pulsed laser of 1064 nm irradiating, and Smooth Particle Hydrodynamic (SPH) technique by AUTODYN software was modeled to research the fluid dynamics of water and melt when water jet impacting molten material. The silicon surface morphology of the irradiated spots has an appearance as one can see in porous formation. The surface morphology exhibits a large number of cavities which indicates as bubble nucleation sites. The observed surface morphology shows that the explosive melt expulsion could be a dominant process for the laser ablating silicon in liquids with nanosecond pulse laser of 1064 nm irradiating. Self-focusing phenomenon was found and its causes are analyzed. Smooth Particle Hydrodynamic (SPH) modeling technique was employed to understand the effect of water and water-jet on debris removal during water-jet laser machining.

  18. Water Orientation at Ceramide/Water Interfaces Studied by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulation

    KAUST Repository

    Adhikari, Aniruddha

    2016-10-10

    Lipid/water interaction is essential for many biological processes. The water structure at the nonionic lipid interface remains little known, and there is no scope of a priori prediction of water orientation at nonionic interfaces, either. Here, we report our study combining advanced nonlinear spectroscopy and molecular dynamics simulation on the water orientation at the ceramide/water interface. We measured χ spectrum in the OH stretch region of ceramide/isotopically diluted water interface using heterodyne-detected vibrational sum-frequency generation spectroscopy and found that the interfacial water prefers an overall hydrogen-up orientation. Molecular dynamics simulation indicates that this preferred hydrogen-up orientation of water is determined by a delicate balance between hydrogen-up and hydrogen-down orientation induced by lipid-water and intralipid hydrogen bonds. This mechanism also suggests that water orientation at neutral lipid interfaces depends highly on the chemical structure of the lipid headgroup, in contrast to the charged lipid interfaces where the net water orientation is determined solely by the charge of the lipid headgroup.

  19. Simulation Programs for Ph.D. Study of Analysis, Modeling and Optimum Design of Solar Domestic Hot Water Systems

    DEFF Research Database (Denmark)

    Qin, Lin

    1999-01-01

    The design of solar domestic hot water system is a complex process, due to characteristics inherent in solar heating technology. Recently, computer simulation has become a widely used technique to improve the understanding of the thermal processes in such systems. This report presents the detaile...... programs or units that were developed in the Ph.D study of " Analysis, Modeling and Optimum Design of Solar Domestic Hot Water Systems"....

  20. Water around fullerene shape amphiphiles: A molecular dynamics simulation study of hydrophobic hydration

    Energy Technology Data Exchange (ETDEWEB)

    Varanasi, S. R., E-mail: s.raovaranasi@uq.edu.au, E-mail: guskova@ipfdd.de; John, A. [Institut Theorie der Polymere, Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, Dresden D-01069 (Germany); Guskova, O. A., E-mail: s.raovaranasi@uq.edu.au, E-mail: guskova@ipfdd.de [Institut Theorie der Polymere, Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, Dresden D-01069 (Germany); Dresden Center for Computational Materials Science (DCMS), Technische Universität Dresden, Dresden D-01069 (Germany); Sommer, J.-U. [Institut Theorie der Polymere, Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, Dresden D-01069 (Germany); Dresden Center for Computational Materials Science (DCMS), Technische Universität Dresden, Dresden D-01069 (Germany); Institut für Theoretische Physik, Technische Universität Dresden, Zellescher Weg 17, Dresden D-01069 (Germany)

    2015-06-14

    Fullerene C{sub 60} sub-colloidal particle with diameter ∼1 nm represents a boundary case between small and large hydrophobic solutes on the length scale of hydrophobic hydration. In the present paper, a molecular dynamics simulation is performed to investigate this complex phenomenon for bare C{sub 60} fullerene and its amphiphilic/charged derivatives, so called shape amphiphiles. Since most of the unique properties of water originate from the pattern of hydrogen bond network and its dynamics, spatial, and orientational aspects of water in solvation shells around the solute surface having hydrophilic and hydrophobic regions are analyzed. Dynamical properties such as translational-rotational mobility, reorientational correlation and occupation time correlation functions of water molecules, and diffusion coefficients are also calculated. Slower dynamics of solvent molecules—water retardation—in the vicinity of the solutes is observed. Both the topological properties of hydrogen bond pattern and the “dangling” –OH groups that represent surface defects in water network are monitored. The fraction of such defect structures is increased near the hydrophobic cap of fullerenes. Some “dry” regions of C{sub 60} are observed which can be considered as signatures of surface dewetting. In an effort to provide molecular level insight into the thermodynamics of hydration, the free energy of solvation is determined for a family of fullerene particles using thermodynamic integration technique.

  1. Water around fullerene shape amphiphiles: A molecular dynamics simulation study of hydrophobic hydration

    International Nuclear Information System (INIS)

    Varanasi, S. R.; John, A.; Guskova, O. A.; Sommer, J.-U.

    2015-01-01

    Fullerene C 60 sub-colloidal particle with diameter ∼1 nm represents a boundary case between small and large hydrophobic solutes on the length scale of hydrophobic hydration. In the present paper, a molecular dynamics simulation is performed to investigate this complex phenomenon for bare C 60 fullerene and its amphiphilic/charged derivatives, so called shape amphiphiles. Since most of the unique properties of water originate from the pattern of hydrogen bond network and its dynamics, spatial, and orientational aspects of water in solvation shells around the solute surface having hydrophilic and hydrophobic regions are analyzed. Dynamical properties such as translational-rotational mobility, reorientational correlation and occupation time correlation functions of water molecules, and diffusion coefficients are also calculated. Slower dynamics of solvent molecules—water retardation—in the vicinity of the solutes is observed. Both the topological properties of hydrogen bond pattern and the “dangling” –OH groups that represent surface defects in water network are monitored. The fraction of such defect structures is increased near the hydrophobic cap of fullerenes. Some “dry” regions of C 60 are observed which can be considered as signatures of surface dewetting. In an effort to provide molecular level insight into the thermodynamics of hydration, the free energy of solvation is determined for a family of fullerene particles using thermodynamic integration technique

  2. Numerical simulation study on the air/water countercurrent flow limitation in nuclear reactors

    Energy Technology Data Exchange (ETDEWEB)

    Morghi, Youssef; Mesquita, Amir Z., E-mail: ssfmorghi@gmail.com, E-mail: amir@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil); Puente, Jesus, E-mail: jpuente720@gmail.com [Centro Federal de Educaçao Tecnologica Celso Suckowda Fonseca (CEFET), Angra dos Reis, RJ (Brazil); Baliza, Ana R., E-mail: baliza@eletronuclear.gov.br [Eletrobras Eletronuclear Angra dos Reis, RJ (Brazil)

    2017-07-01

    After a loss-of-coolant accident (LOCA) in a Pressurized Water Reactor (PWR), the temperature of the fuel elements cladding increases dramatically due to the heat produced by the fission products decay, which is not adequately removed by the vapor contained in the core. In order to avoid this sharp rise in temperature and consequent melting of the core, the Emergency Core Cooling System is activated. This system initially injects borated water from accumulator tanks of the reactor through the inlet pipe (cold leg) and the outlet pipe (hot leg), or through the cold leg only, depending on the plant manufacturer. Some manufacturers add to this, direct injection into the upper plenum of the reactor. The penetration of water into the reactor core is a complex thermo fluid dynamic process because it involves the mixing of water with the vapor contained in the reactor, added to that generated in the contact of the water with the still hot surfaces in various geometries. In some critical locations, the vapor flowing in the opposite direction of the water can control the penetration of this into the core. This phenomenon is known as Countercurrent Flow Limitation (CCFL) or Flooding, and it is characterized by the control that a gas exerts in the liquid flow in the opposite direction. This work presents a proposal to use a CFD to simulate the CCFL phenomenon. Numerical computing can provide important information and data that is difficult or expensive to measure or test experimentally. Given the importance of computational science today, it can be considered a third and independent branch of science on an equal footing with the theoretical and experimental sciences. (author)

  3. Water simulation of sodium reactors

    International Nuclear Information System (INIS)

    Grewal, S.S.; Gluekler, E.L.

    1981-01-01

    The thermal hydraulic simulation of a large sodium reactor by a scaled water model is examined. The Richardson Number, friction coefficient and the Peclet Number can be closely matched with the water system at full power and the similarity is retained for buoyancy driven flows. The simulation of thermal-hydraulic conditions in a reactor vessel provided by a scaled water experiment is better than that by a scaled sodium test. Results from a correctly scaled water test can be tentatively extrapolated to a full size sodium system

  4. A method of simulating voids in experimental studies of boiling water reactors

    International Nuclear Information System (INIS)

    Down, H.J.; Dickie, J.; Fox, W.N.

    1963-11-01

    The coolant density in boiling water reactors may vary from 3 at pressures up to 1000 p.s.i. In order to study the effect of reduced water density on reactivity in unpressurized experimental systems, the effective water density is reduced by packing small beads of highly expanded polystyrene into the fuel clusters and flooding the interstices with water. Coolant densities of from 0.4 to 0.6 gm/cm 3 may be produced with the introduction of only about 0.4 gm/cm 3 of non-hydrogeneous material. This memorandum describes the production, properties and handling of polystyrene beads and the tests carried out to establish the validity of the technique. (author)

  5. Exploring the conserved water site and hydration of a coiled-coil trimerisation motif: a MD simulation study.

    Science.gov (United States)

    Dolenc, Jozica; Baron, Riccardo; Missimer, John H; Steinmetz, Michel O; van Gunsteren, Wilfred F

    2008-07-21

    The solvent structure and dynamics around ccbeta-p, a 17-residue peptide that forms a parallel three-stranded alpha-helical coiled coil in solution, was analysed through 10 ns explicit solvent molecular dynamics (MD) simulations at 278 and 330 K. Comparison with two corresponding simulations of the monomeric form of ccbeta-p was used to investigate the changes of hydration upon coiled-coil formation. Pronounced peaks in the solvent density distribution between residues Arg8 and Glu13 of neighbouring helices show the presence of water bridges between the helices of the ccbeta-p trimer; this is in agreement with the water sites observed in X-ray crystallography experiments. Interestingly, this water site is structurally conserved in many three-stranded coiled coils and, together with the Arg and Glu residues, forms part of a motif that determines three-stranded coiled-coil formation. Our findings show that little direct correlation exists between the solvent density distribution and the temporal ordering of water around the trimeric coiled coil. The MD-calculated effective residence times of up to 40 ps show rapid exchange of surface water molecules with the bulk phase, and indicate that the solvent distribution around biomolecules requires interpretation in terms of continuous density distributions rather than in terms of discrete molecules of water. Together, our study contributes to understanding the principles of three-stranded coiled-coil formation.

  6. Numerical Simulation Study on Steam-Assisted Gravity Drainage Performance in a Heavy Oil Reservoir with a Bottom Water Zone

    Directory of Open Access Journals (Sweden)

    Jun Ni

    2017-12-01

    Full Text Available In the Pikes Peak oil field near Lloydminster, Canada, a significant amount of heavy oil reserves is located in reservoirs with a bottom water zone. The properties of the bottom water zone and the operation parameters significantly affect oil production performance via the steam-assisted gravity drainage (SAGD process. Thus, in order to develop this type of heavy oil resource, a full understanding of the effects of these properties is necessary. In this study, the numerical simulation approach was applied to study the effects of properties in the bottom water zone in the SAGD process, such as the initial gas oil ratio, the thickness of the reservoir, and oil saturation of the bottom water zone. In addition, some operation parameters were studied including the injection pressure, the SAGD well pair location, and five different well patterns: (1 two corner wells, (2 triple wells, (3 downhole water sink well, (4 vertical injectors with a horizontal producer, and (5 fishbone well. The numerical simulation results suggest that the properties of the bottom water zone affect production performance extremely. First, both positive and negative effects were observed when solution gas exists in the heavy oil. Second, a logarithmical relationship was investigated between the bottom water production ratio and the thickness of the bottom water zone. Third, a non-linear relation was obtained between the oil recovery factor and oil saturation in the bottom water zone, and a peak oil recovery was achieved at the oil saturation rate of 30% in the bottom water zone. Furthermore, the operation parameters affected the heavy oil production performance. Comparison of the well patterns showed that the two corner wells and the triple wells patterns obtained the highest oil recovery factors of 74.71% and 77.19%, respectively, which are almost twice the oil recovery factors gained in the conventional SAGD process (47.84%. This indicates that the optimized SAGD process

  7. Pressure-induced transformations in glassy water: A computer simulation study using the TIP4P/2005 model

    Science.gov (United States)

    Wong, Jessina; Jahn, David A.; Giovambattista, Nicolas

    2015-08-01

    We study the pressure-induced transformations between low-density amorphous (LDA) and high-density amorphous (HDA) ice by performing out-of-equilibrium molecular dynamics (MD) simulations. We employ the TIP4P/2005 water model and show that this model reproduces qualitatively the LDA-HDA transformations observed experimentally. Specifically, the TIP4P/2005 model reproduces remarkably well the (i) structure (OO, OH, and HH radial distribution functions) and (ii) densities of LDA and HDA at P = 0.1 MPa and T = 80 K, as well as (iii) the qualitative behavior of ρ(P) during compression-induced LDA-to-HDA and decompression-induced HDA-to-LDA transformations. At the rates explored, the HDA-to-LDA transformation is less pronounced than in experiments. By studying the LDA-HDA transformations for a broad range of compression/decompression temperatures, we construct a "P-T phase diagram" for glassy water that is consistent with experiments and remarkably similar to that reported previously for ST2 water. This phase diagram is not inconsistent with the possibility of TIP4P/2005 water exhibiting a liquid-liquid phase transition at low temperatures. A comparison with previous MD simulation studies of SPC/E and ST2 water as well as experiments indicates that, overall, the TIP4P/2005 model performs better than the SPC/E and ST2 models. The effects of cooling and compression rates as well as aging on our MD simulations results are also discussed. The MD results are qualitatively robust under variations of cooling/compression rates (accessible in simulations) and are not affected by aging the hyperquenched glass for at least 1 μs. A byproduct of this work is the calculation of TIP4P/2005 water's diffusion coefficient D(T) at P = 0.1 MPa. It is found that, for T ≥ 210 K, D(T) ≈ (T - TMCT)-γ as predicted by mode coupling theory and in agreement with experiments. For TIP4P/2005 water, TMCT = 209 K and γ = 2.14, very close to the corresponding experimental values TMCT = 221 K

  8. The use of CFD code for numerical simulation study on the air/water countercurrent flow limitation in nuclear reactors

    Energy Technology Data Exchange (ETDEWEB)

    Morghi, Youssef; Mesquita, Amir Zacarias; Santos, Andre Augusto Campagnole dos; Vasconcelos, Victor, E-mail: ymo@cdtn.br, E-mail: amir@cdtn.br, E-mail: aacs@cdtn.br, E-mail: vitors@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2015-07-01

    For the experimental study on the air/water countercurrent flow limitation in Nuclear Reactors, were built at CDTN an acrylic test sections with the same geometric shape of 'hot leg' of a Pressurized Water Reactor (PWR). The hydraulic circuit is designed to be used with air and water at pressures near to atmospheric and ambient temperature. Due to the complexity of the CCFL experimental, the numerical simulation has been used. The aim of the numerical simulations is the validation of experimental data. It is a global trend, the use of computational fluid dynamics (CFD) modeling and prediction of physical phenomena related to heat transfer in nuclear reactors. The most used CFD codes are: FLUENT®, STAR- CD®, Open Foam® and CFX®. In CFD, closure models are required that must be validated, especially if they are to be applied to nuclear reactor safety. The Thermal- Hydraulics Laboratory of CDTN offers computing infrastructure and license to use commercial code CFX®. This article describes a review about CCFL and the use of CFD for numerical simulation of this phenomenal for Nuclear Rector. (author)

  9. The use of CFD code for numerical simulation study on the air/water countercurrent flow limitation in nuclear reactors

    International Nuclear Information System (INIS)

    Morghi, Youssef; Mesquita, Amir Zacarias; Santos, Andre Augusto Campagnole dos; Vasconcelos, Victor

    2015-01-01

    For the experimental study on the air/water countercurrent flow limitation in Nuclear Reactors, were built at CDTN an acrylic test sections with the same geometric shape of 'hot leg' of a Pressurized Water Reactor (PWR). The hydraulic circuit is designed to be used with air and water at pressures near to atmospheric and ambient temperature. Due to the complexity of the CCFL experimental, the numerical simulation has been used. The aim of the numerical simulations is the validation of experimental data. It is a global trend, the use of computational fluid dynamics (CFD) modeling and prediction of physical phenomena related to heat transfer in nuclear reactors. The most used CFD codes are: FLUENT®, STAR- CD®, Open Foam® and CFX®. In CFD, closure models are required that must be validated, especially if they are to be applied to nuclear reactor safety. The Thermal- Hydraulics Laboratory of CDTN offers computing infrastructure and license to use commercial code CFX®. This article describes a review about CCFL and the use of CFD for numerical simulation of this phenomenal for Nuclear Rector. (author)

  10. Simulating radial dose of ion tracks in liquid water simulated with Geant4-DNA: A comparative study

    Czech Academy of Sciences Publication Activity Database

    Incerti, S.; Psaltaki, M.; Gillet, P.; Barberet, P.; Bardies, M.; Bernal, M. A.; Bordage, M. C.; Breton, V.; Davídková, Marie; Delage, E.; El Bitar, Z.; Francis, Z.; Guatelli, S.; Ivanchenko, A.; Ivanchenko, V.; Karamitros, M.; Lee, S. B.; Maigne, L.; Meylan, S.; Murakami, K.; Nieminen, P.; Payno, H.; Perrot, Y.; Petrovic, I.; Pham, Q. T.; Ristic-Fira, A.; Santin, G.; Sasaki, T.; Seznec, H.; Shin, J. I.; Štěpán, Václav; Tran, H. N.; Villagrasa, C.

    2014-01-01

    Roč. 333, AUG (2014), s. 92-98 ISSN 0168-583X Institutional support: RVO:61389005 Keywords : Monte-Carlo- Simulation * Tissue-Equivalent gas * heavy-ion * Alpha-Beams * Particles * Dosimetry * Protons * Models * Codes * Path Subject RIV: BO - Biophysics Impact factor: 1.124, year: 2014

  11. Water allocation assessment in low flow river under data scarce conditions: a study of hydrological simulation in Mediterranean basin.

    Science.gov (United States)

    Bangash, Rubab F; Passuello, Ana; Hammond, Michael; Schuhmacher, Marta

    2012-12-01

    River Francolí is a small river in Catalonia (northeastern Spain) with an average annual low flow (~2 m(3)/s). The purpose of the River Francolí watershed assessments is to support and inform region-wide planning efforts from the perspective of water protection, climate change and water allocation. In this study, a hydrological model of the Francolí River watershed was developed for use as a tool for watershed planning, water resource assessment, and ultimately, water allocation purposes using hydrological data from 2002 to 2006 inclusive. The modeling package selected for this application is DHI's MIKE BASIN. This model is a strategic scale water resource management simulation model, which includes modeling of both land surface and subsurface hydrological processes. Topographic, land use, hydrological, rainfall, and meteorological data were used to develop the model segmentation and input. Due to the unavailability of required catchment runoff data, the NAM rainfall-runoff model was used to calculate runoff of all the sub-watersheds. The results reveal a potential pressure on the availability of groundwater and surface water in the lower part of River Francolí as was expected by the IPCC for Mediterranean river basins. The study also revealed that due to the complex hydrological regime existing in the study area and data scarcity, a comprehensive physically based method was required to better represent the interaction between groundwater and surface water. The combined ArcGIS/MIKE BASIN models appear as a useful tool to assess the hydrological cycle and to better understand water allocation to different sectors in the Francolí River watershed. Copyright © 2012 Elsevier B.V. All rights reserved.

  12. Enhanced phosphorus reduction in simulated eutrophic water: a comparative study of submerged macrophytes, sediment microbial fuel cells, and their combination.

    Science.gov (United States)

    Xu, Peng; Xiao, Enrong; Xu, Dan; Li, Juan; Zhang, Yi; Dai, Zhigang; Zhou, Qiaohong; Wu, Zhenbin

    2018-05-01

    The phosphorus reduction in water column was attempted by integrating sediment microbial fuel cells (SMFCs) with the submerged macrophyte Vallisneria spiralis. A comparative study was conducted to treat simulated water rich in phosphate with a control and three treatments: SMFC alone (SMFC), submerged macrophytes alone (macophyte), and combined macrophytes and fuel cells (M-SMFC). All treatments promoted phosphorus flux from the water column to sediments. Maximum phosphorus reduction was obtained in proportion to the highest stable phosphorus level in sediments in M-SMFC. For the initial phosphate concentrations of 0.2, 1, 2, and 4 mg/L, average phosphate values in the overlying water during four phases decreased by 33.3% (25.0%, 8.3%), 30.8% (5.1%, 17.9%), 36.5% (27.8%, 15.7%), and 36.2% (0.7%, 22.1%) for M-SMFC (macrophyte, SMFC), compared with the control. With macrophyte treatment, the obvious phosphorus release from sediments was observed during the declining period. However, such phenomenon was significantly inhibited with M-SMFC. The electrogenesis bacteria achieved stronger phosphorus adsorption and assimilation was significantly enriched on the closed-circuit anodes. The higher abundance of Geobacter and Pseudomonas in M-SMFC might in part explain the highest phosphorus reduction in the water column. M-SMFC treatment could be promising to control the phosphorus in eutrophic water bodies.

  13. Studies of simulations of two-phase water-air flows using ANSYS CFX

    Energy Technology Data Exchange (ETDEWEB)

    Garrido Filho, Anizio M.; Moreira, Maria de Lourdes; Faccini, José L.H., E-mail: anizio@ien.gov.br, E-mail: malu@ien.gov.br, E-mail: faccini@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2017-07-01

    Normally in all simulations of flows in computational fluid dynamics, CFD, it is common to use characteristic planes to visualize the profiles of the parameters of interest, mainly in 3D simulations. The present work proposes a standard form of visualization that shows, mainly in two-phase flows, in a more realistic way, the dynamics of the development of the phase flow. This visualization is present within the CFX program in the post-processing module, in the option of representing volumes using sub option, isovolumes. Through this representation, the program highlights the volumes of the finite element mesh corresponding to the selected values of the parameter to be analyzed such as pressure, velocity, volumetric fraction, etc. By means of the volume-isovolume representation, a well representative effect of the current flow pattern is obtained, especially when the volumetric fraction of the air or the gas phase of the flow is emphasized. This form of visualization is being applied to the study of inclined two-phase flows, which will be tested in a new experiment currently under construction at the Laboratory of Experimental Thermal-Hydraulics - LTE of the Institute of Nuclear Engineering - IEN in Rio de Janeiro. (author)

  14. A case study of environmental assisted cracking in a low alloy steel under simulated environment of pressurized water reactor

    International Nuclear Information System (INIS)

    Shahzad, M.; Qureshi, A.H.; Waqas, H.; Hussain, N.

    2011-01-01

    Highlights: → We study environmental assisted cracking (EAC) in simulated PWR environment. → The corrosion rate in simulated coolant is low but increases with B conc. → A516 steel shows EAC in simulated coolant particularly at high oxygen levels. → Fracture occurs when the surface cracks join the subsurface cracks. → Corrosion of MnS inclusions and ferrite provide crack nucleation sites. -- Abstract: The electromechanical behavior of a pressure vessel grade steel A516 has been investigated using potentiodynamic polarization curves and slow strain rate test (SSRT) in simulated environment of pressurized water reactor. The anodic polarization behavior shows that the steel remains active in the solution till localized attack (pitting) starts. The cracks initiated at the surface propagate in a trans-granular mode. These cracks are initiated at the inclusion (MnS) sites and at the interfaces between local anode (ferrite) and local cathode (pearlite). It seems that the ultimate fracture occurs when the propagating surface cracks join the subsurface hydrogen induced cracks. The addition of oxygen in the testing chamber to supersaturation levels shifts the corrosion potential to anodic side and significantly lowers the strength and ductility. Compared to the room temperature properties, the UTS and tensile elongation in various simulated conditions are reduced by 10-25% and 25-75%, respectively.

  15. Numerical simulation of sand jet in water

    Energy Technology Data Exchange (ETDEWEB)

    Azimi, A.H.; Zhu, D.; Rajaratnam, N. [Alberta Univ., Edmonton, AB (Canada). Dept. of Civil and Environmental Engineering

    2008-07-01

    A numerical simulation of sand jet in water was presented. The study involved a two-phase flow using two-phase turbulent jets. A literature review was also presented, including an experiment on particle laden air jet using laser doppler velocimetry (LDV); experiments on the effect of particle size and concentration on solid-gas jets; an experimental study of solid-liquid jets using particle image velocimetry (PIV) technique where mean velocity and fluctuations were measured; and an experimental study on solid-liquid jets using the laser doppler anemometry (LDA) technique measuring both water axial and radial velocities. Other literature review results included a photographic study of sand jets in water; a comparison of many two-phase turbulent flow; and direct numerical simulation and large-eddy simulation to study the effect of particle in gas jet flow. The mathematical model and experimental setup were also included in the presentation along with simulation results for sand jets, concentration, and kinetic energy. The presentation concluded with some proposed future studies including numerical simulation of slurry jets in water and numerical simulation of slurry jets in MFT. tabs., figs.

  16. Monte-Carlo simulation of the SL-ELEKTA-20 medical linear accelerator. Dosimetric study of a water phantom

    International Nuclear Information System (INIS)

    Thiam, Ch. O.

    2003-06-01

    In radiotherapy, it is essential to have a precise knowledge of the dose delivered in the target volume and the neighbouring critical organs. To be usable clinically, the models of calculation must take into account the exact characteristics of the beams used and the densities of fabrics. Today we can use sophisticated irradiation techniques and get a more precise assessment of the dose and with a better knowledge of its distribution. Thus in this report, will be detailed a simulation of the head of irradiation of accelerator SL-ELEKTA-20 in electrons mode and a dosimetric study of a water phantom. This study is carried out with the code of simulation Monte Carlo GATE adapted for applications of medical physics; the results are compared with the data obtained by the anticancer center 'Jean Perrin' on a similar accelerator. (author)

  17. A Virtual Mixture Approach to the Study of Multistate Equilibrium: Application to Constant pH Simulation in Explicit Water

    Science.gov (United States)

    Wu, Xiongwu; Brooks, Bernard R.

    2015-01-01

    Chemical and thermodynamic equilibrium of multiple states is a fundamental phenomenon in biology systems and has been the focus of many experimental and computational studies. This work presents a simulation method to directly study the equilibrium of multiple states. This method constructs a virtual mixture of multiple states (VMMS) to sample the conformational space of all chemical states simultaneously. The VMMS system consists of multiple subsystems, one for each state. The subsystem contains a solute and a solvent environment. The solute molecules in all subsystems share the same conformation but have their own solvent environments. Transition between states is implicated by the change of their molar fractions. Simulation of a VMMS system allows efficient calculation of relative free energies of all states, which in turn determine their equilibrium molar fractions. For systems with a large number of state transition sites, an implicit site approximation is introduced to minimize the cost of simulation. A direct application of the VMMS method is for constant pH simulation to study protonation equilibrium. Applying the VMMS method to a heptapeptide of 3 ionizable residues, we calculated the pKas of those residues both with all explicit states and with implicit sites and obtained consistent results. For mouse epidermal growth factor of 9 ionizable groups, our VMMS simulations with implicit sites produced pKas of all 9 ionizable groups and the results agree qualitatively with NMR measurement. This example demonstrates the VMMS method can be applied to systems of a large number of ionizable groups and the computational cost scales linearly with the number of ionizable groups. For one of the most challenging systems in constant pH calculation, SNase Δ+PHS/V66K, our VMMS simulation shows that it is the state-dependent water penetration that causes the large deviation in lysine66’s pKa. PMID:26506245

  18. A Virtual Mixture Approach to the Study of Multistate Equilibrium: Application to Constant pH Simulation in Explicit Water.

    Directory of Open Access Journals (Sweden)

    Xiongwu Wu

    2015-10-01

    Full Text Available Chemical and thermodynamic equilibrium of multiple states is a fundamental phenomenon in biology systems and has been the focus of many experimental and computational studies. This work presents a simulation method to directly study the equilibrium of multiple states. This method constructs a virtual mixture of multiple states (VMMS to sample the conformational space of all chemical states simultaneously. The VMMS system consists of multiple subsystems, one for each state. The subsystem contains a solute and a solvent environment. The solute molecules in all subsystems share the same conformation but have their own solvent environments. Transition between states is implicated by the change of their molar fractions. Simulation of a VMMS system allows efficient calculation of relative free energies of all states, which in turn determine their equilibrium molar fractions. For systems with a large number of state transition sites, an implicit site approximation is introduced to minimize the cost of simulation. A direct application of the VMMS method is for constant pH simulation to study protonation equilibrium. Applying the VMMS method to a heptapeptide of 3 ionizable residues, we calculated the pKas of those residues both with all explicit states and with implicit sites and obtained consistent results. For mouse epidermal growth factor of 9 ionizable groups, our VMMS simulations with implicit sites produced pKas of all 9 ionizable groups and the results agree qualitatively with NMR measurement. This example demonstrates the VMMS method can be applied to systems of a large number of ionizable groups and the computational cost scales linearly with the number of ionizable groups. For one of the most challenging systems in constant pH calculation, SNase Δ+PHS/V66K, our VMMS simulation shows that it is the state-dependent water penetration that causes the large deviation in lysine66's pKa.

  19. A Virtual Mixture Approach to the Study of Multistate Equilibrium: Application to Constant pH Simulation in Explicit Water.

    Science.gov (United States)

    Wu, Xiongwu; Brooks, Bernard R

    2015-10-01

    Chemical and thermodynamic equilibrium of multiple states is a fundamental phenomenon in biology systems and has been the focus of many experimental and computational studies. This work presents a simulation method to directly study the equilibrium of multiple states. This method constructs a virtual mixture of multiple states (VMMS) to sample the conformational space of all chemical states simultaneously. The VMMS system consists of multiple subsystems, one for each state. The subsystem contains a solute and a solvent environment. The solute molecules in all subsystems share the same conformation but have their own solvent environments. Transition between states is implicated by the change of their molar fractions. Simulation of a VMMS system allows efficient calculation of relative free energies of all states, which in turn determine their equilibrium molar fractions. For systems with a large number of state transition sites, an implicit site approximation is introduced to minimize the cost of simulation. A direct application of the VMMS method is for constant pH simulation to study protonation equilibrium. Applying the VMMS method to a heptapeptide of 3 ionizable residues, we calculated the pKas of those residues both with all explicit states and with implicit sites and obtained consistent results. For mouse epidermal growth factor of 9 ionizable groups, our VMMS simulations with implicit sites produced pKas of all 9 ionizable groups and the results agree qualitatively with NMR measurement. This example demonstrates the VMMS method can be applied to systems of a large number of ionizable groups and the computational cost scales linearly with the number of ionizable groups. For one of the most challenging systems in constant pH calculation, SNase Δ+PHS/V66K, our VMMS simulation shows that it is the state-dependent water penetration that causes the large deviation in lysine66's pKa.

  20. Studies on dissolution characteristics of simulated corrosion products on pressurized water reactor primary coolant loops. Pt.2: Cobalt simulated corrosion product

    International Nuclear Information System (INIS)

    Li Shan; Zhou Xianyu

    1997-01-01

    The studies on the dissolution characteristics of simulated corrosion product of cobalt on pressurized water reactor primary coolant loops in aqueous solution of citric acid, hydrogen peroxide and citric acid-hydrogen peroxide have been performed. The results show that the portion of the dissolved simulated corrosion product of cobalt in citric acid aqueous solution clearly increases with a rise in citric acid concentration and is ten times above the corresponding value of iron. The portion of the products that dissolve is the largest at pH 3.00 in the pH range of 2.33∼4.50 and at 70 degree C in the range of 60∼80 degree C. It is shown that the portion of the dissolved simulated corrosion product of cobalt in hydrogen peroxide aqueous solution is smaller than the corresponding value in citric acid, and that the portion of the dissolved simulated corrosion product of cobalt in aqueous solution of hydrogen peroxide-citric acid is larger than the corresponding value in single citric acid aqueous solution

  1. 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

  2. Water Quality Analysis Simulation Program (WASP)

    Science.gov (United States)

    The Water Quality Analysis Simulation Program (WASP) model helps users interpret and predict water quality responses to natural phenomena and manmade pollution for various pollution management decisions.

  3. Simulation study on single family house with solar floor and domestic hot water heating system by EESLISM; EESLISM ni yoru taiyonetsu danbo kyuto jutaku no simulation

    Energy Technology Data Exchange (ETDEWEB)

    Roh, H; Udagawa, M [Kogakuin University, Tokyo (Japan)

    1997-11-25

    Indoor thermal conditions and energy performance were simulated, by the aid of EESLISM as a common simulation program for indoor thermal conditions and energy systems, for an actual two-storied single family house equipped with solar-heated floors and a domestic hot water (DHW) heating system, in order to investigate applicability of the simulation program. The house, built in Shibuya Ward in Tokyo, has a total floor area of 164m{sup 2}, with a living room, dining room and study heated by the solar system for a total floor area of 35m{sup 2}. A heat-storage tank is provided, dedicated to the DHW system. The solar collector is of flat type, with selectively light-absorbing planes, having a total collector area of 11.46m{sup 2}. The operating conditions of the floor-heating and DHW systems are almost reproduced. It is necessary to take surrounding conditions into consideration; solar radiation in daytime will be overestimated if adjacent buildings are neglected to give higher temperature in the space and on the wall on the south than the observed level. 6 refs., 5 figs., 1 tab.

  4. Magnetite solubility studies under simulated PWR primary-side conditions, using lithiated, hydrogenated water

    International Nuclear Information System (INIS)

    Hewett, John; Morrison, Jonathan; Cooper, Christopher; Ponton, Clive; Connolly, Brian; Dickinson, Shirley; Henshaw, Jim

    2014-01-01

    As software for modelling dissolution, precipitation, and transport of metallic species and subsequent CRUD deposition within nuclear plant becomes more advanced, there is an increasing need for accurate and reliable thermodynamic data. The solubility behaviour of magnetite is an example of such data, and is central to any treatment of CRUD solubility due to the prevalence of magnetite and nickel ferrites in CRUD. Several workers have shown the most consistent solubility data comes from once-through flowing systems. However, despite a strong consensus between the results in acidic to mildly alkaline solutions, there is disagreement between the results at approximately pH 25C 9 and higher. A programme of experimental work is on-going at the University of Birmingham, focusing on solubility of metal oxides (e.g., magnetite) in conditions relevant to PWR primary coolant. One objective of this programme is to calculate thermodynamic constants from the data obtained. Magnetite solubility from 200 to 300°C, in lithiated, hydrogenated water of pH 25C 9–11 is being studied using a once-through rig constructed of 316L stainless steel. The feedwater is pumped at 100 bar pressure through a heated bed of magnetite granules, and the output solution is collected and analysed for iron and several other metals by ICP-MS. This paper presents results from preliminary tests without magnetite granules, in which the corroding surface of the rig itself was used as the sole source of soluble iron and of dissolved hydrogen. Levels of iron were generally within an order of magnitude of literature solubility values. Comparison of results at different flow rates and temperatures, in conjunction with conclusions drawn from the published literature, suggests that this is likely due to the presence of particulate matter in a greatly under-saturated solution, compensating for the low surface area of oxide in contact with the solution. (author)

  5. Simulation study of air and water cooled photovoltaic panel using ANSYS

    Science.gov (United States)

    Syafiqah, Z.; Amin, N. A. M.; Irwan, Y. M.; Majid, M. S. A.; Aziz, N. A.

    2017-10-01

    Demand for alternative energy is growing due to decrease of fossil fuels sources. One of the promising and popular renewable energy technology is a photovoltaic (PV) technology. During the actual operation of PV cells, only around 15% of solar irradiance is converted to electricity, while the rest is converted into heat. The electrical efficiency decreases with the increment in PV panel’s temperature. This electrical energy is referring to the open-circuit voltage (Voc), short-circuit current (Isc) and output power generate. This paper examines and discusses the PV panel with water and air cooling system. The air cooling system was installed at the back of PV panel while water cooling system at front surface. The analyses of both cooling systems were done by using ANSYS CFX and PSPICE software. The highest temperature of PV panel without cooling system is 66.3 °C. There is a decrement of 19.2% and 53.2% in temperature with the air and water cooling system applied to PV panel.

  6. TRNSYS coupled with previs for simulation and sizing of solar water heating system: University Campus as case study

    International Nuclear Information System (INIS)

    Dkiouak, R.; Ahachad, M.

    2006-01-01

    A solar plant for hot-water production was investigated by the dynamic simulation code TRNSYS coupled with PREVIS code. Typical daily university campus consumption for a 240 students was considered. The hot-water demand temperature (45 degree centigrade) is controlled by a conventional fuel auxiliary heater and a tempering valve. The fluids circulate by pumps activated by electricity. Annual energy performance, in terms of solar fraction, was calculated for Tangier.(Author)

  7. Penetration Evaluation of Explosively Formed Projectiles Through Air and Water Using Insensitive Munition: Simulative and Experimental Studies

    Directory of Open Access Journals (Sweden)

    M. Ahmed

    2016-02-01

    Full Text Available The process of formation, flying, penetration of explosively-formed projectiles (EFP and the effect of water on performance of the charge for underwater applications is simulated by Ansysis Autodyn 2D-Hydro code. The main objective of an explosively formed projectile designed for underwater applications is to disintegrate the target at longer standoff distances. In this paper we have simulated the explosively formed projectile from OFHC-Copper liner for 1200 conical angle. The Affect of water on the penetration of EFP is determined by simulations from Ansysis Autodyn 2-D Hydrocode and by varying depth of water from 1CD-5CD. The depth of penetration against steel target is measured experimentally. Flash X-Ray Radiography (FXR is used to capture EFP jet formation and its penetration against target is measured by depth of penetration experiments. Simulation results are compared with experimental results. The difference in simulated and experimental results for depth of penetration is about 7 mm, which lies within favorable range of error. The jet formation captured from FXR is quite clear and jet velocity determined from Flash X-ray radiography is the same as the ones obtained by using other high explosives. Therefore, it is indicated that Insensitive Munition (8701 can be utilized instead of Polymer Bonded Explosives (PBX for air and underwater environments with great reliability and without any hazard.

  8. North Atlantic Coast Comprehensive Study (NACCS) Coastal Storm Model Simulations: Waves and Water Levels

    Science.gov (United States)

    2015-08-01

    published in the NGA’s DNCs, with distinct values assigned to areas of sand, gravel, clay , etc. ERDC/CHL TR-15-14 94 6.5.2 Lateral eddy viscosity As with...6.5.1 Manning’s n bottom friction coefficient ................................................................... 93 6.5.2 Lateral eddy viscosity ...this study include (1) Manning’s n bottom friction coefficient, (2) lateral eddy viscosity , (3) land cover effects on winds (also referred to as

  9. Hydrogeologic Settings and Ground-Water Flow Simulations for Regional Studies of the Transport of Anthropogenic and Natural Contaminants to Public-Supply Wells - Studies Begun in 2001

    Science.gov (United States)

    Paschke, Suzanne S.

    2007-01-01

    This study of the Transport of Anthropogenic and Natural Contaminants to public-supply wells (TANC study) is being conducted as part of the U.S. Geological Survey National Water Quality Assessment (NAWQA) Program and was designed to increase understanding of the most important factors to consider in ground-water vulnerability assessments. The seven TANC studies that began in 2001 used retrospective data and ground-water flow models to evaluate hydrogeologic variables that affect aquifer susceptibility and vulnerability at a regional scale. Ground-water flow characteristics, regional water budgets, pumping-well information, and water-quality data were compiled from existing data and used to develop conceptual models of ground-water conditions for each study area. Steady-state regional ground-water flow models were used to represent the conceptual models, and advective particle-tracking simulations were used to compute areas contributing recharge and traveltimes from recharge to selected public-supply wells. Retrospective data and modeling results were tabulated into a relational database for future analysis. Seven study areas were selected to evaluate a range of hydrogeologic settings and management practices across the Nation: the Salt Lake Valley, Utah; the Eagle Valley and Spanish Springs Valley, Nevada; the San Joaquin Valley, California; the Northern Tampa Bay region, Florida; the Pomperaug River Basin, Connecticut; the Great Miami River Basin, Ohio; and the Eastern High Plains, Nebraska. This Professional Paper Chapter presents the hydrogeologic settings and documents the ground-water flow models for each of the NAWQA TANC regional study areas that began work in 2001. Methods used to compile retrospective data, determine contributing areas of public-supply wells, and characterize oxidation-reduction (redox) conditions also are presented. This Professional Paper Chapter provides the foundation for future susceptibility and vulnerability analyses in the TANC

  10. Rayleigh-Plesset equation of the bubble stable cavitation in water: A nonequilibrium all-atom molecular dynamics simulation study

    Science.gov (United States)

    Man, Viet Hoang; Li, Mai Suan; Derreumaux, Philippe; Nguyen, Phuong H.

    2018-03-01

    The Rayleigh-Plesset (RP) equation was derived from the first principles to describe the bubble cavitation in liquids in terms of macroscopic hydrodynamics. A number of nonequilibrium molecular dynamics studies have been carried out to validate this equation in describing the bubble inertial cavitation, but their results are contradictory and the applicability of the RP equation still remains to be examined, especially for the stable cavitation. In this work, we carry out nonequilibrium all-atom simulation to validate the applicability of the RP equation in the description of the stable cavitation of nano-sized bubbles in water. We show that although microscopic effects are not explicitly included, this equation still describes the dynamics of subnano-bubbles quite well as long as the contributions of various terms including inertial, surface tension, and viscosity are correctly taken into account. These terms are directly and inversely proportional to the amplitude and period of the cavitation, respectively. Thus, their contributions to the RP equation depend on these two parameters. This may explain the discrepancy between the current results obtained using different parameters. Finally, the accuracy of the RP equation in the current mathematical modeling studies of the ultrasound-induced blood-brain-barrier experiments is discussed in some detail.

  11. Integrated Water Resources Simulation Model for Rural Community

    Science.gov (United States)

    Li, Y.-H.; Liao, W.-T.; Tung, C.-P.

    2012-04-01

    The purpose of this study is to develop several water resources simulation models for residence houses, constructed wetlands and farms and then integrate these models for a rural community. Domestic and irrigation water uses are the major water demand in rural community. To build up a model estimating domestic water demand for residence houses, the average water use per person per day should be accounted first, including water uses of kitchen, bathroom, toilet and laundry. On the other hand, rice is the major crop in the study region, and its productive efficiency sometimes depends on the quantity of irrigation water. The water demand can be estimated by crop water use, field leakage and water distribution loss. Irrigation water comes from rainfall, water supply system and reclaimed water which treated by constructed wetland. In recent years, constructed wetlands play an important role in water resources recycle. They can purify domestic wastewater for water recycling and reuse. After treating from constructed wetlands, the reclaimed water can be reused in washing toilets, watering gardens and irrigating farms. Constructed wetland is one of highly economic benefits for treating wastewater through imitating the processing mechanism of natural wetlands. In general, the treatment efficiency of constructed wetlands is determined by evapotranspiration, inflow, and water temperature. This study uses system dynamics modeling to develop models for different water resource components in a rural community. Furthermore, these models are integrated into a whole system. The model not only is utilized to simulate how water moves through different components, including residence houses, constructed wetlands and farms, but also evaluates the efficiency of water use. By analyzing the flow of water, the water resource simulation model can optimizes water resource distribution under different scenarios, and the result can provide suggestions for designing water resource system of a

  12. Water Conservation Education with a Rainfall Simulator.

    Science.gov (United States)

    Kok, Hans; Kessen, Shelly

    1997-01-01

    Describes a program in which a rainfall simulator was used to promote water conservation by showing water infiltration, water runoff, and soil erosion. The demonstrations provided a good background for the discussion of issues such as water conservation, crop rotation, and conservation tillage practices. The program raised awareness of…

  13. Simulating partially illegal markets of private tanker water providers on the country level: A multi-agent, hydroeconomic case-study of Jordan

    Science.gov (United States)

    Klassert, C. J. A.; Yoon, J.; Gawel, E.; Klauer, B.; Sigel, K.; Talozi, S.; Lachaut, T.; Selby, P. D.; Knox, S.; Gorelick, S.; Tilmant, A.; Harou, J. J.; Mustafa, D.; Medellin-Azuara, J.; Rajsekhar, D.; Avisse, N.; Zhang, H.

    2016-12-01

    In arid countries around the world, markets of private small-scale water providers, mostly delivering water via tanker trucks, have emerged to balance the shortcomings of public water supply systems. While these markets can provide substantial contributions to meeting customers' water demands, they often partially rely on illegal water abstractions, thus imposing an unregulated and unmonitored strain on ground and surface water resources. Despite their important impacts on water users' welfare and resource sustainability, these markets are still poorly understood. We use a multi-agent, hydroeconomic simulation model, developed as part of the Jordan Water Project, to investigate the role of these markets in a country-wide case-study of Jordan. Jordan's water sector is characterized by a severe and growing scarcity of water resources, high intermittency in the public water network, and a strongly increasing demand due to an unprecedented refugee crisis. The tanker water market serves an important role in providing water from rural wells to households and commercial enterprises, especially during supply interruptions. In order to overcome the lack of direct data about this partially illegal market, we simulate demand and supply for tanker water. The demand for tanker water is conceptualized as a residual demand, remaining after a water user has depleted all available cheap and qualitatively reliable piped water. It is derived from residential and commercial demand functions on the basis of survey data. Tanker water supply is determined by farm simulation models calculating the groundwater pumping cost and the agricultural opportunity cost of tanker water. A market algorithm is then used to match rural supplies with users' demands, accounting for survey data on tanker operators' transport costs and profit expectations. The model is used to gain insights into the size of the tanker markets in all 89 subdistricts of Jordan and their responsiveness to various policy

  14. Oil-soluble and water-soluble BTPhens and their europium complexes in octanol/water solutions: interface crossing studied by MD and PMF simulations.

    Science.gov (United States)

    Benay, G; Wipff, G

    2013-01-31

    Bistriazinyl-phenantroline "BTPhen" ligands L display the remarkable feature to complex trivalent lanthanide and actinide ions, with a marked selectivity for the latter. We report on molecular dynamics studies of tetrasubstituted X(4)BTPhens: L(4+) (X = (+)Et(3)NCH(2)-), L(4-) (X = (-)SO(3)Ph-), and L(0) (X = CyMe(4)) and their complexes with Eu(III) in binary octanol/water solutions. Changes in free energies upon interface crossing are also calculated for typical solutes by potential of mean force PMF simulations. The ligands and their complexes partition, as expected, to either the aqueous or the oil phase, depending on the "solubilizing" group X. Furthermore, most of them are found to be surface active. The water-soluble L(4+) and L(4-) ligands and their (L)Eu(NO(3))(3) complexes adsorb at the aqueous side of the interface, more with L(4-) than with L(4+). The oil soluble ligand L(0) is not surface active in its endo-endo form but adsorbs on the oil side of the interface in its most polar endo-exo form, as well as in its protonated L(0)H(+) and complexed (L(0))Eu(NO(3))(3) states. Furthermore, comparing PMFs of the Eu(III) complexes with and without nitric acid shows that acidifying the aqueous phase has different effects, depending on the ligand charge. In particular, acid promotes the Eu(III) extraction by L(0) via the (L(0))(2)Eu(NO(3))(2+) complex, as observed experimentally. Overall, the results point to the importance of interfacial adsorption for the liquid-liquid extraction of trivalent lanthanide and actinide cations by BTPhens and analogues.

  15. Formulation and make-up of simulated cement modified water

    International Nuclear Information System (INIS)

    Gdowski, G.

    1997-01-01

    This procedure describes the formulation and make-up of Simulated Cement-Modified Waters (SCMW), which are aqueous solutions to be used for Activity E-20-50 Long-Term Corrosion Studies. These solutions simulate the changes to representative Yucca Mountain water chemistry because of prolonged contact with aged cement. The representative water was chosen as J-13 well water [Harrar, 1990]. J-13 well water is obtained from ground water that is in contact with the Topopah Spring tuff, which is the repository horizon rock

  16. Boiling water reactor simulator. Workshop material

    International Nuclear Information System (INIS)

    2003-01-01

    The International Atomic Energy Agency (IAEA) has established an activity in nuclear reactor simulation computer programs to assist its Member States in education. The objective is to provide, for a variety of advanced reactor types, insight and practice in their operational characteristics and their response to perturbations and accident situations. To achieve this, the IAEA arranges for the development and distribution of simulation programs and workshop material and sponsors workshops. The workshops are in two parts: techniques and tools for reactor simulator development; and the use of reactor simulators in education. Workshop material for the first part is covered in the IAEA publication: Training Course Series No. 12, 'Reactor Simulator Development' (2001). Course material for workshops using a WWER- 1000 simulator from the Moscow Engineering and Physics Institute, Russian Federation is presented in the IAEA publication: Training Course Series No. 21 'WWER-1000 Reactor Simulator' (2002). Course material for workshops using a pressurized water reactor (PWR) simulator developed by Cassiopeia Technologies Incorporated, Canada, is presented in the IAEA publication: Training Course Series No. 22 'Pressurized Water Reactor Simulator' (2003). This report consists of course material for workshops using a boiling water reactor (BWR) simulator. Cassiopeia Technologies Incorporated, developed the simulator and prepared this report for the IAEA

  17. Studies of acid-base homeostasis during simulated weightlessness: Application of the water immersion model to man

    Science.gov (United States)

    Epstein, M.

    1975-01-01

    The effects of water immersion on acid-base homeostasis were investigated under carefully controlled conditions. Studies of renal acidification were carried out on seven healthy male subjects, each consuming a diet containing 150 meq sodium and 100 meq potassium. Control and immersion studies were carried out on each subject on the fourth and sixth days, respectively, of dietary equilibration, by which time all subjects had achieved sodium balance. The experimental protocols on study days were similar (except for the amount of water administered).

  18. Study of the adaptive refinement on an open source 2D shallow-water flow solver using quadtree grid for flash flood simulations.

    Science.gov (United States)

    Kirstetter, G.; Popinet, S.; Fullana, J. M.; Lagrée, P. Y.; Josserand, C.

    2015-12-01

    The full resolution of shallow-water equations for modeling flash floods may have a high computational cost, so that majority of flood simulation softwares used for flood forecasting uses a simplification of this model : 1D approximations, diffusive or kinematic wave approximations or exotic models using non-physical free parameters. These kind of approximations permit to save a lot of computational time by sacrificing in an unquantified way the precision of simulations. To reduce drastically the cost of such 2D simulations by quantifying the lost of precision, we propose a 2D shallow-water flow solver built with the open source code Basilisk1, which is using adaptive refinement on a quadtree grid. This solver uses a well-balanced central-upwind scheme, which is at second order in time and space, and treats the friction and rain terms implicitly in finite volume approach. We demonstrate the validity of our simulation on the case of the flood of Tewkesbury (UK) occurred in July 2007, as shown on Fig. 1. On this case, a systematic study of the impact of the chosen criterium for adaptive refinement is performed. The criterium which has the best computational time / precision ratio is proposed. Finally, we present the power law giving the computational time in respect to the maximum resolution and we show that this law for our 2D simulation is close to the one of 1D simulation, thanks to the fractal dimension of the topography. [1] http://basilisk.fr/

  19. Pressurized water reactor simulator. Workshop material

    International Nuclear Information System (INIS)

    2003-01-01

    The International Atomic Energy Agency (IAEA) has established an activity in nuclear reactor simulation computer programs to assist its Member States in education. The objective is to provide, for a variety of advanced reactor types, insight and practice in their operational characteristics and their response to perturbations and accident situations. To achieve this, the IAEA arranges for the development and distribution of simulation programs and educational material and sponsors courses and workshops. The workshops are in two parts: techniques and tools for reactor simulator development; and the use of reactor simulators in education. Workshop material for the first part is covered in the IAEA Training Course Series No. 12, 'Reactor Simulator Development' (2001). Course material for workshops using a WWER- 1000 reactor department simulator from the Moscow Engineering and Physics Institute, the Russian Federation is presented in the IAEA Training Course Series No. 21 'WWER-1000 Reactor Simulator' (2002). Course material for workshops using a boiling water reactor simulator developed for the IAEA by Cassiopeia Technologies Incorporated of Canada (CTI) is presented in the IAEA publication: Training Course Series No.23 'Boiling Water Reactor Simulator' (2003). This report consists of course material for workshops using a pressurized water reactor simulator

  20. A 2-D FEM thermal model to simulate water flow in a porous media: Campi Flegrei caldera case study

    Directory of Open Access Journals (Sweden)

    V. Romano

    2012-05-01

    Full Text Available Volcanic and geothermal aspects both exist in many geologically young areas. In these areas the heat transfer process is of fundamental importance, so that the thermal and fluid-dynamic processes characterizing a viscous fluid in a porous medium are very important to understand the complex dynamics of the these areas. The Campi Flegrei caldera, located west of the city of Naples, within the central-southern sector of the large graben of Campanian plain, is a region where both volcanic and geothermal phenomena are present. The upper part of the geothermal system can be considered roughly as a succession of volcanic porous material (tuff saturated by a mixture formed mainly by water and carbon dioxide. We have implemented a finite elements approach in transient conditions to simulate water flow in a 2-D porous medium to model the changes of temperature in the geothermal system due to magmatic fluid inflow, accounting for a transient phase, not considered in the analytical solutions and fluid compressibility. The thermal model is described by means of conductive/convective equations, in which we propose a thermal source represented by a parabolic shape function to better simulate an increase of temperature in the central part (magma chamber of a box, simulating the Campi Flegrei caldera and using more recent evaluations, from literature, for the medium's parameters (specific heat capacity, density, thermal conductivity, permeability. A best-fit velocity for the permeant is evaluated by comparing the simulated temperatures with those measured in wells drilled by Agip (Italian Oil Agency in the 1980s in the framework of geothermal exploration. A few tens of days are enough to reach the thermal steady state, showing the quick response of the system to heat injection. The increase in the pressure due to the heat transport is then used to compute ground deformation, in particular the vertical displacements characteristics of the Campi Flegrei caldera

  1. Study of the rheological properties of water and Martian soil simulant mixtures for engineering applications on the red planet

    Science.gov (United States)

    Taylor, Lewis; Alberini, Federico; Sullo, Antonio; Meyer, Marit E.; Alexiadis, Alessio

    2018-03-01

    The rheological properties of mixtures of water and the Martian soil simulant JSC-Mars-1A are investigated by preparing and testing samples at various solids concentrations. The results indicate that the dispersion is viscoelastic and, at small timescales (∼0.1 s), reacts to sudden strain as an elastic solid. At longer timescales the dispersion behaves like a Bingham fluid and exhibits a yield stress. Hysteresis loops show that rapid step-changes (2 s duration) of shear-rate result in thixotropic behaviour, but slower changes (>10 s duration) can result in rheopexy. These observations are explained with the breakdown and recovery of the packing structure under stress. The rheological information is used to generate practical tools, such as the system curve and the Moody chart that can be used for designing piping systems, and calculating pump sizes and pressure requirements.

  2. Integral Pressurized Water Reactor Simulator Manual

    International Nuclear Information System (INIS)

    2017-01-01

    This publication provides detailed explanations of the theoretical concepts that the simulator users have to know to gain a comprehensive understanding of the physics and technology of integral pressurized water reactors. It provides explanations of each of the simulator screens and various controls that a user can monitor and modify. A complete description of all the simulator features is also provided. A detailed set of exercises is provided in the Exercise Handbook accompanying this publication.

  3. Parallel Numerical Simulations of Water Reservoirs

    Science.gov (United States)

    Torres, Pedro; Mangiavacchi, Norberto

    2010-11-01

    The study of the water flow and scalar transport in water reservoirs is important for the determination of the water quality during the initial stages of the reservoir filling and during the life of the reservoir. For this scope, a parallel 2D finite element code for solving the incompressible Navier-Stokes equations coupled with scalar transport was implemented using the message-passing programming model, in order to perform simulations of hidropower water reservoirs in a computer cluster environment. The spatial discretization is based on the MINI element that satisfies the Babuska-Brezzi (BB) condition, which provides sufficient conditions for a stable mixed formulation. All the distributed data structures needed in the different stages of the code, such as preprocessing, solving and post processing, were implemented using the PETSc library. The resulting linear systems for the velocity and the pressure fields were solved using the projection method, implemented by an approximate block LU factorization. In order to increase the parallel performance in the solution of the linear systems, we employ the static condensation method for solving the intermediate velocity at vertex and centroid nodes separately. We compare performance results of the static condensation method with the approach of solving the complete system. In our tests the static condensation method shows better performance for large problems, at the cost of an increased memory usage. Performance results for other intensive parts of the code in a computer cluster are also presented.

  4. Simulating water markets with transaction costs

    Science.gov (United States)

    Erfani, Tohid; Binions, Olga; Harou, Julien J.

    2014-06-01

    This paper presents an optimization model to simulate short-term pair-wise spot-market trading of surface water abstraction licenses (water rights). The approach uses a node-arc multicommodity formulation that tracks individual supplier-receiver transactions in a water resource network. This enables accounting for transaction costs between individual buyer-seller pairs and abstractor-specific rules and behaviors using constraints. Trades are driven by economic demand curves that represent each abstractor's time-varying water demand. The purpose of the proposed model is to assess potential hydrologic and economic outcomes of water markets and aid policy makers in designing water market regulations. The model is applied to the Great Ouse River basin in Eastern England. The model assesses the potential weekly water trades and abstractions that could occur in a normal and a dry year. Four sectors (public water supply, energy, agriculture, and industrial) are included in the 94 active licensed water diversions. Each license's unique environmental restrictions are represented and weekly economic water demand curves are estimated. Rules encoded as constraints represent current water management realities and plausible stakeholder-informed water market behaviors. Results show buyers favor sellers who can supply large volumes to minimize transactions. The energy plant cooling and agricultural licenses, often restricted from obtaining water at times when it generates benefits, benefit most from trades. Assumptions and model limitations are discussed. This article was corrected on 13 JUN 2014. See the end of the full text for details.

  5. Water vapor permeabilities through polymers: diffusivities from experiments and simulations

    International Nuclear Information System (INIS)

    Seethamraju, Sindhu; Ramamurthy, Praveen Chandrashekarapura; Madras, Giridhar

    2014-01-01

    This study experimentally determines water vapor permeabilities, which are subsequently correlated with the diffusivities obtained from simulations. Molecular dynamics (MD) simulations were used for determining the diffusion of water vapor in various polymeric systems such as polyethylene, polypropylene, poly (vinyl alcohol), poly (vinyl acetate), poly (vinyl butyral), poly (vinylidene chloride), poly (vinyl chloride) and poly (methyl methacrylate). Cavity ring down spectroscopy (CRDS) based methodology has been used to determine the water vapor transmission rates. These values were then used to calculate the diffusion coefficients for water vapor through these polymers. A comparative analysis is provided for diffusivities calculated from CRDS and MD based results by correlating the free volumes. (paper)

  6. Simulation of Crop Growth and Water-Saving Irrigation Scenarios for Lettuce: A Monsoon-Climate Case Study in Kampong Chhnang, Cambodia

    Directory of Open Access Journals (Sweden)

    Pinnara Ket

    2018-05-01

    Full Text Available Setting up water-saving irrigation strategies is a major challenge farmers face, in order to adapt to climate change and to improve water-use efficiency in crop productions. Currently, the production of vegetables, such as lettuce, poses a greater challenge in managing effective water irrigation, due to their sensitivity to water shortage. Crop growth models, such as AquaCrop, play an important role in exploring and providing effective irrigation strategies under various environmental conditions. The objectives of this study were (i to parameterise the AquaCrop model for lettuce (Lactuca sativa var. crispa L. using data from farmers’ fields in Cambodia, and (ii to assess the impact of two distinct full and deficit irrigation scenarios in silico, using AquaCrop, under two contrasting soil types in the Cambodian climate. Field observations of biomass and canopy cover during the growing season of 2017 were used to adjust the crop growth parameters of the model. The results confirmed the ability of AquaCrop to correctly simulate lettuce growth. The irrigation scenario analysis suggested that deficit irrigation is a “silver bullet” water saving strategy that can save 20–60% of water compared to full irrigation scenarios in the conditions of this study.

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

    DEFF Research Database (Denmark)

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

    2009-01-01

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

  8. Simulation of Water Transport through a Lipid Membrane

    NARCIS (Netherlands)

    Marrink, Siewert-Jan; Berendsen, Herman J.C.

    1994-01-01

    To obtain insight in the process of water permeation through a lipid membrane, we performed molecular dynamics simulations on a phospholipid (DPPC)/water system with atomic detail. Since the actual process of permeation is too slow to be studied directly, we deduced the permeation rate indirectly

  9. Water Orientation at Ceramide/Water Interfaces Studied by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulation

    KAUST Repository

    Adhikari, Aniruddha; Re, Suyong; Nishima, Wataru; Ahmed, Mohammed; Nihonyanagi, Satoshi; Klauda, Jeffery B.; Sugita, Yuji; Tahara, Tahei

    2016-01-01

    Lipid/water interaction is essential for many biological processes. The water structure at the nonionic lipid interface remains little known, and there is no scope of a priori prediction of water orientation at nonionic interfaces, either. Here, we

  10. The sensitivity of Sphagnum to surface layer conditions in a re-wetted bog: a simulation study of water stress

    NARCIS (Netherlands)

    Schouwenaars, J.M.; Gosen, A.M.

    2007-01-01

    The behaviour of the water table in re-wetted bogs varies widely between different locations so that recolonising Sphagnum is vulnerable to water stress, especially when the water table is drawn down in summer. It is important to understand how physical site conditions influence the occurrence of

  11. Optimizing a Water Simulation based on Wavefront Parameter Optimization

    OpenAIRE

    Lundgren, Martin

    2017-01-01

    DICE, a Swedish game company, wanted a more realistic water simulation. Currently, most large scale water simulations used in games are based upon ocean simulation technology. These techniques falter when used in other scenarios, such as coastlines. In order to produce a more realistic simulation, a new one was created based upon the water simulation technique "Wavefront Parameter Interpolation". This technique involves a rather extensive preprocess that enables ocean simulations to have inte...

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

    Science.gov (United States)

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

    2018-02-01

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

  13. Simulations of Ground-Water Flow, Transport, Age, and Particle Tracking near York, Nebraska, for a Study of Transport of Anthropogenic and Natural Contaminants (TANC) to Public-Supply Wells

    Science.gov (United States)

    Clark, Brian R.; Landon, Matthew K.; Kauffman, Leon J.; Hornberger, George Z.

    2008-01-01

    Contamination of public-supply wells has resulted in public-health threats and negative economic effects for communities that must treat contaminated water or find alternative water supplies. To investigate factors controlling vulnerability of public-supply wells to anthropogenic and natural contaminants using consistent and systematic data collected in a variety of principal aquifer settings in the United States, a study of Transport of Anthropogenic and Natural Contaminants to public-supply wells was begun in 2001 as part of the U.S. Geological Survey National Water-Quality Assessment Program. The area simulated by the ground-water flow model described in this report was selected for a study of processes influencing contaminant distribution and transport along the direction of ground-water flow towards a public-supply well in southeastern York, Nebraska. Ground-water flow is simulated for a 60-year period from September 1, 1944, to August 31, 2004. Steady-state conditions are simulated prior to September 1, 1944, and represent conditions prior to use of ground water for irrigation. Irrigation, municipal, and industrial wells were simulated using the Multi-Node Well package of the modular three-dimensional ground-water flow model code, MODFLOW-2000, which allows simulation of flow and solutes through wells that are simulated in multiple nodes or layers. Ground-water flow, age, and transport of selected tracers were simulated using the Ground-Water Transport process of MODFLOW-2000. Simulated ground-water age was compared to interpreted ground-water age in six monitoring wells in the unconfined aquifer. The tracer chlorofluorocarbon-11 was simulated directly using Ground-Water Transport for comparison with concentrations measured in six monitoring wells and one public supply well screened in the upper confined aquifer. Three alternative model simulations indicate that simulation results are highly sensitive to the distribution of multilayer well bores where leakage

  14. Molecular Dynamics Simulation Study of Parallel Telomeric DNA Quadruplexes at Different Ionic Strengths: Evaluation of Water and Ion Models

    Czech Academy of Sciences Publication Activity Database

    Rebic, M.; Laaksonen, A.; Šponer, Jiří; Uličný, J.; Mocci, F.

    2016-01-01

    Roč. 120, č. 30 (2016), s. 7380-7391 ISSN 1520-6106 R&D Projects: GA ČR(CZ) GA16-13721S Institutional support: RVO:68081707 Keywords : amber force-field * nucleic-acids * biomolecular simulations Subject RIV: BO - Biophysics OBOR OECD: Physical chemistry Impact factor: 3.177, year: 2016

  15. Kinetic Theory and Simulation of Single-Channel Water Transport

    Science.gov (United States)

    Tajkhorshid, Emad; Zhu, Fangqiang; Schulten, Klaus

    Water translocation between various compartments of a system is a fundamental process in biology of all living cells and in a wide variety of technological problems. The process is of interest in different fields of physiology, physical chemistry, and physics, and many scientists have tried to describe the process through physical models. Owing to advances in computer simulation of molecular processes at an atomic level, water transport has been studied in a variety of molecular systems ranging from biological water channels to artificial nanotubes. While simulations have successfully described various kinetic aspects of water transport, offering a simple, unified model to describe trans-channel translocation of water turned out to be a nontrivial task.

  16. Simulation and Evaluation of Pollution Load Reduction Scenarios for Water Environmental Management: A Case Study of Inflow River of Taihu Lake, China

    Science.gov (United States)

    Zhang, Ruibin; Qian, Xin; Zhu, Wenting; Gao, Hailong; Hu, Wei; Wang, Jinhua

    2014-01-01

    In the beginning of the 21st century, the deterioration of water quality in Taihu Lake, China, has caused widespread concern. The primary source of pollution in Taihu Lake is river inflows. Effective pollution load reduction scenarios need to be implemented in these rivers in order to improve the water quality of Taihu Lake. It is important to select appropriate pollution load reduction scenarios for achieving particular goals. The aim of this study was to facilitate the selection of appropriate scenarios. The QUAL2K model for river water quality was used to simulate the effects of a range of pollution load reduction scenarios in the Wujin River, which is one of the major inflow rivers of Taihu Lake. The model was calibrated for the year 2010 and validated for the year 2011. Various pollution load reduction scenarios were assessed using an analytic hierarchy process, and increasing rates of evaluation indicators were predicted using the Delphi method. The results showed that control of pollution from the source is the optimal method for pollution prevention and control, and the method of “Treatment after Pollution” has bad environmental, social and ecological effects. The method applied in this study can assist for environmental managers to select suitable pollution load reduction scenarios for achieving various objectives. PMID:25207492

  17. Simulation and evaluation of pollution load reduction scenarios for water environmental management: a case study of inflow river of Taihu Lake, China.

    Science.gov (United States)

    Zhang, Ruibin; Qian, Xin; Zhu, Wenting; Gao, Hailong; Hu, Wei; Wang, Jinhua

    2014-09-09

    In the beginning of the 21st century, the deterioration of water quality in Taihu Lake, China, has caused widespread concern. The primary source of pollution in Taihu Lake is river inflows. Effective pollution load reduction scenarios need to be implemented in these rivers in order to improve the water quality of Taihu Lake. It is important to select appropriate pollution load reduction scenarios for achieving particular goals. The aim of this study was to facilitate the selection of appropriate scenarios. The QUAL2K model for river water quality was used to simulate the effects of a range of pollution load reduction scenarios in the Wujin River, which is one of the major inflow rivers of Taihu Lake. The model was calibrated for the year 2010 and validated for the year 2011. Various pollution load reduction scenarios were assessed using an analytic hierarchy process, and increasing rates of evaluation indicators were predicted using the Delphi method. The results showed that control of pollution from the source is the optimal method for pollution prevention and control, and the method of "Treatment after Pollution" has bad environmental, social and ecological effects. The method applied in this study can assist for environmental managers to select suitable pollution load reduction scenarios for achieving various objectives.

  18. Simulation and Evaluation of Pollution Load Reduction Scenarios for Water Environmental Management: A Case Study of Inflow River of Taihu Lake, China

    Directory of Open Access Journals (Sweden)

    Ruibin Zhang

    2014-09-01

    Full Text Available In the beginning of the 21st century, the deterioration of water quality in Taihu Lake, China, has caused widespread concern. The primary source of pollution in Taihu Lake is river inflows. Effective pollution load reduction scenarios need to be implemented in these rivers in order to improve the water quality of Taihu Lake. It is important to select appropriate pollution load reduction scenarios for achieving particular goals. The aim of this study was to facilitate the selection of appropriate scenarios. The QUAL2K model for river water quality was used to simulate the effects of a range of pollution load reduction scenarios in the Wujin River, which is one of the major inflow rivers of Taihu Lake. The model was calibrated for the year 2010 and validated for the year 2011. Various pollution load reduction scenarios were assessed using an analytic hierarchy process, and increasing rates of evaluation indicators were predicted using the Delphi method. The results showed that control of pollution from the source is the optimal method for pollution prevention and control, and the method of “Treatment after Pollution” has bad environmental, social and ecological effects. The method applied in this study can assist for environmental managers to select suitable pollution load reduction scenarios for achieving various objectives.

  19. Study on the Simulation of Crud Formation using Piping Materials of Nuclear Power Plant in High Temperature Water

    International Nuclear Information System (INIS)

    Kim, Sang Hyun; Kim, In Sup; Lee, Kun Jai

    2005-01-01

    High temperature - high pressure apparatus was developed to simulate nickel fewite corrosion products which were main compositions of the radioactive crud in the nuclear power plant. Corrosion product similar to the crud was obtained by a tube accumulator system. Nickel alloy (Inconel 690) and carbon steel (SA106 Gr. C) were corroded at 270 in the corrosion product generator. Ni ions and Fe ions dissolved by corrosion reaction were able to be transported to the accumulator because the crud generation mechanism was the solubility change with temperature. To evaluate the properties of simulated corrosion products, scanning electron microscope (SEM) observation and EDAX analysis were performed. SEM observation of corrosion product showed the needle like or crystal structure of oxide depending on precipitating location. The crystal oxide was the nickel ferrite, which was similar to the crud in nuclear power plants.

  20. Chernobyl reactor transient simulation study

    International Nuclear Information System (INIS)

    Gaber, F.A.; El Messiry, A.M.

    1988-01-01

    This paper deals with the Chernobyl nuclear power station transient simulation study. The Chernobyl (RBMK) reactor is a graphite moderated pressure tube type reactor. It is cooled by circulating light water that boils in the upper parts of vertical pressure tubes to produce steam. At equilibrium fuel irradiation, the RBMK reactor has a positive void reactivity coefficient. However, the fuel temperature coefficient is negative and the net effect of a power change depends upon the power level. Under normal operating conditions the net effect (power coefficient) is negative at full power and becomes positive under certain transient conditions. A series of dynamic performance transient analysis for RBMK reactor, pressurized water reactor (PWR) and fast breeder reactor (FBR) have been performed using digital simulator codes, the purpose of this transient study is to show that an accident of Chernobyl's severity does not occur in PWR or FBR nuclear power reactors. This appears from the study of the inherent, stability of RBMK, PWR and FBR under certain transient conditions. This inherent stability is related to the effect of the feed back reactivity. The power distribution stability in the graphite RBMK reactor is difficult to maintain throughout its entire life, so the reactor has an inherent instability. PWR has larger negative temperature coefficient of reactivity, therefore, the PWR by itself has a large amount of natural stability, so PWR is inherently safe. FBR has positive sodium expansion coefficient, therefore it has insufficient stability it has been concluded that PWR has safe operation than FBR and RBMK reactors

  1. BWR water chemistry impurity studies

    International Nuclear Information System (INIS)

    Ljungberg, L.G.; Korhonen, S.; Renstroem, K.; Hofling, C.G.; Rebensdorff, B.

    1990-03-01

    Laboratory studies were made on the effect of water impurities on environmental cracking in simulated BWR water of stainless steel, low alloy steel and nickel-base alloys. Constant elongation rate tensile (CERT) tests were run in simulated normal water chemistry (NWC), hydrogen water chemistry (HWC), or start-up environment. Sulfate, chloride and copper with chloride added to the water at levels of a fraction of a ppM were found to be extremely deleterious to all kinds of materials except Type 316 NG. Other detrimental impurities were fluoride, silica and some organic acids, although acetic acid was beneficial. Nitrate and carbon dioxide were fairly inoccuous. Corrosion fatigue and constant load tests on compact tension specimens were run in simulated normal BWR water chemistry (NWC) or hydrogen water chemistry (HWC), without impurities or with added sulfate or carbon dioxide. For sensitized Type 304 SS in NWC, 0.1 ppM sulfate increased crack propagation rates in constant load tests by up to a factor of 100, and in fatigue tests up to a factor of 10. Also, cracking in Type 316 nuclear grade SS and Alloy 600 was enhanced, but to a smaller degree. Carbon dioxide was less detrimental than sulfate. 3 figs., 4 tabs

  2. Chemical durability of simulated nuclear glasses containing water

    International Nuclear Information System (INIS)

    Li, H.; Tomozawa, M.

    1995-04-01

    The chemical durability of simulated nuclear waste glasses having different water contents was studied. Results from the product consistency test (PCT) showed that glass dissolution increased with water content in the glass. This trend was not observed during MCC-1 testing. This difference was attributed to the differences in reactions between glass and water. In the PCT, the glass network dissolution controlled the elemental releases, and water in the glass accelerated the reaction rate. On the other hand, alkali ion exchange with hydronium played an important role in the MCC-1. For the latter, the amount of water introduced into a leached layer from ion-exchange was found to be much greater than that of initially incorporated water in the glass. Hence, the initial water content has no effect on glass dissolution as measured by the MCC-1 test

  3. Morphometric methods for simulation of water flow

    NARCIS (Netherlands)

    Booltink, H.W.G.

    1993-01-01

    Water flow in structured soils is strongly governed by the occurence of macropores. In this study emphasis was given to combined research of morphology of water- conducting macropores and soil physical measurements on bypass flow. Main research objectives were to: (i) develop and improve

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-12-31

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

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

    International Nuclear Information System (INIS)

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

    1994-01-01

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

  6. Experiment and simulation study on the effects of cement minerals on the water-rock-CO2 interaction during CO2 geological storage

    Science.gov (United States)

    Liu, N.; Cheng, J.

    2016-12-01

    The CO2 geological storage is one of the most promising technology to mitigate CO2 emission. The fate of CO2 underground is dramatically affected by the CO2-water-rock interaction, which are mainly dependent on the initial aquifer mineralogy and brine components. The cement minerals are common materials in sandstone reservoir but few attention has been paid for its effects on CO2-water-rock interaction. Five batch reactions, in which 5% cement minerals were assigned to be quartz, calcite, dolomite, chlorite and Ca-montmorillonite, respectively, were conducted to understanding the cement minerals behaviors and its corresponding effects on the matrix minerals alterations during CO2 geological storage. Pure mineral powders were selected to mix and assemble the 'sandstone rock' with different cement components meanwhile keeping the matrix minerals same for each group as 70% quartz, 20% K-feldspar and 5% albite. These `rock' reacted with 750ml deionized water and CO2 under 180° and 18MPa for 15 days, during which the water chemistry evolution and minerals surface micromorphology changes has been monitored. The minerals saturation indexes calculation and phase diagram as well as the kinetic models were made by PHREEQC to uncover the minerals reaction paths. The experiment results indicated that the quartz got less eroded, on the contrary, K-feldspar and albite continuously dissolved to favor the gibbsite and kaolinite precipitations. The carbonates cement minerals quickly dissolved to reach equilibrium with the pH buffered and in turn suppressed the alkali feldspar dissolutions. No carbonates minerals precipitations occurred until the end of reactions for all groups. The simulation results were basically consistent with the experiment record but failed to simulate the non-stoichiometric reactions and the minerals kinetic rates seemed underestimated at the early stage of reactions. The cement minerals significantly dominated the reaction paths during CO2 geological

  7. A simulation study of the recession coefficient for antecedent precipitation index. [soil moisture and water runoff estimation

    Science.gov (United States)

    Choudhury, B. J.; Blanchard, B. J.

    1981-01-01

    The antecedent precipitation index (API) is a useful indicator of soil moisture conditions for watershed runoff calculations and recent attempts to correlate this index with spaceborne microwave observations have been fairly successful. It is shown that the prognostic equation for soil moisture used in some of the atmospheric general circulation models together with Thornthwaite-Mather parameterization of actual evapotranspiration leads to API equations. The recession coefficient for API is found to depend on climatic factors through potential evapotranspiration and on soil texture through the field capacity and the permanent wilting point. Climatologial data for Wisconsin together with a recently developed model for global isolation are used to simulate the annual trend of the recession coefficient. Good quantitative agreement is shown with the observed trend at Fennimore and Colby watersheds in Wisconsin. It is suggested that API could be a unifying vocabulary for watershed and atmospheric general circulation modelars.

  8. simulation of vertical water flow through vadose zone

    African Journals Online (AJOL)

    HOD

    Simulation of vertical water flow representing the release of water from the vadose zone to the aquifer of surroundings ... ground water pollution from agricultural, industrial and municipal .... Peak Flow Characteristics of Wyoming. Streams: US ...

  9. Development and Simulation of Decentralised Water and Energy Supply Concepts – Case Study of Rainwater Harvesting at the Angkor Centre for Conservation of Biodiversity in Cambodia

    Directory of Open Access Journals (Sweden)

    Joel Czarny

    2017-12-01

    Full Text Available Besides a sufficient energy supply, concepts for accommodations require an intelligent water management. Using the example of quarters that do not have water and energy access, a dynamic simulation model is presented in which a rainwater harvesting concept is implemented and simulated over one year using MATLAB-Simulink. The aim is to minimize respectively suspend the use of fossil energy sources and to guarantee the provision of decentralized clean drinking water. Since traditional water bodies, e.g. groundwater, are increasingly polluted and depleted, utilisation of alternative sources is prudent. Especially in rural areas, where access to drinking water is scarce, rainwater is suitable for providing potable water. Besides its beneficial chemical water properties, it is easily accessed in a decentralized manner, which makes it a preferred choice in areas with sufficient precipitation. However, access to rainwater is limited by its occurrence and contamination, calling for proper storage, utilisation, and treatment strategies. For this purpose, a rainwater harvesting system, including different water and energy management systems, was modelled and implemented using the site of the Angkor Centre for Conservation of Biodiversity in Cambodia as an example. For the simulation, a precipitation generator was implemented using real historical rain event data. An appropriate rainwater treatment process was chosen, consisting of a microfiltration and a subsequent ultrafiltration unit removing bacteriological loads entirely. Both were modelled and implemented dynamically. Using the site of the Angkor Centre of Conservation of Biodiversity, a complete rainwater harvesting plant was implemented including harvest, storage, and utilization of rainwater. Further, a renewable energy management strategy is developed, using photovoltaic modules and batteries. It was shown that the cumulative runoff meets the water demand of the Angkor Centre for Conservation of

  10. SD simulation study on degraded farmland policy on farming-pastoral area under the constrains of water resources-Taking Tongliao City of Inner Mongolia as example

    Science.gov (United States)

    Xu, D. P.; Zhao, B.; Li, T. S.; Zhu, J. W.; Yu, M. M.

    2017-08-01

    Water resources are the primary factor in restricting the sustainable development of farming-pastoral regions. To support the sustainable development of water resources, whether or not the land uses patterns of farming-pastoral areas is a reasonably important issue. This paper takes Tongliao city as example for the purpose of sustainably developing the farming-pastoral area in the north. Several scientific preductions and evaluations were conducted to study the farming-pastoral landuse pattern, which is the key problem that effects sustainable development of farming-pastoral areas. The paper then proposes that 1:7 landuse pattern is suitable for the sustainable development of farming-pastotal area. Based on the analysis of the research findings on sustainable development of farming-pastoral area, the paper established a suitability evaluation indicators system of degraded farmland policies in Tongliao city, and used an Analytical Hierarchy Process (AHP) method to determine the weight to run system dynamic (SD) model. The simulation results were then obtained on social economic ecological development in Tongliao city under different degraded farmland policies, and used the comprehensive evaluation model to optimize the results. It is concluded that stabilizing the policy of degraded farmland policy is the preferential policy in Tongliao, which provides useful theoretical research for the sustainable development of farming-pastoral area.

  11. The recycling of domestic waste water. A study of the factors influencing the storage capacity and the simulation of the usage patterns

    Energy Technology Data Exchange (ETDEWEB)

    Fewkes, A; Ferris, S A

    1982-01-01

    The flushing of toilets with recycled domestic waste water makes a significant saving in the use of potable water. The size of the storage tank is a critical factor in the design of such a system; the inputs to the storage, which are random, are influenced by the size of family and individual washing and bathing habits. The demand from the storage tank is random in time but the volume is constant at each occurrence. A method of generating these waste water time series, with their inherent stochastic nature, is described. These simulated event patterns are then used to investigate the operation of a single-tank waste water storage system. The computer model determines the percentage of water conserved for several combinations of storage capacity and family size: the effect of changes in design parameters and operating conditions on the system performance is also assessed.

  12. SIMULATION OF NEGATIVE PRESSURE WAVE PROPAGATION IN WATER PIPE NETWORK

    Directory of Open Access Journals (Sweden)

    Tang Van Lam

    2017-11-01

    Full Text Available Subject: factors such as pipe wall roughness, mechanical properties of pipe materials, physical properties of water affect the pressure surge in the water supply pipes. These factors make it difficult to analyze the transient problem of pressure evolution using simple programming language, especially in the studies that consider only the magnitude of the positive pressure surge with the negative pressure phase being neglected. Research objectives: determine the magnitude of the negative pressure in the pipes on the experimental model. The propagation distance of the negative pressure wave will be simulated by the valve closure scenarios with the help of the HAMMER software and it is compared with an experimental model to verify the quality the results. Materials and methods: academic version of the Bentley HAMMER software is used to simulate the pressure surge wave propagation due to closure of the valve in water supply pipe network. The method of characteristics is used to solve the governing equations of transient process of pressure change in the pipeline. This method is implemented in the HAMMER software to calculate the pressure surge value in the pipes. Results: the method has been applied for water pipe networks of experimental model, the results show the affected area of negative pressure wave from valve closure and thereby we assess the largest negative pressure that may appear in water supply pipes. Conclusions: the experiment simulates the water pipe network with a consumption node for various valve closure scenarios to determine possibility of appearance of maximum negative pressure value in the pipes. Determination of these values in real-life network is relatively costly and time-consuming but nevertheless necessary for identification of the risk of pipe failure, and therefore, this paper proposes using the simulation model by the HAMMER software. Initial calibration of the model combined with the software simulation results and

  13. Synthetic Scenarios from CMIP5 Model Simulations for Climate Change Impact Assessments in Managed Ecosystems and Water Resources: Case Study in South Asian Countries

    Science.gov (United States)

    Anandhi, A.; Omani, N.; Chaubey, I.; Horton, R.; Bader, D.; Nanjundiah, R. S.

    2017-01-01

    Increasing population, urbanization, and associated demand for food production compounded by climate change and variability have important implications for the managed ecosystems and water resources of a region. This is particularly true for south Asia, which supports one quarter of the global population, half of whom live below the poverty line. This region is largely dependent on monsoon precipitation for water. Given the limited resources of the developing countries in this region, the objective of our study was to empirically explore climate change in south Asia up to the year 2099 using monthly simulations from 35 global climate models (GCMs) participating in the fifth phase of the Climate Model Inter-comparison Project (CMIP5) for two future emission scenarios (representative concentration pathways RCP4.5 and RCP8.5) and provide a wide range of potential climate change outcomes. This was carried out using a three-step procedure: calculating the mean annual, monsoon, and non-monsoon precipitation and temperatures; estimating the percent change from historical conditions; and developing scenario funnels and synthetic scenarios. This methodology was applied for the entire south Asia region; however, the percent change information generated at 1.5deg grid scale can be used to generate scenarios at finer spatial scales. Our results showed a high variability in the future change in precipitation (-23% to 52%, maximum in the non-monsoon season) and temperature (0.8% to 2.1%) in the region. Temperatures in the region consistently increased, especially in the Himalayan region, which could have impacts including a faster retreat of glaciers and increased floods. It could also change rivers from perennial to seasonal, leading to significant challenges in water management. Increasing temperatures could further stress groundwater reservoirs, leading to withdrawal rates that become even more unsustainable. The high precipitation variability (with higher propensity for

  14. Equilibrium and kinetic study on chromium (VI removal from simulated waste water using gooseberry seeds as a novel biosorbent

    Directory of Open Access Journals (Sweden)

    J. Aravind

    2015-07-01

    Full Text Available Gooseberry seed (Phyllanthus acidus was used as an adsorbent to determine its feasibility for the removal of Cr(VI. Various parameters such as pH, temperature, contact time, initial metal concentration and adsorbent dosage were investigated to determine the biosorption performance. Equilibrium was attained within 60 minutes and maximum removal of 96% was achieved under the optimum conditions at pH 2. The adsorption phenomenon demonstrated here was monolayer represented by Langmuir isotherm with R2 value of 0.992 and the Langmuir constants k and q0 was found to be 0.0061 (L/mg and 19.23 (mg/g. The adsorption system obeyed Pseudo second order kinetics with R2 value of 0.999. The results of the present study indicated that gooseberry seed powder can be employed as adsorbent for the effective removal of hexavalent chromium economically.

  15. Purified water quality study

    International Nuclear Information System (INIS)

    Spinka, H.; Jackowski, P.

    2000-01-01

    Argonne National Laboratory (HEP) is examining the use of purified water for the detection medium in cosmic ray sensors. These sensors are to be deployed in a remote location in Argentina. The purpose of this study is to provide information and preliminary analysis of available water treatment options and associated costs. This information, along with the technical requirements of the sensors, will allow the project team to determine the required water quality to meet the overall project goals

  16. X-ray photoelectron spectroscopy and electrochemical studies of mild steel FeE500 passivation in concrete simulated water

    Science.gov (United States)

    Miserque, F.; Huet, B.; Azou, G.; Bendjaballah, D.; L'Hostis, V.

    2006-11-01

    In the context of the prediction of the long-term behaviour of reinforced concrete structures involved in the nuclear waste storage, the corrosion mechanisms of steels have to be assessed. When mild steel rebars are embedded in concrete, the chemical environment of the reinforcement is progressively modified, due to the carbonation of the concrete matrix. This modification leads to the variation of iron oxides properties formed at the steel/concrete interface, and the active corrosion can be initiated. The aim of this study is to evaluate the passivation behaviour and to provide insights into the depassivation of mild steel in concrete pore solution. In a young concrete, due to the alkalinity of the interstitial solution, steel reinforcement remains passive. Immersion tests of mild steel substrate in various alkaline solutions (from pH 13 to 10) have been performed. Due to the low thickness of the corrosion layers formed, X-ray photoelectron spectroscopy has been used to characterize them. In the passive domain, the corrosion products are similar for the various solutions. The corrosion layer is composed of a mixture of Fe3+ and Fe2+. A similar approach is used to determine the depassivation mechanism. The effect of various components such as carbonates, sulfates and silicates resulting from the dissolution of minerals of cement during the carbonation process is investigated. In addition to the surface analysis, the evolution of the electrochemical behaviour as function of the solution nature (pH) is evaluated with the help of electrochemical measurements (free corrosion potential, cyclic voltamperometry).

  17. Three-Dimensional Simulations of Oblique Asteroid Impacts into Water

    Science.gov (United States)

    Gisler, G. R.; Ferguson, J. M.; Heberling, T.; Plesko, C. S.; Weaver, R.

    2016-12-01

    Waves generated by impacts into oceans may represent the most significant danger from near-earth asteroids and comets. For impacts near populated shores, the crown splash and subsequent waves, accompanied by sediment lofting and high winds, could be more damaging than storm surges from the strongest hurricanes. For asteroids less than 500 m in diameter that impact into deep water far from shores, the waves produced will be detectable over large distances, but probably not significantly dangerous. We present new three-dimensional simulations of oblique impacts into deep water, with trajectory angles ranging from 20 degrees to 60 degrees (where 90 degrees is vertical). These simulations are performed with the Los Alamos Rage hydrocode, and include atmospheric effects including ablation and airbursts. These oblique impact simulations are specifically performed in order to help determine whether there are additional dangers from the obliquity of impact not covered by previous two-dimensional studies. Water surface elevation profiles, surface pressures, and depth-averaged mass fluxes within the water are prepared for use in propagation studies.

  18. Proton transfer through hydrogen bonds in two-dimensional water layers: A theoretical study based on ab initio and quantum-classical simulations

    International Nuclear Information System (INIS)

    Bankura, Arindam; Chandra, Amalendu

    2015-01-01

    The dynamics of proton transfer (PT) through hydrogen bonds in a two-dimensional water layer confined between two graphene sheets at room temperature are investigated through ab initio and quantum-classical simulations. The excess proton is found to be mostly solvated as an Eigen cation where the hydronium ion donates three hydrogen bonds to the neighboring water molecules. In the solvation shell of the hydronium ion, the three coordinated water molecules with two donor hydrogen bonds are found to be properly presolvated to accept a proton. Although no hydrogen bond needs to be broken for transfer of a proton to such presolvated water molecules from the hydronium ion, the PT rate is still found to be not as fast as it is for one-dimensional chains. Here, the PT is slowed down as the probability of finding a water with two donor hydrogen bonds in the solvation shell of the hydronium ion is found to be only 25%-30%. The hydroxide ion is found to be solvated mainly as a complex anion where it accepts four H-bonds through its oxygen atom and the hydrogen atom of the hydroxide ion remains free all the time. Here, the presolvation of the hydroxide ion to accept a proton requires that one of its hydrogen bonds is broken and the proton comes from a neighboring water molecule with two acceptor and one donor hydrogen bonds. The coordination number reduction by breaking of a hydrogen bond is a slow process, and also the population of water molecules with two acceptor and one donor hydrogen bonds is only 20%-25% of the total number of water molecules. All these factors together tend to slow down the hydroxide ion migration rate in two-dimensional water layers compared to that in three-dimensional bulk water

  19. Multiphase simulation of mine waters and aqueous leaching processes

    Directory of Open Access Journals (Sweden)

    Pajarre Risto

    2016-01-01

    Full Text Available Managing of large amounts of water in mining and mineral processing sites remains a concern in both actively operated and closed mining areas. When the mining site with its metal or concentrate producing units is operational, the challenge is to find either ways for economical processing with maximum yields, while minimizing the environmental impact of the water usage and waste salt treatments. For safe closure of the site, the environmental control of possible drainage will be needed. For both challenges, the present-day multiphase process simulations tools can be used to provide improved accuracy and better economy in controlling the smooth and environmentally sound operation of the plant. One of the pioneering studies in using the multiphase thermodynamic software in simulation of hydrometallurgical processes was that of Koukkari et al. [1]. The study covered the use of Solgasmix equilibrium software for a number of practical acid digesters. The models were made for sulfuric acid treatments in titania pigment production and in NPK fertilizer manufacturing. During the past two decades the extensive data assessment has taken place particularly in geochemistry and a new versions of geochemical multiphase equilibrium software has been developed. On the other hand, there has been some progress in development of the process simulation software in all the aforementioned fields. Thus, the thermodynamic simulation has become a tool of great importance in development of hydrometallurgical processes. The presentation will cover three example cases of either true pilot or industrial systems including a South African acid mine water drainage treatment, hydrometallurgical extraction of rare earths from uranium leachate in Russia and a multistage process simulation of a Finnish heap leaching mine with its subsequent water treatment system.

  20. Experiments with Interaction between the National Water Model and the Reservoir System Simulation Model: A Case Study of Russian River Basin

    Science.gov (United States)

    Kim, J.; Johnson, L.; Cifelli, R.; Chandra, C. V.; Gochis, D.; McCreight, J. L.; Yates, D. N.; Read, L.; Flowers, T.; Cosgrove, B.

    2017-12-01

    NOAA National Water Center (NWC) in partnership with the National Centers for Environmental Prediction (NCEP), the National Center for Atmospheric Research (NCAR) and other academic partners have produced operational hydrologic predictions for the nation using a new National Water Model (NWM) that is based on the community WRF-Hydro modeling system since the summer of 2016 (Gochis et al., 2015). The NWM produces a variety of hydrologic analysis and prediction products, including gridded fields of soil moisture, snowpack, shallow groundwater levels, inundated area depths, evapotranspiration as well as estimates of river flow and velocity for approximately 2.7 million river reaches. Also included in the NWM are representations for more than 1,200 reservoirs which are linked into the national channel network defined by the USGS NHDPlusv2.0 hydrography dataset. Despite the unprecedented spatial and temporal coverage of the NWM, many known deficiencies exist, including the representation of lakes and reservoirs. This study addresses the implementation of a reservoir assimilation scheme through coupling of a reservoir simulation model to represent the influence of managed flows. We examine the use of the reservoir operations to dynamically update lake/reservoir storage volume states, characterize flow characteristics of river reaches flowing into and out of lakes and reservoirs, and incorporate enhanced reservoir operating rules for the reservoir model options within the NWM. Model experiments focus on a pilot reservoir domain-Lake Mendocino, CA, and its contributing watershed, the East Fork Russian River. This reservoir is modeled using United States Army Corps of Engineers (USACE) HEC-ResSim developed for application to examine forecast informed reservoir operations (FIRO) in the Russian River basin.

  1. Pressure-induced transformations in computer simulations of glassy water

    Science.gov (United States)

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

    2013-11-01

    Glassy water occurs in at least two broad categories: low-density amorphous (LDA) and high-density amorphous (HDA) solid water. We perform out-of-equilibrium molecular dynamics simulations to study the transformations of glassy water using the ST2 model. Specifically, we study the known (i) compression-induced LDA-to-HDA, (ii) decompression-induced HDA-to-LDA, and (iii) compression-induced hexagonal ice-to-HDA transformations. We study each transformation for a broad range of compression/decompression temperatures, enabling us to construct a "P-T phase diagram" for glassy water. The resulting phase diagram shows the same qualitative features reported from experiments. While many simulations have probed the liquid-state phase behavior, comparatively little work has examined the transitions of glassy water. We examine how the glass transformations relate to the (first-order) liquid-liquid phase transition previously reported for this model. Specifically, our results support the hypothesis that the liquid-liquid spinodal lines, between a low-density and high-density liquid, are extensions of the LDA-HDA transformation lines in the limit of slow compression. Extending decompression runs to negative pressures, we locate the sublimation lines for both LDA and hyperquenched glassy water (HGW), and find that HGW is relatively more stable to the vapor. Additionally, we observe spontaneous crystallization of HDA at high pressure to ice VII. Experiments have also seen crystallization of HDA, but to ice XII. Finally, we contrast the structure of LDA and HDA for the ST2 model with experiments. We find that while the radial distribution functions (RDFs) of LDA are similar to those observed in experiments, considerable differences exist between the HDA RDFs of ST2 water and experiment. The differences in HDA structure, as well as the formation of ice VII (a tetrahedral crystal), are a consequence of ST2 overemphasizing the tetrahedral character of water.

  2. Irrigation water policy analysis using a business simulation game

    Science.gov (United States)

    Buchholz, M.; Holst, G.; Musshoff, O.

    2016-10-01

    Despite numerous studies on farmers' responses to changing irrigation water policies, uncertainties remain about the potential of water pricing schemes and water quotas to reduce irrigation. Thus far, policy impact analysis is predominantly based upon rational choice models that assume behavioral assumptions, such as a perfectly rational profit-maximizing decision maker. Also, econometric techniques are applied which could lack internal validity due to uncontrolled field data. Furthermore, such techniques are not capable of identifying ill-designed policies prior to their implementation. With this in mind, we apply a business simulation game for ex ante policy impact analysis of irrigation water policies at the farm level. Our approach has the potential to reveal the policy-induced behavioral change of the participants in a controlled environment. To do so, we investigate how real farmers from Germany, in an economic experiment, respond to a water pricing scheme and a water quota intending to reduce irrigation. In the business simulation game, the participants manage a "virtual" cash-crop farm for which they make crop allocation and irrigation decisions during several production periods, while facing uncertain product prices and weather conditions. The results reveal that a water quota is able to reduce mean irrigation applications, while a water pricing scheme does not have an impact, even though both policies exhibit equal income effects for the farmers. However, both policies appear to increase the variation of irrigation applications. Compared to a perfectly rational profit-maximizing decision maker, the participants apply less irrigation on average, both when irrigation is not restricted and when a water pricing scheme applies. Moreover, the participants' risk attitude affects the irrigation decisions.

  3. Long-term Simulation Study about the Impact of submerse Macrophytes on thermal Stratification Dynamics and Transport Processes in an extreme shallow water lake - Lake Federsee

    Science.gov (United States)

    Wolf, Thomas; Pöschke, Franziska; Pflugbeil, Thomas

    2017-04-01

    Lake Federsee is formed primarily by ice age processes and was subjected to strong siltation processes in post-glacial times, while in the last two centuries anthropogenic impact due to amelioration projects became more important and determined it's morphometry. Lake Federsee has a maximum length of 2.4 km, a maximum width of 1.1 km and an area of approx. 1.4 km2. With respect to it's area Lake Federsee is the third largest lake in the federal state of Baden-Wuerttemberg situated in the south of Germany. It is characterized by its very flat bathymetry with a maximum depth of about 3.15 m and an average depth of about 1 m. In recent years Lake Federsee has undergone a strong reduction of the nutrient content, thus developing from hypertrophic states in the years 1980ies to eutrophic conditions in the years 2000ies. Since 2005 this development is accompanied by a change of the general habitus of the lake converting from a lake dominated by algae to a lake dominated by macrophytes. Changing successions of aquatic plants have been observed in the lake with strong seasonal variations in the composition and density of the vegetation cover, however forming often an almost complete coverage of the lake. In the present study the implementation of the hydrodynamic, three-dimensional model DELFT3D - FLOW for this extreme shallow water lake will be presented. The impact of some numerical parameters will be investigated in a sensitivity study, which is aiming to set up the hydrodynamic model in an optimal way. This 3-dim hydrodynamic model is used to simulate the 3-dim flow field and to investigate the thermal stratification as well as the mixing processes taking place in this lake. The model is run for the simulation time period 2000 - 2016 having a horizontal resolution of dx=dy=50 m and 10 or 20 equidistantly spaced fixed vertical layers giving a vertical resolution of 0.32 or 0.16 m respectively. The timestep is choosen to be dt = 10 s. Analysis of the simulated vertical

  4. 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

  5. Conducting Simulation Studies in Psychometrics

    Science.gov (United States)

    Feinberg, Richard A.; Rubright, Jonathan D.

    2016-01-01

    Simulation studies are fundamental to psychometric discourse and play a crucial role in operational and academic research. Yet, resources for psychometricians interested in conducting simulations are scarce. This Instructional Topics in Educational Measurement Series (ITEMS) module is meant to address this deficiency by providing a comprehensive…

  6. An application of a water assessment and simulation model in the remediation of the eutrophication capacity of a tropical water system: Case study the Lake Obili in Yaounde (Cameroon

    Directory of Open Access Journals (Sweden)

    Ajeagah Gideon A.

    2017-06-01

    Full Text Available Lake Obili is one of the most famous lakes in the city of Yaounde, Cameroon. Studies carried out in this lake showed that it was hyper eutrophic and therefore it represents a great danger because it is used for aquaculture, tourism and a suitable laboratory for hydro-biological engineering. It is thus very vital to restore this lake ecosystem that singles itself in the heart of the city of Yaounde. This can be greatly facilitated through the use of Water Quality Analysis Simulation Program (WASP of the United State Environmental protection Agency (USEPA. The outcomes of the previous results obtained from EUTRO, a Subroutine of the WASP model specialised in determining eutrophication level have proven that the remediation of this lake can be achievable through the implementation of a wet dredging, the construction and restoration of a wastewater treatment plant, the implementation of environmental incentive policies and the arrangement of the access to the lake. The application of the model is a contribution to the scientific mastery of nutrient flow, lake functioning and possibilities of restauration of highly polluted tropical water bodies subjected to domestic and industrial pollution.

  7. Numerical study of Tallinn storm-water system flooding conditions using CFD simulations of multi-phase flow in a large-scale inverted siphon

    Science.gov (United States)

    Kaur, K.; Laanearu, J.; Annus, I.

    2017-10-01

    The numerical experiments are carried out for qualitative and quantitative interpretation of a multi-phase flow processes associated with malfunctioning of the Tallinn storm-water system during rain storms. The investigations are focused on the single-line inverted siphon, which is used as under-road connection of pipes of the storm-water system under interest. A multi-phase flow solver of Computational Fluid Dynamics software OpenFOAM is used for simulating the three-phase flow dynamics in the hydraulic system. The CFD simulations are performed with different inflow rates under same initial conditions. The computational results are compared essentially in two cases 1) design flow rate and 2) larger flow rate, for emptying the initially filled inverted siphon from a slurry-fluid. The larger flow-rate situations are under particular interest to detected possible flooding. In this regard, it is anticipated that the CFD solutions provide an important insight to functioning of inverted siphon under a restricted water-flow conditions at simultaneous presence of air and slurry-fluid.

  8. Conceptual model for simulating the water cycle of the Copenhagen area, Denmark

    DEFF Research Database (Denmark)

    Jeppesen, Jan; Christensen, Steen; Ladekarl, Ulla Lyngs

    2008-01-01

    A complete water cycle model has been constructed for the Copenhagen area (966 km2) in order to study the development of the water cycle during the period 1850-2003. The urban water cycle is quantified in terms of root zone water balance, water supply, waste water, storm water, groundwater flow......, and the interactions between these systems. The water cycle is simulated by combining a root-zone model, a grid distribution tool, and a modified Modflow-2000 model using existing flow packages and a new sewer package that simulates the interactions between ground water and sewers (or rain drains). Long time series...... cycle. It is also the hope that the model will provide a better and more complete overview of the consequences of different water management scenarios. The model concept and selected simulation results is presented....

  9. Computer simulation of the NASA water vapor electrolysis reactor

    Science.gov (United States)

    Bloom, A. M.

    1974-01-01

    The water vapor electrolysis (WVE) reactor is a spacecraft waste reclamation system for extended-mission manned spacecraft. The WVE reactor's raw material is water, its product oxygen. A computer simulation of the WVE operational processes provided the data required for an optimal design of the WVE unit. The simulation process was implemented with the aid of a FORTRAN IV routine.

  10. Launch Environment Water Flow Simulations Using Smoothed Particle Hydrodynamics

    Science.gov (United States)

    Vu, Bruce T.; Berg, Jared J.; Harris, Michael F.; Crespo, Alejandro C.

    2015-01-01

    This paper describes the use of Smoothed Particle Hydrodynamics (SPH) to simulate the water flow from the rainbird nozzle system used in the sound suppression system during pad abort and nominal launch. The simulations help determine if water from rainbird nozzles will impinge on the rocket nozzles and other sensitive ground support elements.

  11. Simulation in International Studies

    Science.gov (United States)

    Boyer, Mark A.

    2011-01-01

    Social scientists have long worked to replicate real-world phenomena in their research and teaching environments. Unlike our biophysical science colleagues, we are faced with an area of study that is not governed by the laws of physics and other more predictable relationships. As a result, social scientists, and international studies scholars more…

  12. Hybrid classical/quantum simulation for infrared spectroscopy of water

    Science.gov (United States)

    Maekawa, Yuki; Sasaoka, Kenji; Ube, Takuji; Ishiguro, Takashi; Yamamoto, Takahiro

    2018-05-01

    We have developed a hybrid classical/quantum simulation method to calculate the infrared (IR) spectrum of water. The proposed method achieves much higher accuracy than conventional classical molecular dynamics (MD) simulations at a much lower computational cost than ab initio MD simulations. The IR spectrum of water is obtained as an ensemble average of the eigenvalues of the dynamical matrix constructed by ab initio calculations, using the positions of oxygen atoms that constitute water molecules obtained from the classical MD simulation. The calculated IR spectrum is in excellent agreement with the experimental IR spectrum.

  13. Empowering stakeholders through simulation in water resources planning

    International Nuclear Information System (INIS)

    Palmer, R.N.; Keyes, A.M.; Fisher, S.

    1993-01-01

    During the past two years, researchers at the University of Washington (UW) have had the unique opportunity to facilitate and observe the development of drought planning activities associated with the National Drought Study (NDS) and its Drought Preparedness Studies (DPS) sites as sponsored by the Institute of Water Resources of the US Army Corps of Engineers. Each of the DPS sites is unique, with different study objectives and institutional constraints. However, one uniform requirement of the study is to develop tactical and strategic drought plans that can be successfully implemented within the study region. At the onset of the study, it was recognized that successful implementation is directly related to the active involvement of affected parties and agencies (denoted as stakeholders) and the degree to which they support the plan's conclusions. Their involvement is also necessary because the problems addressed by the DPS's require the experience and knowledge of a variety of water resource interests in order to arrive at effective alternatives. Their support of the plan conclusions enables regional implementation. Several techniques were used to encourage stakeholder participation in the planning process. Individuals representing the stakeholders had a wide range of professional backgrounds. This paper concentrates on one specific approach found useful in encouraging comprehensive and meaningful participation by a wide range of stakeholders; the development of object-oriented simulation models for the water resource systems under study. Simulation models were to develop tactical and strategic drought plans and to ensure the acceptance of the plans by building consensus among the stakeholders. The remainder of this paper describes: how simulation models became a part of the National Drought Study, procedures used to develop the DPS models, and how the model empowered stakeholders

  14. Formulation and make-up of simulated concentrated water, high ionic content aqueous solution

    International Nuclear Information System (INIS)

    Gdowski, G.

    1997-01-01

    This procedure describes the formulation and make-up of Simulated Concentrated Water (SCW), a high-ionic-content water to be used for Activity E-20-50 Long-Term Corrosion Studies. This water has an ionic content which is nominally a factor of a thousand higher than that of representative waters at or near Yucca Mountain. Representative waters were chosen as J-13 well water [Harrar, 1990] and perched water at Yucca Mountain [Glassley, 1996]. J-13 well water is obtained from ground water that is in contact with the Topopah Spring tuff, which is the repository horizon rock. The perched water is located in the Topopah Spring tuff, but below the repository horizon and above the water table. A nominal thousand times higher ionic content was chosen to simulate the water that would result from the wetting of salts which have been previously deposited on a container surface

  15. Formulation and make-up of simulate dilute water, low ionic content aqueous solution

    International Nuclear Information System (INIS)

    Gdowski, G.

    1997-01-01

    This procedure describes the formulation and make-up of Simulated Dilute Water (SOW), a low-ionic-content water to be used for Activity E-20-50, Long-Term Corrosion Studies. This water has an ionic content which is nominally a factor of ten higher than that of representative waters at or near Yucca Mountain. Representative waters were chosen as J-13 well water [Harrar, 1990] and perched water at Yucca Mountain [Glassley, 1996]. J-13 well water is obtained from ground water that is in contact with the Topopah Spring tuff, which is the repository horizon rock. The perched water is located in the Topopah Spring tuff, but below the repository horizon and above the water table. A nominal times ten higher ionic content was chosen to simulate the effect of ionic concentrating due to elevated temperature water flowing through fractures where salts and minerals have been deposited due to evaporation and boiling

  16. Supercritical water: On a road from CFD to NPP simulations

    International Nuclear Information System (INIS)

    Rintala, Lauri; Danielyan, Davit; Salomaa, Rainer

    2010-01-01

    The Fission and Radiation Physics Group at the Aalto University is contributing to the Finnish SCWR activities within the GEN4FIN-network. Our research involves reactor core thermal hydraulics, and in particular, heat transfer phenomena in supercritical water including both theoretical studies and simulations with APROS and OpenFOAM. APROS is a software applicable to full-scale power plant simulations and OpenFOAM an open source CFD code. The complicated heat transfer in the supercritical region is a very challenging problem for the design of SCWRs and their safety assessment. The steam tables of APROS have been extended to the supercritical region and their functionality has been tested with, e.g. blowdown simulations where the transient is rapid, hence mainly challenging for numerical stability whereas heat transfer has negligible effects. Numerous different heat correlations for supercritical water have been suggested , but simulations of benchmark experiments have shown that for instance fuel clad temperatures generally cannot be described sufficiently accurately. This discrepancy has been encountered in several process simulation codes. The largest errors occur near the pseudo critical line, during the heat transfer deterioration. It turns out that the physics in supercritical water is clearly more intricate than in ordinary boiling heat transfer where rather satisfactory heat transfer correlations are available. Full 3D CFD calculations allow a better description of various aspects of heat transfer in the supercritical region, i.e., effects arising from turbulence , buoyancy , varying material properties etc. On the other hand, CFD calculations are not feasible for plant-scale simulations. We have selected some simplified geometries and parameter ranges to study SCW heat transfer in a reactor. Old experiments have been calculated with satisfactory results with OpenFOAM to check its validity. A steady state case of heat transfer in a circular pipe with upward

  17. Simulation of low pressure water hammer

    Science.gov (United States)

    Himr, D.; Habán, V.

    2010-08-01

    Numerical solution of water hammer is presented in this paper. The contribution is focused on water hammer in the area of low pressure, which is completely different than high pressure case. Little volume of air and influence of the pipe are assumed in water, which cause sound speed change due to pressure alterations. Computation is compared with experimental measurement.

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

    Science.gov (United States)

    Gaigeot, Marie-Pierre

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

  19. Studying the response of CR-39 to radon in non-polar liquids above water by Monte Carlo simulation and measurement

    International Nuclear Information System (INIS)

    Rezaie, Mohammad Reza; Sohrabi, Mehdi; Negarestani, Ali

    2013-01-01

    measurements in water with a lower MDL than that of for example liquid scintillation method with a number of advantages. The results are presented and discussed. - Highlights: ► A new passive detection method is introduced for efficient radon measurements in water. ► Method is based on alpha tracks of radon/progeny in CR-39 in a non-polar medium above water. ► Sensitivity was enhanced (>80 times) relative to water by radon/progeny detected in hexane. ► Monte Carlo simulation was applied to determine CR-39 sensitivity to radon/progeny in water. ► The method has a number of advantages with MDL lower than alternative wide-scale methods

  20. Numerical simulation study of fracturing wells for shale gas with gas–water two-phase flow system under desorption and diffusion conditions

    Directory of Open Access Journals (Sweden)

    Jinzhou Zhao

    2016-06-01

    Full Text Available Hydraulic fracturing is an essential technology in developing shale gas reservoirs, not to mention, accurate prediction of productivity in fractured shale gas wells is the foundation of an efficient development in shale gas reservoirs. This paper establishes a gas–water two-phase flow percolation mathematical model by a determined numerical simulation and calculation method under desorption and diffusion conditions. By means of simulating for a post-frac performance of the shale gas reservoir, this paper devotes to a quantitative analysis the impact of fracture parameters, physical parameters, and desorption–diffusion parameters. The outcome of this research indicates that hydraulic fracturing can improve single well production and it's an effective measure in the development of shale gas. The conductivity of hydraulic fractures and the permeability of natural fractures are the main influences on shale gas production. The higher these factors are, the higher the gas and water productions are. In comparison, the matrix permeability and diffusion coefficients have minimal influences on production.

  1. Integrating Water Supply Constraints into Irrigated Agricultural Simulations of California

    Science.gov (United States)

    Winter, Jonathan M.; Young, Charles A.; Mehta, Vishal K.; Ruane, Alex C.; Azarderakhsh, Marzieh; Davitt, Aaron; McDonald, Kyle; Haden, Van R.; Rosenzweig, Cynthia E.

    2017-01-01

    Simulations of irrigated croplands generally lack key interactions between water demand from plants and water supply from irrigation systems. We coupled the Water Evaluation and Planning system (WEAP) and Decision Support System for Agrotechnology Transfer (DSSAT) to link regional water supplies and management with field-level water demand and crop growth. WEAP-DSSAT was deployed and evaluated over Yolo County in California for corn, rice, and wheat. WEAP-DSSAT is able to reproduce the results of DSSAT under well-watered conditions and reasonably simulate observed mean yields, but has difficulty capturing yield interannual variability. Constraining irrigation supply to surface water alone reduces yields for all three crops during the 1987-1992 drought. Corn yields are reduced proportionally with water allocation, rice yield reductions are more binary based on sufficient water for flooding, and wheat yields are least sensitive to irrigation constraints as winter wheat is grown during the wet season.

  2. Environmentally assisted cracking behaviour of copper in simulated ground water

    International Nuclear Information System (INIS)

    Hietanen, S.; Ehrnsten, U.; Saario, T.

    1996-05-01

    Environmentally assisted cracking (EAC) behaviour of pure oxygen free copper in simulated ground water with additions of sodium nitrite was studied. Low frequency corrosion fatigue tests with high positive load ratio values under crosshead speed control were performed using precracked diskshaped compact specimens C(T). The load ratio values were about 0.9 and the frequencies were between 0.0008 and 0.0017 Hz. Tests were performed under electrochemical potential control in an autoclave at room temperature and at 80 deg C. The aim of the study was to investigate the effects of repository environment on environmentally assisted cracking susceptibility of pure copper. (5 refs., 31 figs., 5 tabs.)

  3. Simulation of a pressurized-water nuclear power station

    International Nuclear Information System (INIS)

    Larminaux, Robert; Ourmann, Michel

    1978-01-01

    Faced with the large programme of fitting out PWR nuclear power stations, Electricite de France have undertaken a series of studies with a view to ensuring the best possible adaptation of the secondary part -particularly the feed water heating section- to the nuclear boiler. In order to undertake such studies it has been necessary to finalize simulation models of the entire power station. So as to verify the validity of the models, experiment-calculation comparisons were made during transient operating states recorded at the Ardennes power station as well as during starting up trials at the Tihange I power station [fr

  4. Water Clarity Simulant for K East Basin Filtration Testing

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, Andrew J.

    2006-01-20

    This document provides a simulant formulation intended to mimic the behavior of the suspended solids in the K East (KE) Basin fuel storage pool. The simulant will be used to evaluate alternative filtration apparatus to improve Basin water clarity and to possibly replace the existing sandfilter. The simulant was formulated based on the simulant objectives, the key identified parameters important to filtration, the composition and character of the KE Basin suspended sludge particles, and consideration of properties of surrogate materials.

  5. Surface Electrostatic Potential and Water Orientation in the presence of Sodium Octanoate Dilute Monolayers Studied by Means of Molecular Dynamics Simulations.

    Science.gov (United States)

    Bernardino, Kalil; de Moura, André F

    2015-10-13

    A series of atomistic molecular dynamics simulations were performed in the present investigation to assess the spontaneous formation of surfactant monolayers of sodium octanoate at the water-vacuum interface. The surfactant surface coverage increased until a saturation threshold was achieved, after which any further surfactant addition led to the formation of micellar aggregates within the solution. The saturated films were not densely packed, as might be expected for short-chained surfactants, and all films regardless of the surface coverage presented surfactant molecules with the same ordering pattern, namely, with the ionic heads toward the aqueous solution and the tails lying nearly parallel to the interface. The major contributions to the electrostatic surface potential came from the charged heads and the counterion distribution, which nearly canceled out each other. The balance between the oppositely charged ions rendered the electrostatic contributions from water meaningful, amounting to ca. 10% of the contributions arising from the ionic species. And even the aliphatic tails, whose atoms bear relatively small partial atomic charges as compared to the polar molecules and molecular fragments, contributed with ca. 20% of the total electrostatic surface potential of the systems under investigation. Although the aliphatic tails were not so orderly arranged as in a compact film, the C-H bonds assumed a preferential orientation, leading to an increased contribution to the electrostatic properties of the interface. The most prominent feature arising from the partitioning of the electrostatic potential into individual contributions was the long-range ordering of the water molecules. This ordering of the water molecules produced a repulsive dipole-dipole interaction between the two interfaces, which increased with the surface coverage. Only for a water layer wider than 10 nm was true bulk behavior observed, and the repulsive dipole-dipole interaction faded away.

  6. Simulation of sea water intrusion in coastal aquifers

    Indian Academy of Sciences (India)

    dependent miscible flow and transport modelling approach for simulation of seawater intrusion in coastal aquifers. A nonlinear optimization-based simulation methodology was used in this study. Various steady state simulations are performed for a ...

  7. Water Hammer Modelling and Simulation by GIS

    Directory of Open Access Journals (Sweden)

    K. Hariri Asli

    2012-01-01

    Full Text Available This work defined an Eulerian-based computational model compared with regression of the relationship between the dependent and independent variables for water hammer surge wave in transmission pipeline. The work also mentioned control of Unaccounted-for-Water (UFW based on the Geography Information System (GIS for water transmission pipeline. The experimental results of laboratory model and the field test results showed the validity of prediction achieved by computational model.

  8. Water simulation for cell based sandbox games

    OpenAIRE

    Lundell, Christian

    2014-01-01

    This thesis work presents a new algorithm for simulating fluid based on the Navier-Stokes equations. The algorithm is designed for cell based sandbox games where interactivity and performance are the main priorities. The algorithm enforces mass conservation conservatively instead of enforcing a divergence free velocity field. A global scale pressure model that simulates hydrostatic pressure is used where the pressure propagates between neighboring cells. A prefix sum algorithm is used to only...

  9. Simulation of water transport through a lipid membrane

    Energy Technology Data Exchange (ETDEWEB)

    Marrink, S.J.; Berendsen, H.J.C. (Univ. of Groningen (Netherlands))

    1994-04-14

    To obtain insight in the process of water permeation through a lipid membrane we performed molecular dynamics simulations on a phospholipid (DPPC)/water system with atomic detail. Since the actual process of permeation is too slow to be studied directly, we deduced the permeation rate indirectly via computation of the free energy and diffusion rate profiles of a water molecule across the bilayer. We concluded that the permeation of water through a lipid membrane cannot be described adequately by a simple homogeneous solubility-diffusion model. Both the excess free energy and the diffusion rate strongly depend on the position in the membrane, as a result from the inhomogeneous nature of the membrane. The calculated excess free energy profile has a shallow slope and a maximum height of 26 kJ/mol. The diffusion rate is highest in the middle of the membrane where the lipid density is low. In the interfacial region almost all water molecules are bound by the lipid headgroups, and the diffusion turns out to be 1 order of magnitude smaller. The total transport process is essentially determined by the free energy barrier. 78 refs., 12 figs.

  10. Molecular Dynamics Simulation of Water Nanodroplets on Silica Surfaces at High Air Pressures

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Jaffe, Richard Lawrence; Walther, Jens Honore

    2010-01-01

    e.g., nanobubbles. In the present work we study the role of air on the wetting of hydrophilic systems. We conduct molecular dynamics simulations of a water nanodroplet on an amorphous silica surface at different air pressures. The interaction potentials describing the silica, water, and air......Silicon dioxides-water systems are abundant in nature and play fundamental roles in a diversity of novel science and engineering applications. Although extensive research has been devoted to study the nature of the interaction between silica and water a complete understanding of the system has...... perform extensive simulations of the water- air equilibrium and calibrate the water-air interaction to match the experimental solubility of N2 and O2 in water. For the silica-water system we calibrate the water-silica interaction to match the experimental contact angle of 27º. We subsequently study...

  11. Mass imbalances in EPANET water-quality simulations

    Science.gov (United States)

    Davis, Michael J.; Janke, Robert; Taxon, Thomas N.

    2018-04-01

    EPANET is widely employed to simulate water quality in water distribution systems. However, in general, the time-driven simulation approach used to determine concentrations of water-quality constituents provides accurate results only for short water-quality time steps. Overly long time steps can yield errors in concentration estimates and can result in situations in which constituent mass is not conserved. The use of a time step that is sufficiently short to avoid these problems may not always be feasible. The absence of EPANET errors or warnings does not ensure conservation of mass. This paper provides examples illustrating mass imbalances and explains how such imbalances can occur because of fundamental limitations in the water-quality routing algorithm used in EPANET. In general, these limitations cannot be overcome by the use of improved water-quality modeling practices. This paper also presents a preliminary event-driven approach that conserves mass with a water-quality time step that is as long as the hydraulic time step. Results obtained using the current approach converge, or tend to converge, toward those obtained using the preliminary event-driven approach as the water-quality time step decreases. Improving the water-quality routing algorithm used in EPANET could eliminate mass imbalances and related errors in estimated concentrations. The results presented in this paper should be of value to those who perform water-quality simulations using EPANET or use the results of such simulations, including utility managers and engineers.

  12. Multiscale simulation of water flow past a C540 fullerene

    DEFF Research Database (Denmark)

    Walther, Jens Honore; Praprotnik, Matej; Kotsalis, Evangelos M.

    2012-01-01

    We present a novel, three-dimensional, multiscale algorithm for simulations of water flow past a fullerene. We employ the Schwarz alternating overlapping domain method to couple molecular dynamics (MD) of liquid water around the C540 buckyball with a Lattice–Boltzmann (LB) description for the Nav......We present a novel, three-dimensional, multiscale algorithm for simulations of water flow past a fullerene. We employ the Schwarz alternating overlapping domain method to couple molecular dynamics (MD) of liquid water around the C540 buckyball with a Lattice–Boltzmann (LB) description...

  13. Water Hammer Simulations of Monomethylhydrazine Propellant

    Science.gov (United States)

    Burkhardt, Zachary; Ramachandran, N.; Majumdar, A.

    2017-01-01

    Fluid Transient analysis is important for the design of spacecraft propulsion system to ensure structural stability of the system in the event of sudden closing or opening of the valve. Generalized Fluid System Simulation Program (GFSSP), a general purpose flow network code developed at NASA/MSFC is capable of simulating pressure surge due to sudden opening or closing of valve when thermodynamic properties of real fluid are available for the entire range of simulation. Specifically GFSSP needs an accurate representation of pressure density relationship in order to predict pressure surge during a fluid transient. Unfortunately, the available thermodynamic property programs such as REFPROP, GASP or GASPAK do not provide the thermodynamic properties of Monomethylhydrazine(MMH). This work illustrates the process used for building a customized table of properties of state variables from available properties and speed of sound that is required by GFSSP for simulation. Good agreement was found between the simulations and measured data. This method can be adopted for modeling flow networks and systems with other fluids whose properties are not known in detail in order to obtain general technical insight.

  14. Evaluating the Laplace pressure of water nanodroplets from simulations

    Science.gov (United States)

    Malek, Shahrazad M. A.; Sciortino, Francesco; Poole, Peter H.; Saika-Voivod, Ivan

    2018-04-01

    We calculate the components of the microscopic pressure tensor as a function of radial distance r from the centre of a spherical water droplet, modelled using the TIP4P/2005 potential. To do so, we modify a coarse-graining method for calculating the microscopic pressure (Ikeshoji et al 2003 Mol. Simul. 29 101) in order to apply it to a rigid molecular model of water. As test cases, we study nanodroplets ranging in size from 776 to 2880 molecules at 220 K. Beneath a surface region comprising approximately two molecular layers, the pressure tensor becomes approximately isotropic and constant with r. We find that the dependence of the pressure on droplet radius is that expected from the Young-Laplace equation, despite the small size of the droplets.

  15. Pressurized water reactor simulator. Workshop material. 2. ed

    International Nuclear Information System (INIS)

    2005-01-01

    The International Atomic Energy Agency (IAEA) has established an activity in nuclear reactor simulation computer programs to assist its Member States in education. The objective is to provide, for a variety of advanced reactor types, insight and practice in their operational characteristics and their response to perturbations and accident situations. To achieve this, the IAEA arranges for the development and distribution of simulation programs and educational material and sponsors courses and workshops. The workshops are in two parts: techniques and tools for reactor simulator development. And the use of reactor simulators in education. Workshop material for the first part is covered in the IAEA Training Course Series No. 12, 'Reactor Simulator Development' (2001). Course material for workshops using a WWER- 1000 reactor department simulator from the Moscow Engineering and Physics Institute, the Russian Federation is presented in the IAEA Training Course Series No. 21, 2nd edition, 'WWER-1000 Reactor Simulator' (2005). Course material for workshops using a boiling water reactor simulator developed for the IAEA by Cassiopeia Technologies Incorporated of Canada (CTI) is presented in the IAEA publication: Training Course Series No.23, 2nd edition, 'Boiling Water Reactor Simulator' (2005). This report consists of course material for workshops using a pressurized water reactor simulator

  16. Cerenkov radiation simulation in the Auger water ground detector

    International Nuclear Information System (INIS)

    Le Van Ngoc; Vo Van Thuan; Dang Quang Thieu

    2003-01-01

    The simulation of response of the Auger water Cerenkov ground detector to atmospheric shower muons in practically needed for the experimental research of cosmic rays at extreme energies. We consider here a simulation model for the process of emission and diffusion of Cerenkov photons concerned with muons moving through the detector volume with the velocity greater than the phase velocity of light in the water on purpose to define photons producing signal in the detector. (author)

  17. Numerical simulation of the free surface and water inflow of a slope, considering the nonlinear flow properties of gravel layers: a case study

    Science.gov (United States)

    Yang, Bin; Yang, Tianhong; Xu, Zenghe; Liu, Honglei; Shi, Wenhao; Yang, Xin

    2018-02-01

    Groundwater is an important factor of slope stability, and 90% of slope failures are related to the influence of groundwater. In the past, free surface calculations and the prediction of water inflow were based on Darcy's law. However, Darcy's law for steady fluid flow is a special case of non-Darcy flow, and many types of non-Darcy flows occur in practical engineering applications. In this paper, based on the experimental results of laboratory water seepage tests, the seepage state of each soil layer in the open-pit slope of the Yanshan Iron Mine, China, were determined, and the seepage parameters were obtained. The seepage behaviour in the silt layer, fine sand layer, silty clay layer and gravelly clay layer followed the traditional Darcy law, while the gravel layers showed clear nonlinear characteristics. The permeability increases exponentially and the non-Darcy coefficient decreases exponentially with an increase in porosity, and the relation among the permeability, the porosity and the non-Darcy coefficient is investigated. A coupled mathematical model is established for two flow fields, on the basis of Darcy flow in the low-permeability layers and Forchheimer flow in the high-permeability layers. In addition, the effect of the seepage in the slope on the transition from Darcy flow to Forchheimer flow was considered. Then, a numerical simulation was conducted by using finite-element software (FELAC 2.2). The results indicate that the free surface calculated by the Darcy-Forchheimer model is in good agreement with the in situ measurements; however, there is an evident deviation of the simulation results from the measured data when the Darcy model is used. Through a parameter sensitivity analysis of the gravel layers, it can be found that the height of the overflow point and the water inflow calculated by the Darcy-Forchheimer model are consistently less than those of the Darcy model, and the discrepancy between these two models increases as the permeability

  18. Simulation of water hammer experiments using RELAP5 code

    International Nuclear Information System (INIS)

    Kaliatka, A.; Vaisnoras, M.

    2005-01-01

    The rapid closing or opening of a valve causes pressure transients in pipelines. The fast deceleration of the liquid results in high pressure surges upstream the valve, thus the kinetic energy is transformed into the potential energy, which leads to the temporary pressure increases. This phenomenon is called water hammer. The intensity of water hammer effects will depend upon the rate of change in the velocity or momentum. Generally water hammer can occur in any thermal-hydraulic systems and it is extremely dangerous for the thermal-hydraulic system since, if the pressure induced exceeds the pressure range of a pipe given by the manufacturer, it can lead to the failure of the pipeline integrity. Due to its potential for damage of pipes, water hammer has been a subject of study since the middle of the nineteenth century. Many theoretical and experimental investigations were performed. The experimental investigation of the water hammer tests performed at Fraunhofer Institute for Environmental, Safety and Energy Technology (UMSICHT) [1] and Cold Water Hammer experiment performed by Forschungszentrum Rossendorf (CWHTF) [2] should be mentioned. The UMSICHT facility in Oberhausen was modified in order to simulate a piping system and associated supports that are typical for a nuclear power plant [3]. The Cold water hammer experiment is interesting and instructive because it covers a wide spectrum of particularities. One of them is sub-cooled water interaction with condensing steam at the closed end of the vertical pipe at room temperature and corresponding saturation pressure [4]. In the paper, the capabilities of RELAP5 code to correctly represent the water hammer phenomenon are presented. Paper presents the comparison of RELAP5 calculated and measured at UMSICHT and CWHTF test facilities pressure transient values after the fast closure (opening) of valves. The analyses of rarefaction wave travels inside the pipe and condensation of vapour bubbles in the liquid column

  19. GROWTH OF HETROTROPHIC BIOFILMS IN A WATER DISTRIBUTION SYSTEM SIMULATOR

    Science.gov (United States)

    The U.S. EPA has designed and constructed a distribution system simulator (DSS) to evaluate factors which influence water quality within water distribution systems. Six individual 25 meter lengths of 15 cm diameter ductile iron pipe are arranged into loop configurations. Each lo...

  20. Simulating water hammer with corrective smoothed particle method

    NARCIS (Netherlands)

    Hou, Q.; Kruisbrink, A.C.H.; Tijsseling, A.S.; Keramat, A.

    2012-01-01

    The corrective smoothed particle method (CSPM) is used to simulate water hammer. The spatial derivatives in the water-hammer equations are approximated by a corrective kernel estimate. For the temporal derivatives, the Euler-forward time integration algorithm is employed. The CSPM results are in

  1. The Silica-Water Interface from the Analysis of Molecular Dynamic Simulations

    KAUST Repository

    Lardhi, Sheikha F.

    2013-01-01

    detailed understanding of the silica-water interface. In this study, we investigate the details of this interaction at microscopic level by analyzing trajectories obtained with ab initio molecular dynamic simulations. The system we consider consists of bulk

  2. Water management simulation games and the construction of knowledge

    Science.gov (United States)

    Rusca, M.; Heun, J.; Schwartz, K.

    2012-08-01

    In recent years, simulations have become an important part of teaching activities. The reasons behind the popularity of simulation games are twofold. On the one hand, emerging theories on how people learn have called for an experienced-based learning approach. On the other hand, the demand for water management professionals has changed. Three important developments are having considerable consequences for water management programmes, which educate and train these professionals. These developments are the increasing emphasis on integration in water management, the characteristics and speed of reforms in the public sector and the shifting state-society relations in many countries. In response to these developments, demand from the labour market is oriented toward water professionals who need to have both a specialist in-depth knowledge in their own field, as well as the ability to understand and interact with other disciplines and interests. In this context, skills in negotiating, consensus building and working in teams are considered essential for all professionals. In this paper, we argue that simulation games have an important role to play in (actively) educating students and training the new generation of water professionals to respond to the above-mentioned challenges. At the same time, simulations are not a panacea for learners and teachers. Challenges of using simulation games include the demands it places on the teacher. Setting up the simulation game, facilitating the delivery and ensuring that learning objectives are achieved require considerable knowledge and experience as well as considerable time-inputs of the teacher. Moreover, simulation games usually incorporate a case-based learning model, which may neglect or underemphasize theories and conceptualizations. For simulations to be effective, they have to be embedded in this larger theoretical and conceptual framework. Simulations, therefore, complement rather than substitute traditional teaching

  3. Water management simulation games and the construction of knowledge

    Directory of Open Access Journals (Sweden)

    M. Rusca

    2012-08-01

    Full Text Available In recent years, simulations have become an important part of teaching activities. The reasons behind the popularity of simulation games are twofold. On the one hand, emerging theories on how people learn have called for an experienced-based learning approach. On the other hand, the demand for water management professionals has changed. Three important developments are having considerable consequences for water management programmes, which educate and train these professionals. These developments are the increasing emphasis on integration in water management, the characteristics and speed of reforms in the public sector and the shifting state-society relations in many countries. In response to these developments, demand from the labour market is oriented toward water professionals who need to have both a specialist in-depth knowledge in their own field, as well as the ability to understand and interact with other disciplines and interests. In this context, skills in negotiating, consensus building and working in teams are considered essential for all professionals. In this paper, we argue that simulation games have an important role to play in (actively educating students and training the new generation of water professionals to respond to the above-mentioned challenges. At the same time, simulations are not a panacea for learners and teachers. Challenges of using simulation games include the demands it places on the teacher. Setting up the simulation game, facilitating the delivery and ensuring that learning objectives are achieved require considerable knowledge and experience as well as considerable time-inputs of the teacher. Moreover, simulation games usually incorporate a case-based learning model, which may neglect or underemphasize theories and conceptualizations. For simulations to be effective, they have to be embedded in this larger theoretical and conceptual framework. Simulations, therefore, complement rather than substitute

  4. Continuum simulations of water flow past fullerene molecules

    DEFF Research Database (Denmark)

    Popadic, A.; Praprotnik, M.; Koumoutsakos, P.

    2015-01-01

    We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently by continuum flow...

  5. Simulation of Water Chemistry using and Geochemistry Code, PHREEQE

    Energy Technology Data Exchange (ETDEWEB)

    Chi, J.H. [Korea Electric Power Research Institute, Taejeon (Korea)

    2001-07-01

    This report introduces principles and procedures of simulation for water chemistry using a geochemistry code, PHREEQE. As and example of the application of this code, we described the simulation procedure for titration of an aquatic sample with strong acid to investigate the state of Carbonates in aquatic solution. Major contents of this report are as follows; Concepts and principles of PHREEQE, Kinds of chemical reactions which may be properly simulated by PHREEQE, The definition and meaning of each input data, An example of simulation using PHREEQE. (author). 2 figs., 1 tab.

  6. Influence of root-water-uptake parameterization on simulated heat transport in a structured forest soil

    Science.gov (United States)

    Votrubova, Jana; Vogel, Tomas; Dohnal, Michal; Dusek, Jaromir

    2015-04-01

    Coupled simulations of soil water flow and associated transport of substances have become a useful and increasingly popular tool of subsurface hydrology. Quality of such simulations is directly affected by correctness of its hydraulic part. When near-surface processes under vegetation cover are of interest, appropriate representation of the root water uptake becomes essential. Simulation study of coupled water and heat transport in soil profile under natural conditions was conducted. One-dimensional dual-continuum model (S1D code) with semi-separate flow domains representing the soil matrix and the network of preferential pathways was used. A simple root water uptake model based on water-potential-gradient (WPG) formulation was applied. As demonstrated before [1], the WPG formulation - capable of simulating both the compensatory root water uptake (in situations when reduced uptake from dry layers is compensated by increased uptake from wetter layers), and the root-mediated hydraulic redistribution of soil water - enables simulation of more natural soil moisture distribution throughout the root zone. The potential effect on heat transport in a soil profile is the subject of the present study. [1] Vogel T., M. Dohnal, J. Dusek, J. Votrubova, and M. Tesar. 2013. Macroscopic modeling of plant water uptake in a forest stand involving root-mediated soil-water redistribution. Vadose Zone Journal, 12, 10.2136/vzj2012.0154. The research was supported by the Czech Science Foundation Project No. 14-15201J.

  7. How processing digital elevation models can affect simulated water budgets

    Science.gov (United States)

    Kuniansky, E.L.; Lowery, M.A.; Campbell, B.G.

    2009-01-01

    For regional models, the shallow water table surface is often used as a source/sink boundary condition, as model grid scale precludes simulation of the water table aquifer. This approach is appropriate when the water table surface is relatively stationary. Since water table surface maps are not readily available, the elevation of the water table used in model cells is estimated via a two-step process. First, a regression equation is developed using existing land and water table elevations from wells in the area. This equation is then used to predict the water table surface for each model cell using land surface elevation available from digital elevation models (DEM). Two methods of processing DEM for estimating the land surface for each cell are commonly used (value nearest the cell centroid or mean value in the cell). This article demonstrates how these two methods of DEM processing can affect the simulated water budget. For the example presented, approximately 20% more total flow through the aquifer system is simulated if the centroid value rather than the mean value is used. This is due to the one-third greater average ground water gradients associated with the centroid value than the mean value. The results will vary depending on the particular model area topography and cell size. The use of the mean DEM value in each model cell will result in a more conservative water budget and is more appropriate because the model cell water table value should be representative of the entire cell area, not the centroid of the model cell.

  8. Adaptive resolution simulation of an atomistic protein in MARTINI water

    International Nuclear Information System (INIS)

    Zavadlav, Julija; Melo, Manuel Nuno; Marrink, Siewert J.; Praprotnik, Matej

    2014-01-01

    We present an adaptive resolution simulation of protein G in multiscale water. We couple atomistic water around the protein with mesoscopic water, where four water molecules are represented with one coarse-grained bead, farther away. We circumvent the difficulties that arise from coupling to the coarse-grained model via a 4-to-1 molecule coarse-grain mapping by using bundled water models, i.e., we restrict the relative movement of water molecules that are mapped to the same coarse-grained bead employing harmonic springs. The water molecules change their resolution from four molecules to one coarse-grained particle and vice versa adaptively on-the-fly. Having performed 15 ns long molecular dynamics simulations, we observe within our error bars no differences between structural (e.g., root-mean-squared deviation and fluctuations of backbone atoms, radius of gyration, the stability of native contacts and secondary structure, and the solvent accessible surface area) and dynamical properties of the protein in the adaptive resolution approach compared to the fully atomistically solvated model. Our multiscale model is compatible with the widely used MARTINI force field and will therefore significantly enhance the scope of biomolecular simulations

  9. Pump-stopping water hammer simulation based on RELAP5

    International Nuclear Information System (INIS)

    Yi, W S; Jiang, J; Li, D D; Lan, G; Zhao, Z

    2013-01-01

    RELAP5 was originally designed to analyze complex thermal-hydraulic interactions that occur during either postulated large or small loss-of-coolant accidents in PWRs. However, as development continued, the code was expanded to include many of the transient scenarios that might occur in thermal-hydraulic systems. The fast deceleration of the liquid results in high pressure surges, thus the kinetic energy is transformed into the potential energy, which leads to the temporary pressure increase. This phenomenon is called water hammer. Generally water hammer can occur in any thermal-hydraulic systems and it is extremely dangerous for the system when the pressure surges become considerably high. If this happens and when the pressure exceeds the critical pressure that the pipe or the fittings along the pipeline can burden, it will result in the failure of the whole pipeline integrity. The purpose of this article is to introduce the RELAP5 to the simulation and analysis of water hammer situations. Based on the knowledge of the RELAP5 code manuals and some relative documents, the authors utilize RELAP5 to set up an example of water-supply system via an impeller pump to simulate the phenomena of the pump-stopping water hammer. By the simulation of the sample case and the subsequent analysis of the results that the code has provided, we can have a better understand of the knowledge of water hammer as well as the quality of the RELAP5 code when it's used in the water-hammer fields. In the meantime, By comparing the results of the RELAP5 based model with that of other fluid-transient analysis software say, PIPENET. The authors make some conclusions about the peculiarity of RELAP5 when transplanted into water-hammer research and offer several modelling tips when use the code to simulate a water-hammer related case

  10. Pump-stopping water hammer simulation based on RELAP5

    Science.gov (United States)

    Yi, W. S.; Jiang, J.; Li, D. D.; Lan, G.; Zhao, Z.

    2013-12-01

    RELAP5 was originally designed to analyze complex thermal-hydraulic interactions that occur during either postulated large or small loss-of-coolant accidents in PWRs. However, as development continued, the code was expanded to include many of the transient scenarios that might occur in thermal-hydraulic systems. The fast deceleration of the liquid results in high pressure surges, thus the kinetic energy is transformed into the potential energy, which leads to the temporary pressure increase. This phenomenon is called water hammer. Generally water hammer can occur in any thermal-hydraulic systems and it is extremely dangerous for the system when the pressure surges become considerably high. If this happens and when the pressure exceeds the critical pressure that the pipe or the fittings along the pipeline can burden, it will result in the failure of the whole pipeline integrity. The purpose of this article is to introduce the RELAP5 to the simulation and analysis of water hammer situations. Based on the knowledge of the RELAP5 code manuals and some relative documents, the authors utilize RELAP5 to set up an example of water-supply system via an impeller pump to simulate the phenomena of the pump-stopping water hammer. By the simulation of the sample case and the subsequent analysis of the results that the code has provided, we can have a better understand of the knowledge of water hammer as well as the quality of the RELAP5 code when it's used in the water-hammer fields. In the meantime, By comparing the results of the RELAP5 based model with that of other fluid-transient analysis software say, PIPENET. The authors make some conclusions about the peculiarity of RELAP5 when transplanted into water-hammer research and offer several modelling tips when use the code to simulate a water-hammer related case.

  11. Simulations of Water Migration in the Lunar Exosphere

    Science.gov (United States)

    Hurley, D.; Benna, M.; Mahaffy, P. R.; Elphic, R. C.; Goldstein, D. B.

    2014-12-01

    We perform modeling and analysis of water in the lunar exosphere. There were two controlled experiments of water interactions with the surface of the Moon observed by the Lunar Atmosphere and Dust Environment Explorer (LADEE) Neutral Mass Spectrometer (NMS). The Chang'e 3 landing on the Moon on 14 Dec 2013 putatively sprayed ~120 kg of water on the surface on the Moon at a mid-morning local time. Observations by LADEE near the noon meridian on six of the orbits in the 24 hours following the landing constrain the propagation of water vapor. Further, on 4 Apr 2014, LADEE's Orbital Maintenance Manuever (OMM) #21 sprayed the surface of the Moon with an estimated 0.73 kg of water in the pre-dawn sector. Observations of this maneuver and later in the day constrain the adsorption and release at dawn of adsorbed materials. Using the Chang'e 3 exhaust plume and LADEE's OMM-21 as control experiments, we set limits to the adsorption and thermalization of water with lunar regolith. This enables us to predict the efficiency of the migration of water as a delivery mechanism to the lunar poles. Then we simulate the migration of water through the lunar exosphere using the rate of sporadic inputs from meteoritic sources (Benna et al., this session). Simulations predict the amount of water adsorbed to the surface of the Moon and the effective delivery rate to the lunar polar cold traps.

  12. Numerical simulation of water flow in lysimeters; Numerische Simulation des Wasserflusses in Lysimetern

    Energy Technology Data Exchange (ETDEWEB)

    Honisch, M.; Klotz, D. [GSF - Forschungszentrum fuer Umwelt und Gesundheit GmbH, Neuherberg (Germany). Inst. fuer Hydrologie

    1999-02-01

    A small-scale lysimeter plant on the premises of GSF has been dedicated to the study of water movement in sediments of Quaternary and Tertiary origin. The purpose of the present study was to describe water transport and non-reactive transport in the lysimeters under transient conditions and test the suitability of the numerical simulation programme Hydrus-2D for the unsaturated zone. The hydraulic characteristics and dispersiveness parameters were derived from earlier studies. The validity of these values was determined on the basis of a tracer experiment using the ideal tracer tritium water. [Deutsch] Zur Charakterisierung der Wasserbewegung in Sedimenten quartaeren und tertiaeren Ursprungs wird auf dem Gelaende der GSF eine Kleinlysimeteranlage betrieben. Ziel der vorliegenden Untersuchung war es, den Wasserfluss und nicht-reaktiven Transport in den Saeulen unter transienten Bedingungen zu beschreiben und hierbei die Eignung des numerischen Simulationsprogramms Hydrus-2D fuer die ungesaettigte Zone zu ueberpruefen. Die hydraulischen Kenngroessen und Dispersivitaetsparameter waren aus frueheren Untersuchungen abzuleiten. Die offene Frage hinsichtlich der Validitaet dieser Werte sollte auf der Grundlage eines Tracerexperiments mit tritiiertem Wasser als idealem Tracer ueberprueft werden. (orig.)

  13. A MODFLOW Infiltration Device Package for Simulating Storm Water Infiltration.

    Science.gov (United States)

    Jeppesen, Jan; Christensen, Steen

    2015-01-01

    This article describes a MODFLOW Infiltration Device (INFD) Package that can simulate infiltration devices and their two-way interaction with groundwater. The INFD Package relies on a water balance including inflow of storm water, leakage-like seepage through the device faces, overflow, and change in storage. The water balance for the device can be simulated in multiple INFD time steps within a single MODFLOW time step, and infiltration from the device can be routed through the unsaturated zone to the groundwater table. A benchmark test shows that the INFD Package's analytical solution for stage computes exact results for transient behavior. To achieve similar accuracy by the numerical solution of the MODFLOW Surface-Water Routing (SWR1) Process requires many small time steps. Furthermore, the INFD Package includes an improved representation of flow through the INFD sides that results in lower infiltration rates than simulated by SWR1. The INFD Package is also demonstrated in a transient simulation of a hypothetical catchment where two devices interact differently with groundwater. This simulation demonstrates that device and groundwater interaction depends on the thickness of the unsaturated zone because a shallow groundwater table (a likely result from storm water infiltration itself) may occupy retention volume, whereas a thick unsaturated zone may cause a phase shift and a change of amplitude in groundwater table response to a change of infiltration. We thus find that the INFD Package accommodates the simulation of infiltration devices and groundwater in an integrated manner on small as well as large spatial and temporal scales. © 2014, National Ground Water Association.

  14. Thermodynamic simulation of ammonia-water absorption refrigeration system

    Directory of Open Access Journals (Sweden)

    Sathyabhama A.

    2008-01-01

    Full Text Available The ammonia-water absorption refrigeration system is attracting increasing research interests, since the system can be powered by waste thermal energy, thus reducing demand on electricity supply. The development of this technology demands reliable and effective system simulations. In this work, a thermodynamic simulation of the cycle is carried out to investigate the effects of different operating variables on the performance of the cycle. A computer program in C language is written for the performance analysis of the cycle.

  15. Numerical simulation of water quality in Yangtze Estuary

    Directory of Open Access Journals (Sweden)

    Xi Li

    2009-12-01

    Full Text Available In order to monitor water quality in the Yangtze Estuary, water samples were collected and field observation of current and velocity stratification was carried out using a shipboard acoustic Doppler current profiler (ADCP. Results of two representative variables, the temporal and spatial variation of new point source sewage discharge as manifested by chemical oxygen demand (COD and the initial water quality distribution as manifested by dissolved oxygen (DO, were obtained by application of the Environmental Fluid Dynamics Code (EFDC with solutions for hydrodynamics during tides. The numerical results were compared with field data, and the field data provided verification of numerical application: this numerical model is an effective tool for water quality simulation. For point source discharge, COD concentration was simulated with an initial value in the river of zero. The simulated increments and distribution of COD in the water show acceptable agreement with field data. The concentration of DO is much higher in the North Branch than in the South Branch due to consumption of oxygen in the South Branch resulting from discharge of sewage from Shanghai. The DO concentration is greater in the surface layer than in the bottom layer. The DO concentration is low in areas with a depth of less than 20 m, and high in areas between the 20-m and 30-m isobaths. It is concluded that the numerical model is valuable in simulation of water quality in the case of specific point source pollutant discharge. The EFDC model is also of satisfactory accuracy in water quality simulation of the Yangtze Estuary.

  16. Numerical simulation of water and sand blowouts when penetrating through shallow water flow formations in deep water drilling

    Science.gov (United States)

    Ren, Shaoran; Liu, Yanmin; Gong, Zhiwu; Yuan, Yujie; Yu, Lu; Wang, Yanyong; Xu, Yan; Deng, Junyu

    2018-02-01

    In this study, we applied a two-phase flow model to simulate water and sand blowout processes when penetrating shallow water flow (SWF) formations during deepwater drilling. We define `sand' as a pseudo-component with high density and viscosity, which can begin to flow with water when a critical pressure difference is attained. We calculated the water and sand blowout rates and analyzed the influencing factors from them, including overpressure of the SWF formation, as well as its zone size, porosity and permeability, and drilling speed (penetration rate). The obtained data can be used for the quantitative assessment of the potential severity of SWF hazards. The results indicate that overpressure of the SWF formation and its zone size have significant effects on SWF blowout. A 10% increase in the SWF formation overpressure can result in a more than 90% increase in the cumulative water blowout and a 150% increase in the sand blowout when a typical SWF sediment is drilled. Along with the conventional methods of well flow and pressure control, chemical plugging, and the application of multi-layer casing, water and sand blowouts can be effectively reduced by increasing the penetration rate. As such, increasing the penetration rate can be a useful measure for controlling SWF hazards during deepwater drilling.

  17. Simulation models for water pollution in rivers and lakes; Suishitsu osen no simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hosomi, M. [Tokyo Univ. of Agriculture and Technology, Koganei (Japan). Faculty of Technology

    1996-11-05

    Rivers, lakes, and dam lakes are taken up as fields related to urban environment, and simulation models for water pollution control is introduced which are considered to be important for controlling water quality. In connection with rivers, a model showing the relationship between organic contamination and DO (dissolved oxygen) as well as an analyzed example of the use of continuous data of easy-to-measure DO are introduced. DO and pH in urban rivers sometimes exceed the environmental standards in the dry season. The cause is greater effect of biofilm adhesion at the river bed due to elongated staying time, and the establishment of the maintained river flow rate must be reviewed. One of the problems of ecological models is the deficiency of the data for the verification of the ecological models, and arrangement to solve the problem is required. Although it is admitted that simulation of phytoplankton in which neural network is employed has just started, it is expected to become an effective means for the study of phenomena which can not be elucidated by the modeling using normal numeric models. 7 refs., 13 figs.

  18. Eco-hydrological process simulations within an integrated surface water-groundwater model

    DEFF Research Database (Denmark)

    Butts, Michael; Loinaz, Maria Christina; Bauer-Gottwein, Peter

    2014-01-01

    Integrated water resources management requires tools that can quantify changes in groundwater, surface water, water quality and ecosystem health, as a result of changes in catchment management. To address these requirements we have developed an integrated eco-hydrological modelling framework...... that allows hydrologists and ecologists to represent the complex and dynamic interactions occurring between surface water, ground water, water quality and freshwater ecosystems within a catchment. We demonstrate here the practical application of this tool to two case studies where the interaction of surface...... water and ground water are important for the ecosystem. In the first, simulations are performed to understand the importance of surface water-groundwater interactions for a restored riparian wetland on the Odense River in Denmark as part of a larger investigation of water quality and nitrate retention...

  19. 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...

  20. Simulations of water nano-confined between corrugated planes

    Science.gov (United States)

    Zubeltzu, Jon; Artacho, Emilio

    2017-11-01

    Water confined to nanoscale widths in two dimensions between ideal planar walls has been the subject of ample study, aiming at understanding the intrinsic response of water to confinement, avoiding the consideration of the chemistry of actual confining materials. In this work, we study the response of such nanoconfined water to the imposition of a periodicity in the confinement by means of computer simulations, both using empirical potentials and from first-principles. For that we propose a periodic confining potential emulating the atomistic oscillation of the confining walls, which allows varying the lattice parameter and amplitude of the oscillation. We do it for a triangular lattice, with several values of the lattice parameter: one which is ideal for commensuration with layers of Ih ice and other values that would correspond to more realistic substrates. For the former, the phase diagram shows an overall rise of the melting temperature. The liquid maintains a bi-layer triangular structure, however, despite the fact that it is not favoured by the external periodicity. The first-principles liquid is significantly affected by the modulation in its layering and stacking even at relatively small amplitudes of the confinement modulation. Beyond some critical modulation amplitude, the hexatic phase present in flat confinement is replaced by a trilayer crystalline phase unlike any of the phases encountered for flat confinement. For more realistic lattice parameters, the liquid does not display higher tendency to freeze, but it clearly shows inhomogeneous behaviour as the strength of the rugosity increases. In spite of this expected inhomogeneity, the structural and dynamical response of the liquid is surprisingly insensitive to the external modulation. Although the first-principles calculations give a more triangular liquid than the one observed with empirical potentials (TIP4P/2005), both agree remarkably well for the main conclusions of the study.

  1. Simulation Games: The Future of Water Resources Education and Management?

    Science.gov (United States)

    Castilla Rho, J. C.; Mariethoz, G.; Rojas, R. F.; Andersen, M. S.; Kelly, B. F.; Holley, C.

    2014-12-01

    Scientists rely on models of the water cycle to describe and predict problems of water scarcity in a changing climate, and to suggest adaptation strategies for securing future water needs. Yet these models are too often complicated for managers, the general public and for students to understand. Simpler modelling environments will help with finding solutions by engaging a broader segment of the population. Such environments will enable education at the earliest stages and collective action. I propose that simulation games can be an effective communication platform between scientists and 'non-experts' and that such games will shed light on problems of pollution and overuse of water resources. In the same way as pilots use flight simulators to become proficient at flying aircraft, simulation games—if underpinned by good science—can be used to educate the public, students and managers about how to best manage our water resources. I aim to motivate young scientists to think about using games to advance water education and management.

  2. Simulation of water quality for Salt Creek in northeastern Illinois

    Science.gov (United States)

    Melching, Charles S.; Chang, T.J.

    1996-01-01

    Water-quality processes in the Salt Creek watershed in northeastern Illinois were simulated with a computer model. Selected waste-load scenarios for 7-day, 10-year low-flow conditions were simulated in the stream system. The model development involved the calibration of the U.S. Environmental Protection Agency QUAL2E model to water-quality constituent concentration data collected by the Illinois Environmental Protection Agency (IEPA) for a diel survey on August 29-30, 1995, and the verification of this model with water-quality constituent concentration data collected by the IEPA for a diel survey on June 27-28, 1995. In-stream measurements of sediment oxygen demand rates and carbonaceous biochemical oxygen demand (CBOD) decay rates by the IEPA and traveltime and reaeration-rate coefficients by the U.S. Geological Survey facilitated the development of a model for simulation of water quality in the Salt Creek watershed. In general, the verification of the calibrated model increased confidence in the utility of the model for water-quality planning in the Salt Creek watershed. However, the model was adjusted to better simulate constituent concentrations measured during the June 27-28, 1995, diel survey. Two versions of the QUAL2E model were utilized to simulate dissolved oxygen (DO) concentrations in the Salt Creek watershed for selected effluent discharge and concentration scenarios for water-quality planning: (1) the QUAL2E model calibrated to the August 29-30, 1995, diel survey, and (2) the QUAL2E model adjusted to the June 27-28, 1995, diel survey. The results of these simulations indicated that the QUAL2E model adjusted to the June 27-28, 1995, diel survey simulates reliable information for water-quality planning. The results of these simulations also indicated that to maintain DO concentrations greater than 5 milligrams per liter (mg/L) throughout most of Salt Creek for 7-day, 10-year low-flow conditions, the sewage-treatment plants (STP's) must discharge

  3. LWR [Light Water Reactor] power plant simulations using the AD10 and AD100 systems

    International Nuclear Information System (INIS)

    Wulff, W.; Cheng, H.S.; Chien, C.J.; Jang, J.Y.; Lin, H.C.; Mallen, A.N.; Wang, S.J.

    1989-01-01

    Boiling (BWR) and Pressurized (PWR) Water Reactor Power Plants are being simulated at BNL with the AD10 and AD100 Peripheral Processor Systems. The AD10 system has been used for BWR simulations since 1984 for safety analyses, emergency training and optimization studies. BWR simulation capabilities have been implemented recently on the AD100 system and PWR simulation capabilities are currently being developed under the auspices of international cooperation. Modeling and simulation methods are presented with emphasis on the simulation of the Nuclear Steam Supply System. Results are presented for BWR simulation and performance characteristics are compared of the AD10 and AD100 systems. It will be shown that the AD100 simulates two times faster than two AD10 processors operating in parallel and that the computing capacity of one AD100 (with FMU processor) is twice as large as that of two AD10 processors. 9 refs., 5 figs., 1 tab

  4. Computational Simulation of a Water-Cooled Heat Pump

    Science.gov (United States)

    Bozarth, Duane

    2008-01-01

    A Fortran-language computer program for simulating the operation of a water-cooled vapor-compression heat pump in any orientation with respect to gravity has been developed by modifying a prior general-purpose heat-pump design code used at Oak Ridge National Laboratory (ORNL).

  5. Simulation of heavy metal contamination of fresh water bodies: toxic ...

    African Journals Online (AJOL)

    Michael Horsfall

    www.bioline.org.br/ja. Simulation of heavy metal contamination of fresh water bodies: toxic effects in the ... 96 hours (though sampling was done at the 48th hour). Biochemical markers of ... silver, while enhancing the bioavailability of mercury in Ceriodaphnia ..... Biochemical and molecular disorders of bilirubin metabolism.

  6. Water Flow Simulation using Smoothed Particle Hydrodynamics (SPH)

    Science.gov (United States)

    Vu, Bruce; Berg, Jared; Harris, Michael F.

    2014-01-01

    Simulation of water flow from the rainbird nozzles has been accomplished using the Smoothed Particle Hydrodynamics (SPH). The advantage of using SPH is that no meshing is required, thus the grid quality is no longer an issue and accuracy can be improved.

  7. Control algorithm for multiscale flow simulations of water

    DEFF Research Database (Denmark)

    Kotsalis, E. M.; Walther, Jens Honore; Kaxiras, E.

    2009-01-01

    We present a multiscale algorithm to couple atomistic water models with continuum incompressible flow simulations via a Schwarz domain decomposition approach. The coupling introduces an inhomogeneity in the description of the atomistic domain and prevents the use of periodic boundary conditions...

  8. Molecular Theory and Simulation of Water-Oil Contacts

    Science.gov (United States)

    Tan, Liang

    The statistical mechanical theory of hydrophobic interactions was initiated decades ago for purely repulsive hydrophobic species, in fact, originally for hard-sphere solutes in liquid water. Systems which treat only repulsive solute-water interactions obviously differ from the real world situation. The issue of the changes to be expected from inclusion of realistic attractive solute-water interactions has been of specific interest also for decades. We consider the local molecular field (LMF) theory for the effects of solute attractive forces on hydrophobic interactions. The principal result of LMF theory is outlined, then tested by obtaining radial distribution functions (rdfs) for Ar atoms in water, with and without attractive interactions distinguished by the Weeks-Chandler-Andersen (WCA) separation. Change from purely repulsive atomic solute interactions to include realistic attractive interactions substantially diminishes the strength of hydrophobic bonds. Since attractions make a big contribution to hydrophobic interactions, Pratt-Chandler theory, which did not include attractions, should not be naively compared to computer simulation results with general physical interactions, including attractions. Lack of general appreciation of this point has lead to mistaken comparisons throughout the history of this subject. The rdfs permit evaluation of osmotic second virial coefficients B2. Those B 2 are consistent with the conclusion that incorporation of attractive interactions leads to more positive (repulsive) values. In all cases here, B2 becomes more attractive with increasing temperature below T = 360K, the so-call inverse temperature behavior. In 2010, the Gulf of Mexico Macondo well (Deepwater Horizon) oil spill focused the attention of the world on water-oil phase equilibrium. In response to the disaster, chemical dispersants were applied to break oil slicks into droplets and thus to avoid large-scale fouling of beaches and to speed up biodegradation

  9. Mass imbalances in EPANET water-quality simulations

    Energy Technology Data Exchange (ETDEWEB)

    Davis, Michael J.; Janke, Robert; Taxon, Thomas N.

    2018-04-06

    EPANET is widely employed to simulate water quality in water distribution systems. However, the time-driven simulation approach used to determine concentrations of water-quality constituents provides accurate results, in general, only for small water-quality time steps; use of an adequately short time step may not be feasible. Overly long time steps can yield errors in concentrations and result in situations in which constituent mass is not conserved. Mass may not be conserved even when EPANET gives no errors or warnings. This paper explains how such imbalances can occur and provides examples of such cases; it also presents a preliminary event-driven approach that conserves mass with a water-quality time step that is as long as the hydraulic time step. Results obtained using the current approach converge, or tend to converge, to those obtained using the new approach as the water-quality time step decreases. Improving the water-quality routing algorithm used in EPANET could eliminate mass imbalances and related errors in estimated concentrations.

  10. A water market simulator considering pair-wise trades between agents

    Science.gov (United States)

    Huskova, I.; Erfani, T.; Harou, J. J.

    2012-04-01

    In many basins in England no further water abstraction licences are available. Trading water between water rights holders has been recognized as a potentially effective and economically efficient strategy to mitigate increasing scarcity. A screening tool that could assess the potential for trade through realistic simulation of individual water rights holders would help assess the solution's potential contribution to local water management. We propose an optimisation-driven water market simulator that predicts pair-wise trade in a catchment and represents its interaction with natural hydrology and engineered infrastructure. A model is used to emulate licence-holders' willingness to engage in short-term trade transactions. In their simplest form agents are represented using an economic benefit function. The working hypothesis is that trading behaviour can be partially predicted based on differences in marginal values of water over space and time and estimates of transaction costs on pair-wise trades. We discuss the further possibility of embedding rules, norms and preferences of the different water user sectors to more realistically represent the behaviours, motives and constraints of individual licence holders. The potential benefits and limitations of such a social simulation (agent-based) approach is contrasted with our simulator where agents are driven by economic optimization. A case study based on the Dove River Basin (UK) demonstrates model inputs and outputs. The ability of the model to suggest impacts of water rights policy reforms on trading is discussed.

  11. A holistic water depth simulation model for small ponds

    Science.gov (United States)

    Ali, Shakir; Ghosh, Narayan C.; Mishra, P. K.; Singh, R. K.

    2015-10-01

    Estimation of time varying water depth and time to empty of a pond is prerequisite for comprehensive and coordinated planning of water resource for its effective utilization. A holistic water depth simulation (HWDS) and time to empty (TE) model for small, shallow ephemeral ponds have been derived by employing the generalized model based on the Green-Ampt equation in the basic water balance equation. The HWDS model includes time varying rainfall, runoff, surface water evaporation, outflow and advancement of wetting front length as external inputs. The TE model includes two external inputs; surface water evaporation and advancement of wetting front length. Both the models also consider saturated hydraulic conductivity and fillable porosity of the pond's bed material as their parameters. The solution of the HWDS model involved numerical iteration in successive time intervals. The HWDS model has successfully evaluated with 3 years of field data from two small ponds located within a watershed in a semi-arid region in western India. The HWDS model simulated time varying water depth in the ponds with high accuracy as shown by correlation coefficient (R2 ⩾ 0.9765), index of agreement (d ⩾ 0.9878), root mean square errors (RMSE ⩽ 0.20 m) and percent bias (PB ⩽ 6.23%) for the pooled data sets of the measured and simulated water depth. The statistical F and t-tests also confirmed the reliability of the HWDS model at probability level, p ⩽ 0.0001. The response of the TE model showed its ability to estimate the time to empty the ponds. An additional field calibration and validation of the HWDS and TE models with observed field data in varied hydro-climatic conditions could be conducted to increase the applicability and credibility of the models.

  12. Design of virtual SCADA simulation system for pressurized water reactor

    International Nuclear Information System (INIS)

    Wijaksono, Umar; Abdullah, Ade Gafar; Hakim, Dadang Lukman

    2016-01-01

    The Virtual SCADA system is a software-based Human-Machine Interface that can visualize the process of a plant. This paper described the results of the virtual SCADA system design that aims to recognize the principle of the Nuclear Power Plant type Pressurized Water Reactor. This simulation uses technical data of the Nuclear Power Plant Unit Olkiluoto 3 in Finland. This device was developed using Wonderware Intouch, which is equipped with manual books for each component, animation links, alarm systems, real time and historical trending, and security system. The results showed that in general this device can demonstrate clearly the principles of energy flow and energy conversion processes in Pressurized Water Reactors. This virtual SCADA simulation system can be used as instructional media to recognize the principle of Pressurized Water Reactor

  13. Design of virtual SCADA simulation system for pressurized water reactor

    Energy Technology Data Exchange (ETDEWEB)

    Wijaksono, Umar, E-mail: umar.wijaksono@student.upi.edu; Abdullah, Ade Gafar; Hakim, Dadang Lukman [Electrical Power System Research Group, Department of Electrical Engineering Education, Jl. Dr. Setiabudi No. 207 Bandung, Indonesia 40154 (Indonesia)

    2016-02-08

    The Virtual SCADA system is a software-based Human-Machine Interface that can visualize the process of a plant. This paper described the results of the virtual SCADA system design that aims to recognize the principle of the Nuclear Power Plant type Pressurized Water Reactor. This simulation uses technical data of the Nuclear Power Plant Unit Olkiluoto 3 in Finland. This device was developed using Wonderware Intouch, which is equipped with manual books for each component, animation links, alarm systems, real time and historical trending, and security system. The results showed that in general this device can demonstrate clearly the principles of energy flow and energy conversion processes in Pressurized Water Reactors. This virtual SCADA simulation system can be used as instructional media to recognize the principle of Pressurized Water Reactor.

  14. A simulation study of the effect of soil water balance andwater stress on winter wheat production under different climate change scenarios

    Czech Academy of Sciences Publication Activity Database

    Eitzinger, J.; Šťastná, M.; Žalud, Z.; Dubrovský, Martin

    2003-01-01

    Roč. 61, - (2003), s. 195-217 ISSN 0378-3774 R&D Projects: GA ČR GA521/99/D040 Institutional research plan: CEZ:AV0Z3042911 Keywords : water stress effect * soil water balance * DSSAT crop model Subject RIV: DG - Athmosphere Sciences, Meteorology Impact factor: 0.865, year: 2003

  15. Planning for Regional Water Resources in Northwest China Using a Dynamic Simulation Model

    Science.gov (United States)

    Chen, C.; Kalra, A.; Ahmad, S.

    2014-12-01

    Problem of water scarcity is prominent in northwest China due to its typical desert climate. Exceedence of sustainable yield of groundwater resources has resulted in groundwater depletion, which has raised a series of issues such as drying wells, increasing pumping costs and environmental damage. With a rapid agricultural and economic development, population increase has added extra stress on available water resources by increasing municipal, agricultural and industrial demands. This necessitates efficient water resources management strategies with better understanding of the causes of water stress and options for sustainable development of economy and management of environment. This study focuses on simulating the water supply and demand, under the influence of changing climate, for Shanshan County, located in northwest of China. A dynamic simulation model is developed using the modeling tool Stella for monthly water balance for the period ranging from 2000-2030. Different future water demand and supply scenarios are developed to represent: (1) base scenario- with current practices; (2) change of the primary water source; (3) improvement of irrigation efficiency; (4) reduction of irrigation area; and (5) reduction of industrial water demand. The results indicate that besides growing demand, the low water use efficiency and low level of water reuse are the primary concerns for water scarcity. Groundwater recharge and abstraction could be balanced by 2030, by reducing industrial demand by 50% and using high efficiency irrigation for agriculture. The model provided a better understanding of the effect of different policies and can help in identifying water resources management strategies.

  16. Reply to Comment on 'Diffusion of water and sodium counter-ions in nanopores of β-lactoglobulin crystal: a molecular simulation study'

    International Nuclear Information System (INIS)

    Malek, Kourosh; Coppens, Marc-Olivier

    2008-01-01

    The analysis in Hu and Jiang's Comment to our paper cannot reveal long-time diffusion, and incorrectly led the authors to conclude that the diffusion in beta-lactoglobuline is anomalous. In this context, the limitations of applying a mean-square displacement analysis to short, heterogeneous pore channels are discussed. A more appropriate approach based on first-passage time analysis is illustrated by a detailed analysis of water motion in a natural membrane protein channel. The partitioning and the motion of water molecules between core and surface hydration layers is discussed. Finally, the calculation of the water density profile is commented upon. (reply)

  17. Shallow Water Acoustics Studies

    Science.gov (United States)

    2017-11-19

    LE O CEAN RAPHIC I TITUTI Appli d Oc:ean Physics and E11gi1i,ering Depar1111,11t vember 9, 2017 Dr. Robert Headrick ffice of Naval Resear h, ode...UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) 8. PERFORMING ORGANIZATION REPORT Applied Ocean Physics and Engineering Department...2015). [3] J.F. Lynch and A.E. Newhall, "Shallow water acoustics", book chapter in "Practical Underwater Acoustics," L. Bjorno, T. Neighbors, and D

  18. Water desalination price from recent performances: Modelling, simulation and analysis

    International Nuclear Information System (INIS)

    Metaiche, M.; Kettab, A.

    2005-01-01

    The subject of the present article is the technical simulation of seawater desalination, by a one stage reverse osmosis system, the objectives of which are the recent valuation of cost price through the use of new membrane and permeator performances, the use of new means of simulation and modelling of desalination parameters, and show the main parameters influencing the cost price. We have taken as the simulation example the Seawater Desalting centre of Djannet (Boumerdes, Algeria). The present performances allow water desalting at a price of 0.5 $/m 3 , which is an interesting and promising price, corresponding with the very acceptable water product quality, in the order of 269 ppm. It is important to run the desalting systems by reverse osmosis under high pressure, resulting in further decrease of the desalting cost and the production of good quality water. Aberration in choice of functioning conditions produces high prices and unacceptable quality. However there exists the possibility of decreasing the price by decreasing the requirement on the product quality. The seawater temperature has an effect on the cost price and quality. The installation of big desalting centres, contributes to the decrease in prices. A very important, long and tedious calculation is effected, which is impossible to conduct without programming and informatics tools. The use of the simulation model has been much efficient in the design of desalination centres that can perform at very improved prices. (author)

  19. Methane hydrate dissociation using inverted five-spot water flooding method in cubic hydrate simulator

    International Nuclear Information System (INIS)

    Li, Gang; Li, Xiao-Sen; Li, Bo; Wang, Yi

    2014-01-01

    The combination forms of the hydrate dissociation methods in different well systems are divided into 6 main patterns. Dissociation processes of methane hydrate in porous media using the inverted five-spot water flooding method (Pattern 4) are investigated by the experimental observation and numerical simulation. In situ methane hydrate is synthesized in the Cubic Hydrate Simulator (CHS), a 5.832-L cubic reactor. A center vertical well is used as the hot water injection well, while the four vertical wells at the corner are the gas and water production wells. The gas production begins simultaneously with the hot water injection, while after approximately 20 min of compression, the water begins to be produced. One of the common characteristics of the inverted five-spot water flooding method is that both the gas and water production rates decrease with the reduction of the hydrate dissociation rate. The evaluation of the energy efficiency ratio might indicate the inverted five-spot water flooding as a promising gas producing method from the hydrate reservoir. - Highlights: • A three-dimensional 5.8-L cubic pressure vessel is developed. • Gas production of hydrate using inverted five-spot flooding method is studied. • Water/gas production rate and energy efficiency ratio are evaluated. • Temperature distributions of numerical simulation and experiment agree well. • Hydrate dissociation process is a moving boundary problem in this study

  20. A simulation of water pollution model parameter estimation

    Science.gov (United States)

    Kibler, J. F.

    1976-01-01

    A parameter estimation procedure for a water pollution transport model is elaborated. A two-dimensional instantaneous-release shear-diffusion model serves as representative of a simple transport process. Pollution concentration levels are arrived at via modeling of a remote-sensing system. The remote-sensed data are simulated by adding Gaussian noise to the concentration level values generated via the transport model. Model parameters are estimated from the simulated data using a least-squares batch processor. Resolution, sensor array size, and number and location of sensor readings can be found from the accuracies of the parameter estimates.

  1. Computational fluid dynamics simulations of light water reactor flows

    International Nuclear Information System (INIS)

    Tzanos, C.P.; Weber, D.P.

    1999-01-01

    Advances in computational fluid dynamics (CFD), turbulence simulation, and parallel computing have made feasible the development of three-dimensional (3-D) single-phase and two-phase flow CFD codes that can simulate fluid flow and heat transfer in realistic reactor geometries with significantly reduced reliance, especially in single phase, on empirical correlations. The objective of this work was to assess the predictive power and computational efficiency of a CFD code in the analysis of a challenging single-phase light water reactor problem, as well as to identify areas where further improvements are needed

  2. Corrosion studies with high burnup light water reactor fuel. Release of nuclides into simulated groundwater during accumulated contact time of up to two years

    Energy Technology Data Exchange (ETDEWEB)

    Zwicky, Hans-Urs (Zwicky Consulting GmbH, Remigen (Switzerland)); Low, Jeanett; Ekeroth, Ella (Studsvik Nuclear AB, Nykoeping (Sweden))

    2011-03-15

    In the framework of comprehensive research work supporting the development of a Swedish concept for the disposal of highly radioactive waste and spent fuel, Studsvik has performed a significant number of spent fuel corrosion studies under a variety of different conditions. These experiments, performed between 1990 and 2002, covered a burnup range from 27 to 49 MWd/kgU, which was typical for fuel to be disposed at that time. As part of this work, the so called Series 11 tests were performed under oxidising conditions in synthetic groundwater with fuel samples from a rod irradiated in the Ringhals 1 Boiling Water Reactor (BWR). In the meantime, Swedish utilities tend to increase the discharge burnup of fuel operated in their reactors. This means that knowledge of spent fuel corrosion performance has to be extended to higher burnup as well. Therefore, a series of experiments has been started at Studsvik, aiming at extending the data base acquired in the Series 11 corrosion tests to higher burnup fuel. Fuel burnup leads to complex and significant changes in the composition and properties of the fuel. The transformed microstructure, which is referred to as the high burnup structure or rim structure in the outer region of the fuel, consists of small grains of submicron size and a high concentration of pores of typical diameter 1 to 2 mum. This structure forms in UO{sub 2} fuel at a local burnup above 50 MWd/kgU, as long as the temperature is below 1,000-1,100 deg C. The high burnup at the pellet periphery is the consequence of plutonium build-up by neutron capture in 238U followed by fission of the formed plutonium. The amount of fission products in the fuel increases more or less linearly with burnup, in contrast to alpha emitting actinides that increase above average. As burnup across a spent fuel pellet is not uniform, but increases towards the periphery, the radiation field is also larger at the pellet surface. At the same time, it is easier for water to access the

  3. Corrosion studies with high burnup light water reactor fuel. Release of nuclides into simulated groundwater during accumulated contact time of up to two years

    International Nuclear Information System (INIS)

    Zwicky, Hans-Urs; Low, Jeanett; Ekeroth, Ella

    2011-03-01

    In the framework of comprehensive research work supporting the development of a Swedish concept for the disposal of highly radioactive waste and spent fuel, Studsvik has performed a significant number of spent fuel corrosion studies under a variety of different conditions. These experiments, performed between 1990 and 2002, covered a burnup range from 27 to 49 MWd/kgU, which was typical for fuel to be disposed at that time. As part of this work, the so called Series 11 tests were performed under oxidising conditions in synthetic groundwater with fuel samples from a rod irradiated in the Ringhals 1 Boiling Water Reactor (BWR). In the meantime, Swedish utilities tend to increase the discharge burnup of fuel operated in their reactors. This means that knowledge of spent fuel corrosion performance has to be extended to higher burnup as well. Therefore, a series of experiments has been started at Studsvik, aiming at extending the data base acquired in the Series 11 corrosion tests to higher burnup fuel. Fuel burnup leads to complex and significant changes in the composition and properties of the fuel. The transformed microstructure, which is referred to as the high burnup structure or rim structure in the outer region of the fuel, consists of small grains of submicron size and a high concentration of pores of typical diameter 1 to 2 μm. This structure forms in UO 2 fuel at a local burnup above 50 MWd/kgU, as long as the temperature is below 1,000-1,100 deg C. The high burnup at the pellet periphery is the consequence of plutonium build-up by neutron capture in 238 U followed by fission of the formed plutonium. The amount of fission products in the fuel increases more or less linearly with burnup, in contrast to alpha emitting actinides that increase above average. As burnup across a spent fuel pellet is not uniform, but increases towards the periphery, the radiation field is also larger at the pellet surface. At the same time, it is easier for water to access the

  4. Simulation of the hydrogeologic effects of oil-shale mining on the neighbouring wetland water balance: case study in north-eastern Estonia

    Science.gov (United States)

    Marandi, Andres; Karro, Enn; Polikarpus, Maile; Jõeleht, Argo; Kohv, Marko; Hang, Tiit; Hiiemaa, Helen

    2013-11-01

    The water balance of wetlands plays an integral role in their function. Developments adjacent to wetlands can affect their water balance through impacts on groundwater flow and increased discharge in the area, and they can cause lowering of the wetland water table. A 430 km2 area was selected for groundwater modelling to asses the effect of underground mining on the water balance of wetlands in north-eastern Estonia. A nature conservation area (encompassing Selisoo bog) is within 3 km of an underground oil-shale mine. Two future mining scenarios with different areal extents of mining were modeled and compared to the present situation. Results show that the vertical hydraulic conductivity of the subsurface is of critical importance to potential wetland dewatering as a result of mining. Significant impact on the Selisoo bog water balance will be caused by the approaching mine but there will be only minor additional impacts from mining directly below the bog. The major impact will arise before that stage, when the underground mine extension reaches the border of the nature conservation area; since the restriction of activities in this area relates to the ground surface, the conservation area’s border is not sufficiently protective in relation to underground development.

  5. Molecular simulation of water removal from simple gases with zeolite NaA.

    Science.gov (United States)

    Csányi, Eva; Ható, Zoltán; Kristóf, Tamás

    2012-06-01

    Water vapor removal from some simple gases using zeolite NaA was studied by molecular simulation. The equilibrium adsorption properties of H(2)O, CO, H(2), CH(4) and their mixtures in dehydrated zeolite NaA were computed by grand canonical Monte Carlo simulations. The simulations employed Lennard-Jones + Coulomb type effective pair potential models, which are suitable for the reproduction of thermodynamic properties of pure substances. Based on the comparison of the simulation results with experimental data for single-component adsorption at different temperatures and pressures, a modified interaction potential model for the zeolite is proposed. In the adsorption simulations with mixtures presented here, zeolite exhibits extremely high selectivity of water to the investigated weakly polar/non-polar gases demonstrating the excellent dehydration ability of zeolite NaA in engineering applications.

  6. Simulation of upward flux from shallow water-table using UPFLOW model

    Directory of Open Access Journals (Sweden)

    M. H. Ali

    2013-11-01

    Full Text Available The upward movement of water by capillary rise from shallow water-table to the root zone is an important incoming flux. For determining exact amount of irrigation requirement, estimation of capillary flux or upward flux is essential. Simulation model can provide a reliable estimate of upward flux under variable soil and climatic conditions. In this study, the performance of model UPFLOW to estimate upward flux was evaluated. Evaluation of model performance was performed with both graphical display and statistical criteria. In distribution of simulated capillary rise values against observed field data, maximum data points lie around the 1:1 line, which means that the model output is reliable and reasonable. The coefficient of determination between observed and simulated values was 0.806 (r = 0.93, which indicates a good inter-relation between observed and simulated values. The relative error, model efficiency, and index of agreement were found as 27.91%, 85.93% and 0.96, respectively. Considering the graphical display of observed and simulated upward flux and statistical indicators, it can be concluded that the overall performance of the UPFLOW model in simulating actual upward flux from a crop field under variable water-table condition is satisfactory. Thus, the model can be used to estimate capillary rise from shallow water-table for proper estimation of irrigation requirement, which would save valuable water from over-irrigation.

  7. Simulation of water movement and NaCl transport

    International Nuclear Information System (INIS)

    Li Xun; Zheng Zhihong; Yang Zeping

    2008-01-01

    Modeling of water flow and solute transport in the near-field of a high-level radioactive waste repository with TOUGH2 is done. The results show that salt accumulation in buffer material is not so significant, precipitation does not occur throughout the period covered by our simualtions. Further more, the changeable law of volumetric water content, liquid velocity and dissolved concentration of sodium chloride with simulated time or distance are attained, which is the base of understanding evolvement of near-field. (authors)

  8. Simulation of water hammer phenomena using the system code ATHLET

    Energy Technology Data Exchange (ETDEWEB)

    Bratfisch, Christoph; Koch, Marco K. [Bochum Univ. (Germany). Reactor Simulation and Safety Group

    2017-07-15

    Water Hammer Phenomena can endanger the integrity of structures leading to a possible failure of pipes in nuclear power plants as well as in many industrial applications. These phenomena can arise in nuclear power plants in the course of transients and accidents induced by the start-up of auxiliary feed water systems or emergency core cooling systems in combination with rapid acting valves and pumps. To contribute to further development and validation of the code ATHLET (Analysis of Thermalhydraulics of Leaks and Transients), an experiment performed in the test facility Pilot Plant Pipework (PPP) at Fraunhofer UMSICHT is simulated using the code version ATHLET 3.0A.

  9. Simulation of gas compressible flow by free surface water flow

    International Nuclear Information System (INIS)

    Altafini, C.R.; Silva Ferreira, R.T. da

    1981-01-01

    The analogy between the water flow with a free surface and the compressible fluid flow, commonly called hydraulic analogy, is analyzed and its limitations are identified. The water table is the equipment used for this simulation, which allows the quatitative analysis of subsonic and supersonic flow with a low cost apparatus. The hydraulic analogy is applied to subsonic flow around circular cylinders and supersonic flow around cones. The results are compared with available theoretical and experimental data and a good agreement is achieved. (Author) [pt

  10. Simulation of water hammer phenomena using the system code ATHLET

    International Nuclear Information System (INIS)

    Bratfisch, Christoph; Koch, Marco K.

    2017-01-01

    Water Hammer Phenomena can endanger the integrity of structures leading to a possible failure of pipes in nuclear power plants as well as in many industrial applications. These phenomena can arise in nuclear power plants in the course of transients and accidents induced by the start-up of auxiliary feed water systems or emergency core cooling systems in combination with rapid acting valves and pumps. To contribute to further development and validation of the code ATHLET (Analysis of Thermalhydraulics of Leaks and Transients), an experiment performed in the test facility Pilot Plant Pipework (PPP) at Fraunhofer UMSICHT is simulated using the code version ATHLET 3.0A.

  11. Growth Kinetics of the Homogeneously Nucleated Water Droplets: Simulation Results

    International Nuclear Information System (INIS)

    Mokshin, Anatolii V; Galimzyanov, Bulat N

    2012-01-01

    The growth of homogeneously nucleated droplets in water vapor at the fixed temperatures T = 273, 283, 293, 303, 313, 323, 333, 343, 353, 363 and 373 K (the pressure p = 1 atm.) is investigated on the basis of the coarse-grained molecular dynamics simulation data with the mW-model. The treatment of simulation results is performed by means of the statistical method within the mean-first-passage-time approach, where the reaction coordinate is associated with the largest droplet size. It is found that the water droplet growth is characterized by the next features: (i) the rescaled growth law is unified at all the considered temperatures and (ii) the droplet growth evolves with acceleration and follows the power law.

  12. The Consortium for Advanced Simulation of Light Water Reactors

    International Nuclear Information System (INIS)

    Szilard, Ronaldo; Zhang, Hongbin; Kothe, Douglas; Turinsky, Paul

    2011-01-01

    The Consortium for Advanced Simulation of Light Water Reactors (CASL) is a DOE Energy Innovation Hub for modeling and simulation of nuclear reactors. It brings together an exceptionally capable team from national labs, industry and academia that will apply existing modeling and simulation capabilities and develop advanced capabilities to create a usable environment for predictive simulation of light water reactors (LWRs). This environment, designated as the Virtual Environment for Reactor Applications (VERA), will incorporate science-based models, state-of-the-art numerical methods, modern computational science and engineering practices, and uncertainty quantification (UQ) and validation against data from operating pressurized water reactors (PWRs). It will couple state-of-the-art fuel performance, neutronics, thermal-hydraulics (T-H), and structural models with existing tools for systems and safety analysis and will be designed for implementation on both today's leadership-class computers and the advanced architecture platforms now under development by the DOE. CASL focuses on a set of challenge problems such as CRUD induced power shift and localized corrosion, grid-to-rod fretting fuel failures, pellet clad interaction, fuel assembly distortion, etc. that encompass the key phenomena limiting the performance of PWRs. It is expected that much of the capability developed will be applicable to other types of reactors. CASL's mission is to develop and apply modeling and simulation capabilities to address three critical areas of performance for nuclear power plants: (1) reduce capital and operating costs per unit energy by enabling power uprates and plant lifetime extension, (2) reduce nuclear waste volume generated by enabling higher fuel burnup, and (3) enhance nuclear safety by enabling high-fidelity predictive capability for component performance.

  13. Effects of sulphuric acid and acidifying ammonium deposition on water quality and vegetation of simulated soft water ecosystem

    Energy Technology Data Exchange (ETDEWEB)

    Schuurkes, J.A.A.R.; Heck, I.C.C; Hesen, P.L.G.M.; Leuven, R.S.E.W.; Roelofs, J.G.M.

    1986-11-01

    In a greenhouse, seven identical mini-ecosystems, simulating soft water ponds, were exposed to different types of artificial rain water. The effects of rain water containing H/sub 2/SO/sub 4/ and nitrate, and rain water containing ammonium sulphate on water quality and vegetation were studied and compared. Causal relations were established between rain water quality, water chemistry and changes in floristic composition. Ammonium sulphate deposition, particularly, strongly affected water quality and vegetation development. Although ammonium sulphate deposition was only slightly acid, due to nitrification it acted as an important acid source, causing acidification to pH 3.8. Under acidified conditions, ammonium sulphate deposition led to a luxuriant growth of Juncus bulbosus and Agrostis canina. In the mini-ecosystems, H/sub 2/SO/sub 4/ deposition with a pH of 3.5 only decreased the pH of the water to 5.1 within 1 yr, the acidification of water appeared to be coupled with changes in alkalinity, sulphate, Al, Cd, Ca, Mg, K and inorganic-N. It is concluded that in NH/sub 3/-affected regions in The Netherlands, the high atmospheric deposition of ammonium sulphate probably contributes to a large extent in the acidification, eutrophication and floristic changes of oligotrophic soft waters. 10 references.

  14. Effects of sulphuric acid and acidifying ammonium deposition on water quality and vegetation of simulated soft water ecosystems

    Energy Technology Data Exchange (ETDEWEB)

    Schuurkes, J.A.; Heck, I.C.; Hesen, P.L.; Leuven, R.S.; Roelofs, J.G.

    1986-11-01

    In a greenhouse, seven identical mini-ecosystems, simulating soft water ponds, were exposed to different types of artificial rain water. The effects of rain water containing H/sub 2/SO/sub 4/ and nitrate, and rain water containing ammonium sulfate on water quality and vegetation were studied and compared. Causal relations were established between rain water quality, water chemistry and changes in floristic composition. Ammonium sulfate deposition, particularly, strongly affected water quality and vegetation development. Although ammonium sulfate deposition was only slightly acid, due to nitrification it acted as an important acid source, causing acidification to pH = 3.8. Under acidified conditions, ammonium sulfate deposition lead to a luxuriant growth of Juncus bulbosus and Agrostis canina. In the mini-ecosystems, H/sub 2/SO/sub 4/ deposition with a pH of 3.5 only decreased the pH of the water to 5.1 within 1 yr. The acidification of water appeared to be coupled with changes in alkalinity, sulfate, Al, Cd, Ca, Mg, K and inorganic-N. It is concluded that in NH/sub 3/-affected regions in The Netherlands, the high atmospheric deposition of ammonium sulfate probably contributes to a large extent in the acidification, eutrophication and floristic changes of oligotrophic soft waters. 10 refs.

  15. Numerical Simulation of a Solar Domestic Hot Water System

    International Nuclear Information System (INIS)

    Mongibello, L; Graditi, G; Bianco, N; Di Somma, M; Naso, V

    2014-01-01

    An innovative transient numerical model is presented for the simulation of a solar Domestic Hot Water (DHW) system. The solar collectors have been simulated by using a zerodimensional analytical model. The temperature distributions in the heat transfer fluid and in the water inside the tank have been evaluated by one-dimensional models. The reversion elimination algorithm has been used to include the effects of natural convection among the water layers at different heights in the tank on the thermal stratification. A finite difference implicit scheme has been implemented to solve the energy conservation equation in the coil heat exchanger, and the energy conservation equation in the tank has been solved by using the finite difference Euler implicit scheme. Energy conservation equations for the solar DHW components models have been coupled by means of a home-made implicit algorithm. Results of the simulation performed using as input data the experimental values of the ambient temperature and the solar irradiance in a summer day are presented and discussed

  16. Numerical Simulation of a Solar Domestic Hot Water System

    Science.gov (United States)

    Mongibello, L.; Bianco, N.; Di Somma, M.; Graditi, G.; Naso, V.

    2014-11-01

    An innovative transient numerical model is presented for the simulation of a solar Domestic Hot Water (DHW) system. The solar collectors have been simulated by using a zerodimensional analytical model. The temperature distributions in the heat transfer fluid and in the water inside the tank have been evaluated by one-dimensional models. The reversion elimination algorithm has been used to include the effects of natural convection among the water layers at different heights in the tank on the thermal stratification. A finite difference implicit scheme has been implemented to solve the energy conservation equation in the coil heat exchanger, and the energy conservation equation in the tank has been solved by using the finite difference Euler implicit scheme. Energy conservation equations for the solar DHW components models have been coupled by means of a home-made implicit algorithm. Results of the simulation performed using as input data the experimental values of the ambient temperature and the solar irradiance in a summer day are presented and discussed.

  17. Direct numerical simulation of water droplet coalescence in the oil

    International Nuclear Information System (INIS)

    Mohammadi, Mehdi; Shahhosseini, Shahrokh; Bayat, Mahmoud

    2012-01-01

    Highlights: ► VOF computational technique has been used to simulate coalescence of two water droplets in oil. ► The model was validated with the experimental data for binary droplet coalescence. ► Based on the CFD simulation results a correlation has been proposed to predict the coalescence time. - Abstract: Coalescence of two water droplets in the oil was simulated using Computational Fluid Dynamics (CFD) techniques. The finite volume numerical method was applied to solve the Navier–Stokes equations in conjunction with the Volume of Fluid (VOF) approach for interface tracking. The effects of some parameters consisting of the collision velocity, off-center collision parameter, oil viscosity and water–oil interfacial tension on the coalescence time were investigated. The simulation results were validated against the experimental data available in the literature. The results revealed that quicker coalescence could be achieved if the head-on collisions occur or the droplets approach each other with a high velocity. In addition, low oil viscosities or large water–oil interfacial tensions cause less coalescence time. Moreover, a correlation was developed to predict coalescence efficiency as a function of the mentioned parameters.

  18. Isotopic study of Karst water

    International Nuclear Information System (INIS)

    Leskovsek-Sefman, H.

    1985-01-01

    Measurement of the isotopic composition of water formed part of an extended investigation of the water drainage system in the Slovenian Karst. These studies were planned to complement geological and speleological investigations which are already being performed in this area, with the knowledge of the mechanism of changes in the isotopic composition of water in the natural environment on some smaller locations, Planina cave near Postojna where the vertical percolation of meteoric water through the karstified carbonate ceiling was studied and the water catchment areas of some small rivers, Ljubljanica, Rizana and Idrijca. Mass spectrometric investigations of the isotopic composition of some elements ( 18 O, D, 13 C and T) in water and in dissolved carbonates, as well as the isotopic composition of 18 O and 13 C in cave carbonates were performed. The results allow to conclude that the waters in karst aquifers in spite of producing the homogenisation to a great extent, qualitative determination of the retention time and of the prevailing sources for some springs and surface and underground water flows is nevertheless possible. The isotopic composition of 18 O in water and of 18 O and 13 C in dissolved carbonates depends on climatic conditions and on denudation processes. The investigation of cave carbonates revealed that they have different isotopic compositions of 18 O and 13 C because of different locations and also different ages

  19. Simulating liquid water for determining its structural and transport properties

    International Nuclear Information System (INIS)

    Arismendi-Arrieta, Daniel; Medina, Juan S.; Fanourgakis, George S.; Prosmiti, Rita; Delgado-Barrio, Gerardo

    2014-01-01

    Molecular dynamics simulations are carried out for calculating structural and transport properties of pure liquid water, such as radial distribution functions and self-diffusion and viscosity coefficients, respectively. We employed reparameterized versions of the ab initio water potential by Niesar, Clementi and Corongiu (NCC). In order to investigate the role of the electrostatic contribution, the partial charges of the NCC model are adjusted so that to reproduce the dipole moment values of the SPC/E, SPC/Fw and TIP4P/2005 water models. The single and collective transport coefficients are obtained by employing the Green–Kubo relations at various temperatures. Additionally, in order to overcome convergence difficulties arising from the long correlation times of the stress-tensor autocorrelation functions, a previously reported fitting scheme was employed. The present results indicate that there is a significant relationship between the dipole moment value of the model, and the calculated transport coefficients. We found that by adjusting the molecular dipole moment of the NCC to the value of the TIP4P/2005, the obtained values for the self-diffusion and viscosity coefficients are in better agreement with experiment, compared to the values obtained with the original NCC model. Even though the predictions of the present model exhibits an overall correct behavior, we conclude that further improvements are still required. In order to achieve that, a careful reparameterization of the repulsion–dispersion terms of the potential model is proposed. Also, the effect of the inclusion of many-body effects such as polarizability, should also be investigated. - Highlights: ► Transport properties of liquid water are important in bio-simulations. ► Self-diffusion coefficient, shear and bulk viscosities calculations from NVE molecular dynamics simulations. ► Their comparison with experimental data provides information on intermolecular forces, and serve to develop water

  20. Comparative Study on Water Impact Problem

    OpenAIRE

    Yang, Liang; Yang, Hao; Yan, Shiqiang; Ma, Qingwei; Bihnam, Maria

    2016-01-01

    This paper presents a comparative numerical study for the water impact problems due to dropping of triangular wedges or ship sections. In the numerical investigation, both the dynamic mesh technique and immersed boundary method adopting fixed Cartesian grids have been adopted in order to conform to the motion of the structure. For the former, a multiple-phase solver with the volume of fluid for identifying the free surface is implemented. In the simulation using this method, both the compress...

  1. Large-eddy simulations of unidirectional water flow over dunes

    Science.gov (United States)

    Grigoriadis, D. G. E.; Balaras, E.; Dimas, A. A.

    2009-06-01

    The unidirectional, subcritical flow over fixed dunes is studied numerically using large-eddy simulation, while the immersed boundary method is implemented to incorporate the bed geometry. Results are presented for a typical dune shape and two Reynolds numbers, Re = 17,500 and Re = 93,500, on the basis of bulk velocity and water depth. The numerical predictions of velocity statistics at the low Reynolds number are in very good agreement with available experimental data. A primary recirculation region develops downstream of the dune crest at both Reynolds numbers, while a secondary region develops at the toe of the dune crest only for the low Reynolds number. Downstream of the reattachment point, on the dune stoss, the turbulence intensity in the developing boundary layer is weaker than in comparable equilibrium boundary layers. Coherent vortical structures are identified using the fluctuating pressure field and the second invariant of the velocity gradient tensor. Vorticity is primarily generated at the dune crest in the form of spanwise "roller" structures. Roller structures dominate the flow dynamics near the crest, and are responsible for perturbing the boundary layer downstream of the reattachment point, which leads to the formation of "horseshoe" structures. Horseshoe structures dominate the near-wall dynamics after the reattachment point, do not rise to the free surface, and are distorted by the shear layer of the next crest. The occasional interaction between roller and horseshoe structures generates tube-like "kolk" structures, which rise to the free surface and persist for a long time before attenuating.

  2. Molecular Dynamics Simulations of Water Nanodroplets on Silica Surfaces

    DEFF Research Database (Denmark)

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

    2009-01-01

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

  3. Preliminary Computational Fluid Dynamics (CFD) Simulation of EIIB Push Barge in Shallow Water

    Science.gov (United States)

    Beneš, Petr; Kollárik, Róbert

    2011-12-01

    This study presents preliminary CFD simulation of EIIb push barge in inland conditions using CFD software Ansys Fluent. The RANSE (Reynolds Averaged Navier-Stokes Equation) methods are used for the viscosity solution of turbulent flow around the ship hull. Different RANSE methods are used for the comparison of their results in ship resistance calculations, for selecting the appropriate and removing inappropriate methods. This study further familiarizes on the creation of geometrical model which considers exact water depth to vessel draft ratio in shallow water conditions, grid generation, setting mathematical model in Fluent and evaluation of the simulations results.

  4. 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.

  5. 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.

  6. Study of swelling by simulation

    International Nuclear Information System (INIS)

    Gilbon, D.; Le Naour, L.; Didout, G.

    1983-06-01

    Fuel cans and hexagonal tubes containing the pins must withstand high irradiation doses (220 or even 275 dpa) with a low swelling. Qualification of a new alloy for claddings requires several years of irradiation on a reactor. For a fast first selection simulation by 1MeV electron or heavy ions enhance radiation damages. Principles of these techniques are recalled and some examples mainly with steel 316 are given. Results are compared with results obtained in reactor to determine simulation limits. The method is not valid in the case of a structural instability of the irradiated material in a reactor [fr

  7. Dynamically adaptive Lattice Boltzmann simulation of shallow water flows with the Peano framework

    KAUST Repository

    Neumann, Philipp

    2015-09-01

    © 2014 Elsevier Inc. All rights reserved. We present a dynamically adaptive Lattice Boltzmann (LB) implementation for solving the shallow water equations (SWEs). Our implementation extends an existing LB component of the Peano framework. We revise the modular design with respect to the incorporation of new simulation aspects and LB models. The basic SWE-LB implementation is validated in different breaking dam scenarios. We further provide a numerical study on stability of the MRT collision operator used in our simulations.

  8. Simulation of gamma irradiation system for a ballast water treatment

    International Nuclear Information System (INIS)

    Faez, T. P.; Sarkar, S.

    2006-01-01

    Invasion by different kinds of ballast the water microorganisms is one of the most important marine environment problems around the world therefore preventing the invasion of these unwanted and harmful stowaways is one of the main strategies of responsible agencies. Some of these methods such as ocean exchange, heating, filtration, hydro cyclones, UV irradiation and chemical treatment, have various problems such as technical deficiency, high costs, lack of safety and environmental side effects. Materials and Methods: A novel system of treatment by Gamma irradiation is designed to irradiate the blast water uniformly and effectively. To determine the dose distribution as a function of distance from the irradiation source, the MCNP code was used. The systems used for source implant in this simulation were Paterson-Parker, Paris and Network systems. In each system, Sivert-integral and inverse square law were used in MATLAB program to determine the dose distribution. Results: Results of initial laboratory tests on offshore water samples of Siri Island indicated that the appropriate dose for deactivation of organisms of water samples is approximately one kGy. It has been demonstrated that the dose can be provided by twenty five 100,000 Ci line sources of ' 60 Co in a triangle implant arranged in a 1*1*1 m3 cubic shape water pipe. In order to increase efficiency and radiation safety, water passed from two other coaxial and bigger cubes, after passing from the first cube. A one meter thick wall of concrete around the cubes was adequate to shield the system completely. Conclusion: The main advantages of this system such as high efficiency, safety, reliability, minimum environmental adverse effects, proves that this novel method not only can be used for ballast water treatment, but is also effective for drinking water purification

  9. Humans running in place on water at simulated reduced gravity.

    Directory of Open Access Journals (Sweden)

    Alberto E Minetti

    Full Text Available BACKGROUND: On Earth only a few legged species, such as water strider insects, some aquatic birds and lizards, can run on water. For most other species, including humans, this is precluded by body size and proportions, lack of appropriate appendages, and limited muscle power. However, if gravity is reduced to less than Earth's gravity, running on water should require less muscle power. Here we use a hydrodynamic model to predict the gravity levels at which humans should be able to run on water. We test these predictions in the laboratory using a reduced gravity simulator. METHODOLOGY/PRINCIPAL FINDINGS: We adapted a model equation, previously used by Glasheen and McMahon to explain the dynamics of Basilisk lizard, to predict the body mass, stride frequency and gravity necessary for a person to run on water. Progressive body-weight unloading of a person running in place on a wading pool confirmed the theoretical predictions that a person could run on water, at lunar (or lower gravity levels using relatively small rigid fins. Three-dimensional motion capture of reflective markers on major joint centers showed that humans, similarly to the Basilisk Lizard and to the Western Grebe, keep the head-trunk segment at a nearly constant height, despite the high stride frequency and the intensive locomotor effort. Trunk stabilization at a nearly constant height differentiates running on water from other, more usual human gaits. CONCLUSIONS/SIGNIFICANCE: The results showed that a hydrodynamic model of lizards running on water can also be applied to humans, despite the enormous difference in body size and morphology.

  10. A simulation-optimization model for effective water resources management in the coastal zone

    Science.gov (United States)

    Spanoudaki, Katerina; Kampanis, Nikolaos

    2015-04-01

    -diffusion equation describing the fate and transport of contaminants introduced in a 3D turbulent flow field to the partial differential equation describing the fate and transport of contaminants in 3D transient groundwater flow systems. The model has been further developed to include the effects of density variations on surface water and groundwater flow, while the already built-in solute transport capabilities are used to simulate salinity interactions. The refined model is based on the finite volume method using a cell-centred structured grid, providing thus flexibility and accuracy in simulating irregular boundary geometries. For addressing water resources management problems, simulation models are usually externally coupled with optimisation-based management models. However this usually requires a very large number of iterations between the optimisation and simulation models in order to obtain the optimal management solution. As an alternative approach, for improved computational efficiency, an Artificial Neural Network (ANN) is trained as an approximate simulator of IRENE. The trained ANN is then linked to a Genetic Algorithm (GA) based optimisation model for managing salinisation problems in the coastal zone. The linked simulation-optimisation model is applied to a hypothetical study area for performance evaluation. Acknowledgement The work presented in this paper has been funded by the Greek State Scholarships Foundation (IKY), Fellowships of Excellence for Postdoctoral Studies (Siemens Program), 'A simulation-optimization model for assessing the best practices for the protection of surface water and groundwater in the coastal zone', (2013 - 2015). References Spanoudaki, K., Stamou, A.I. and Nanou-Giannarou, A. (2009). Development and verification of a 3-D integrated surface water-groundwater model. Journal of Hydrology, 375 (3-4), 410-427. Spanoudaki, K. (2010). Integrated numerical modelling of surface water groundwater systems (in Greek). Ph.D. Thesis, National Technical

  11. The impact of cloud vertical profile on liquid water path retrieval based on the bispectral method: A theoretical study based on large-eddy simulations of shallow marine boundary layer clouds

    Science.gov (United States)

    Miller, Daniel J.; Zhang, Zhibo; Ackerman, Andrew S.; Platnick, Steven; Baum, Bryan A.

    2018-01-01

    Passive optical retrievals of cloud liquid water path (LWP), like those implemented for Moderate Resolution Imaging Spectroradiometer (MODIS), rely on cloud vertical profile assumptions to relate optical thickness (τ) and effective radius (re) retrievals to LWP. These techniques typically assume that shallow clouds are vertically homogeneous; however, an adiabatic cloud model is plausibly more realistic for shallow marine boundary layer cloud regimes. In this study a satellite retrieval simulator is used to perform MODIS-like satellite retrievals, which in turn are compared directly to the large-eddy simulation (LES) output. This satellite simulator creates a framework for rigorous quantification of the impact that vertical profile features have on LWP retrievals, and it accomplishes this while also avoiding sources of bias present in previous observational studies. The cloud vertical profiles from the LES are often more complex than either of the two standard assumptions, and the favored assumption was found to be sensitive to cloud regime (cumuliform/stratiform). Confirming previous studies, drizzle and cloud top entrainment of dry air are identified as physical features that bias LWP retrievals away from adiabatic and toward homogeneous assumptions. The mean bias induced by drizzle-influenced profiles was shown to be on the order of 5–10 g/m2. In contrast, the influence of cloud top entrainment was found to be smaller by about a factor of 2. A theoretical framework is developed to explain variability in LWP retrievals by introducing modifications to the adiabatic re profile. In addition to analyzing bispectral retrievals, we also compare results with the vertical profile sensitivity of passive polarimetric retrieval techniques. PMID:29637042

  12. The impact of cloud vertical profile on liquid water path retrieval based on the bispectral method: A theoretical study based on large-eddy simulations of shallow marine boundary layer clouds.

    Science.gov (United States)

    Miller, Daniel J; Zhang, Zhibo; Ackerman, Andrew S; Platnick, Steven; Baum, Bryan A

    2016-04-27

    Passive optical retrievals of cloud liquid water path (LWP), like those implemented for Moderate Resolution Imaging Spectroradiometer (MODIS), rely on cloud vertical profile assumptions to relate optical thickness ( τ ) and effective radius ( r e ) retrievals to LWP. These techniques typically assume that shallow clouds are vertically homogeneous; however, an adiabatic cloud model is plausibly more realistic for shallow marine boundary layer cloud regimes. In this study a satellite retrieval simulator is used to perform MODIS-like satellite retrievals, which in turn are compared directly to the large-eddy simulation (LES) output. This satellite simulator creates a framework for rigorous quantification of the impact that vertical profile features have on LWP retrievals, and it accomplishes this while also avoiding sources of bias present in previous observational studies. The cloud vertical profiles from the LES are often more complex than either of the two standard assumptions, and the favored assumption was found to be sensitive to cloud regime (cumuliform/stratiform). Confirming previous studies, drizzle and cloud top entrainment of dry air are identified as physical features that bias LWP retrievals away from adiabatic and toward homogeneous assumptions. The mean bias induced by drizzle-influenced profiles was shown to be on the order of 5-10 g/m 2 . In contrast, the influence of cloud top entrainment was found to be smaller by about a factor of 2. A theoretical framework is developed to explain variability in LWP retrievals by introducing modifications to the adiabatic r e profile. In addition to analyzing bispectral retrievals, we also compare results with the vertical profile sensitivity of passive polarimetric retrieval techniques.

  13. Hydrogeology and simulation of ground-water flow near the Lantana Landfill, Palm Beach County, Florida

    Science.gov (United States)

    Russell, G.M.; Wexler, E.J.

    1993-01-01

    The Lantana landfill in Palm Beach County has a surface that is 40 to 50 feet above original ground level and consists of about 250 acres of compacted garbage and trash. Parts of the landfill are below the water table. Surface-resistivity measurements and water-quality analyses indicate that leachate-enriched ground water along the eastern perimeter of the landfill has moved about 500 feet eastward toward an adjacent lake. Concentrations of chloride and nutrients within the leachate-enriched ground water were greater than background concentrations. The surficial aquifer system in the area of the landfill consists primarily of sand of moderate permeability, from land surface to a depth of about 68 feet deep, and consists of sand interbedded with sandstone and limestone of high permeability from a depth of about 68 feet to a depth of 200 feet. The potentiometric surface in the landfill is higher than that in adjacent areas to the east, indicating ground-water movement from the landfill toward a lake to the east. Steady-state simulation of ground-water flow was made using a telescoping-grid technique where a model covering a large area is used to determine boundaries and fluxes for a finer scale model. A regional flow model encompassing a 500-square mile area in southeastern Palm Beach County was used to calculate ground-water fluxes in a 126.5-square mile subregional area. Boundary fluxes calculated by the subregional model were then used to calculate boundary fluxes for a local model of the 3.75-square mile area representing the Lantana landfill site and vicinity. Input data required for simulating ground-water flow in the study area were obtained from the regional flow models, thus, effectively coupling the models. Additional simulations were made using the local flow model to predict effects of possible remedial actions on the movement of solutes in the ground-water system. Possible remedial actions simulated included capping the landfill with an impermeable layer

  14. Simulation of Water Gas Shift Zeolite Membrane Reactor

    Science.gov (United States)

    Makertiharta, I. G. B. N.; Rizki, Z.; Zunita, Megawati; Dharmawijaya, P. T.

    2017-07-01

    The search of alternative energy sources keeps growing from time to time. Various alternatives have been introduced to reduce the use of fossil fuel, including hydrogen. Many pathways can be used to produce hydrogen. Among all of those, the Water Gas Shift (WGS) reaction is the most common pathway to produce high purity hydrogen. The WGS technique faces a downstream processing challenge due to the removal hydrogen from the product stream itself since it contains a mixture of hydrogen, carbon dioxide and also the excess reactants. An integrated process using zeolite membrane reactor has been introduced to improve the performance of the process by selectively separate the hydrogen whilst boosting the conversion. Furthermore, the zeolite membrane reactor can be further improved via optimizing the process condition. This paper discusses the simulation of Zeolite Membrane Water Gas Shift Reactor (ZMWGSR) with variation of process condition to achieve an optimum performance. The simulation can be simulated into two consecutive mechanisms, the reaction prior to the permeation of gases through the zeolite membrane. This paper is focused on the optimization of the process parameters (e.g. temperature, initial concentration) and also membrane properties (e.g. pore size) to achieve an optimum product specification (concentration, purity).

  15. Simulation of Integrated Qualitative and Quantitative Allocation of Surafce and Underground Water Resources to Drinking Water Demand in Mashhad

    Directory of Open Access Journals (Sweden)

    Mansoureh Atashi

    2015-12-01

    Full Text Available Despite the fact that both surface and groundwater resources inside and outside the city of Mashhad have been already exploited to their maximum capacity and that the large water transfer Doosti Dam Project has been already implemented to transfer a considerable quanity of water to Mashhad, the city will be encountering a daily water shortage of about 1.7 m3/s by 2021. The problem would be even worse if the quality of the water resources are taken into account, in which case, the shortage would start even sooner in 2011 when the water deficit will be about 0.9 m3/s. As a result, it is essential to develop short- and medium-term strategies for secure adequate water supplies for the city's domestic water demand. The present study aims to carry out a qualitative and quantitative modeling of surface and groundwater resources supplying Mashhad domestic water. The qualitative model is based on the quality indices of surface and groundwater resources according to which the resources are classified in the three quality categories of resources with no limitation, those with moderate limitations, and those with high limitations for use as domestic water supplies. The pressure zones are then examined with respect to the potable water demand and supply to be simulated in the MODSIM environment. The model thus developed is verified for the 2012 data based on the measures affecting water resources in the region and various scenarios are finally evaluated for a long-term 30-year period. Results show that the peak hourdaily water shortage in 2042for the zone supplied from no limitation resources will be 38%. However, this value will drop to 28% if limitations due to resource quality are also taken into account. Finally, dilution is suggested as a solution for exploiting the maximum quantitative and qualitative potential of the resources used as domestic water supplies. In this situation, the daily peak hour water shortage will be equal to 31%.

  16. Molecular dynamics simulations of radon accumulation in water and oil

    Energy Technology Data Exchange (ETDEWEB)

    Pafong, Elvira; Drossel, Barbara [Institut fuer Festkoerperphysik, Technische Universitaet Darmstadt (Germany)

    2016-07-01

    Radon is a radioactive gas that can enter the human body from air or from ground water. Radon can accumulate to levels that considerably rise the risk of lung cancer while it is also known as a a treatment of various ailments, most notably rheumatoid arthritis. The accumulation of radon differs between tissues, with particularly high concentrations in fatty cells. In order to understand the mechanisms responsible for the different solubility of radon in water and fat, we perform molecular dynamics simulations of radon gas at ambient conditions in contact with a bulk material consisting either of water or oil. We evaluate the diffusion coefficient of radon in both media as well as the equilibrium concentration. The crucial point here is to understand the hydrophobic interaction between water and radon as compared to the dispersive interaction between radon and oil. Therefore, we artificially vary the water charges (i.e., the hydrophobicity) as well as the parameters of the van-der-Waals interaction.

  17. NH4(+) Resides Inside the Water 20-mer Cage As Opposed to H3O(+), Which Resides on the Surface: A First Principles Molecular Dynamics Simulation Study.

    Science.gov (United States)

    Willow, Soohaeng Yoo; Singh, N Jiten; Kim, Kwang S

    2011-11-08

    Experimental vibrational predissociation spectra of the magic NH4(+)(H2O)20 clusters are close to those of the magic H3O(+)(H2O)20 clusters. It has been assumed that the geometric features of NH4(+)(H2O)20 clusters might be close to those of H3O(+)(H2O)20 clusters, in which H3O(+) resides on the surface. Car-Parrinello molecular dynamics simulations in conjunction with density functional theory calculations are performed to generate the infrared spectra of the magic NH4(+)(H2O)20 clusters. In comparison with the experimental vibrational predissociation spectra of NH4(+)(H2O)20, we find that NH4(+) is inside the cage structure of NH4(+)(H2O)20 as opposed to on the surface structure. This shows a clear distinction between the structures of NH4(+)(H2O)20 and H3O(+)(H2O)20 as well as between the hydration phenomena of NH4(+) and H3O(+).

  18. Simulation of root water uptake. II. Non-uniform transient water stress using different reduction functions

    NARCIS (Netherlands)

    Homaee, M.; Feddes, R.A.; Dirksen, C.

    2002-01-01

    The macroscopic root water uptake approach was used in the numerical simulation model HYSWASOR to test four different pressure head-dependent reduction functions. The input parameter values were obtained from the literature and derived from extensive measurements under controlled conditions in the

  19. 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.

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

    Science.gov (United States)

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

    2016-01-01

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

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

    Science.gov (United States)

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

    2016-04-01

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

  2. Modeling and simulation of pressurized water reactor power plant

    International Nuclear Information System (INIS)

    Wang, S.J.

    1983-01-01

    Two kinds of balance of plant (BOP) models of a pressurized water reactor (PWR) system are developed in this work - the detailed BOP model and the simple BOP model. The detailed model is used to simulate the normal operational performance of a whole BOP system. The simple model is used to combine with the NSSS model for a whole plant simulation. The trends of the steady state values of the detailed model are correct and the dynamic responses are reasonable. The simple BOP model approach starts the modelling work from the overall point of view. The response of the normalized turbine power and the feedwater inlet temperature to the steam generator of the simple model are compared with those of the detailed model. Both the steady state values and the dynamic responses are close to those of the detailed model. The simple BOP model is found adequate to represent the main performance of the BOP system. The simple balance of plant model was coupled with a NSSS model for a whole plant simulation. The NSSS model consists of the reactor core model, the steam generator model, and the coolant temperature control system. A closed loop whole plant simulation for an electric load perturbation was performed. The results are plausible. The coupling effect between the NSSS system and the BOP system was analyzed. The feedback of the BOP system has little effect on the steam generator performance, while the performance of the BOP system is strongly affected by the steam flow rate from the NSSS

  3. Computer code for simulating pressurized water reactor core

    International Nuclear Information System (INIS)

    Serrano, A.M.B.

    1978-01-01

    A computer code was developed for the simulation of the steady-state and transient behaviour of the average channel of a Pressurizer Water Reactor core. Point kinetics equations were used with the reactivity calculated for average temperatures in the channel with the fuel and moderator temperature feedbacks. The radial heat conduction equation in the fuel was solved numerically. For calculating the thermodynamic properties of the coolant, the fundamental equations of conservation (mass, energy and momentum) were solved. The gap and clad were treated as a resistance added to the film coefficient. The fuel system equations were decoupled from the coolant equations. The program permitted the changes in the heat transfer correlations and the flow patterns along the coolant channel. Various test were performed to determine the steady-state and transient response employing the PWR core simulator developed, obtaining results with adequate precision. (author)

  4. Code for the core simulation in pressurized water reactors

    International Nuclear Information System (INIS)

    Serrano, M.A.B.

    1978-08-01

    A computer code was developed for the simulation of the steady-state and transient behaviour of the average channel of a Pressurizer Water Reactor core. Point kinetics equations were used with the reactivity calculated for average temperatures in the channel with the fuel and moderator temperature feedbacks. The radial heat conduction equation in the fuel was solved numericaly. For calculating the thermodynamic properties of the coolant, the fundamental equations of conservation (mass, energy and momentum) were solved. The gap and clad were treated as a resistence added to the film coeficient. The fuel system equations were decoupled from the coolant equations. The program permitted the changes in the heat transfer correlations and the flow patterns along the coolant channel. Various test were performed to determine the steady-state and transient response employing the PWR core simulator developed, obtaining results with adequate precision. (Author) [pt

  5. Transient Simulations of Gas-Oil-Water Separation Plants

    Directory of Open Access Journals (Sweden)

    Tor S. Schei

    1991-01-01

    Full Text Available A set of mathematical models for the dynamic simulation of offshore processing plants is developed. Each process unit is modeled separately, and the various models are integrated into a system for the simulation of an entire plant. The purpose of the simulation system is to study the effects of various disturbances and investigate appropriate control strategies. Important variables subject to control are pressure, flow rate, temperature, vessel liquid level and compressor speed. In separators the rate of interfacial mass transfer between the liquid and vapour phases at non-equilibrium is modeled as a first order time lag. The vapour liquid equilibrium ratio is linearized with respect to variations in pressure and temperature for each separator stage. A realistic scenario is chosen in order to demonstrate the capabilities of the simulation system.

  6. Simulation of ground-water flow in the St. Peter aquifer in an area contaminated by coal-tar derivatives, St. Louis Park, Minnesota. Water Resources Investigation

    International Nuclear Information System (INIS)

    Lorenz, D.L.; Stark, J.R.

    1990-01-01

    A model constructed to simulate ground-water flow in part of the Prairie du Chien-Jordan and St. Peter aquifers, St. Louis Park, Minnesota, was used to test hypotheses about the movement of ground water contaminated with coal-tar derivatives and to simulate alternatives for reducing the downgradient movement of contamination in the St. Peter aquifer. The model, constructed for a previous study, was applied to simulate the effects of current ground-water withdrawals on the potentiometric surface of the St. Peter aquifer. Model simulations predict that the multiaquifer wells have the potential to limit downgradient migration of contaminants in the St. Peter aquifer caused by cones of depression created around the multiaquifer wells. Differences in vertical leakage to the St. Peter aquifer may exist in areas of bedrock valleys. Model simulations indicate that these differences are not likely to affect significantly the general patterns of ground-water flow

  7. Electrochemistry of lead in simulated ground water environments

    International Nuclear Information System (INIS)

    Joerg, E.A.; Devereux, O.F.

    1996-01-01

    Lead and lead alloys are used commonly as moisture barriers for underground cables. Lead exhibits excellent corrosion resistance in a variety of environments, but areas of localized attack have been found. These can result in able failures. The susceptibility of lead to pitting in several simulated ground water (SGW) environments was assessed using cyclic potentiodynamic pitting scans (PPS) and microscopy. Although general corrosion was observed, PPS demonstrated pitting did not occur in the same sense as in alloys known to be susceptible to pitting (i.e., very localized pit formation without general corrosion). However, areas of nonuniform general attack did occur, resulting in pitted surface morphologies

  8. Operations planning simulation: Model study

    Science.gov (United States)

    1974-01-01

    The use of simulation modeling for the identification of system sensitivities to internal and external forces and variables is discussed. The technique provides a means of exploring alternate system procedures and processes, so that these alternatives may be considered on a mutually comparative basis permitting the selection of a mode or modes of operation which have potential advantages to the system user and the operator. These advantages are measurements is system efficiency are: (1) the ability to meet specific schedules for operations, mission or mission readiness requirements or performance standards and (2) to accomplish the objectives within cost effective limits.

  9. Simulation of Water Environmental Capacity and Pollution Load Reduction Using QUAL2K for Water Environmental Management

    Science.gov (United States)

    Zhang, Ruibin; Qian, Xin; Yuan, Xingcheng; Ye, Rui; Xia, Bisheng; Wang, Yulei

    2012-01-01

    In recent years, water quality degradation associated with rapid socio-economic development in the Taihu Lake Basin, China, has attracted increasing attention from both the public and the Chinese government. The primary sources of pollution in Taihu Lake are its inflow rivers and their tributaries. Effective water environmental management strategies need to be implemented in these rivers to improve the water quality of Taihu Lake, and to ensure sustainable development in the region. The aim of this study was to provide a basis for water environmental management decision-making. In this study, the QUAL2K model for river and stream water quality was applied to predict the water quality and environmental capacity of the Hongqi River, which is a polluted tributary in the Taihu Lake Basin. The model parameters were calibrated by trial and error until the simulated results agreed well with the observed data. The calibrated QUAL2K model was used to calculate the water environmental capacity of the Hongqi River, and the water environmental capacities of CODCr NH3-N, TN, and TP were 17.51 t, 1.52 t, 2.74 t and 0.37 t, respectively. The results showed that the NH3-N, TN, and TP pollution loads of the studied river need to be reduced by 50.96%, 44.11%, and 22.92%, respectively to satisfy the water quality objectives. Thus, additional water pollution control measures are needed to control and reduce the pollution loads in the Hongqi River watershed. The method applied in this study should provide a basis for water environmental management decision-making. PMID:23222206

  10. Simulation of water environmental capacity and pollution load reduction using QUAL2K for water environmental management.

    Science.gov (United States)

    Zhang, Ruibin; Qian, Xin; Yuan, Xingcheng; Ye, Rui; Xia, Bisheng; Wang, Yulei

    2012-12-07

    In recent years, water quality degradation associated with rapid socio-economic development in the Taihu Lake Basin, China, has attracted increasing attention from both the public and the Chinese government. The primary sources of pollution in Taihu Lake are its inflow rivers and their tributaries. Effective water environmental management strategies need to be implemented in these rivers to improve the water quality of Taihu Lake, and to ensure sustainable development in the region. The aim of this study was to provide a basis for water environmental management decision-making. In this study, the QUAL2K model for river and stream water quality was applied to predict the water quality and environmental capacity of the Hongqi River, which is a polluted tributary in the Taihu Lake Basin. The model parameters were calibrated by trial and error until the simulated results agreed well with the observed data. The calibrated QUAL2K model was used to calculate the water environmental capacity of the Hongqi River, and the water environmental capacities of COD(Cr) NH(3)-N, TN, and TP were 17.51 t, 1.52 t, 2.74 t and 0.37 t, respectively. The results showed that the NH(3)-N, TN, and TP pollution loads of the studied river need to be reduced by 50.96%, 44.11%, and 22.92%, respectively to satisfy the water quality objectives. Thus, additional water pollution control measures are needed to control and reduce the pollution loads in the Hongqi River watershed. The method applied in this study should provide a basis for water environmental management decision-making.

  11. Simulation of Water Environmental Capacity and Pollution Load Reduction Using QUAL2K for Water Environmental Management

    Directory of Open Access Journals (Sweden)

    Yulei Wang

    2012-12-01

    Full Text Available In recent years, water quality degradation associated with rapid socio-economic development in the Taihu Lake Basin, China, has attracted increasing attention from both the public and the Chinese government. The primary sources of pollution in Taihu Lake are its inflow rivers and their tributaries. Effective water environmental management strategies need to be implemented in these rivers to improve the water quality of Taihu Lake, and to ensure sustainable development in the region. The aim of this study was to provide a basis for water environmental management decision-making. In this study, the QUAL2K model for river and stream water quality was applied to predict the water quality and environmental capacity of the Hongqi River, which is a polluted tributary in the Taihu Lake Basin. The model parameters were calibrated by trial and error until the simulated results agreed well with the observed data. The calibrated QUAL2K model was used to calculate the water environmental capacity of the Hongqi River, and the water environmental capacities of CODCr NH3-N, TN, and TP were 17.51 t, 1.52 t, 2.74 t and 0.37 t, respectively. The results showed that the NH3-N, TN, and TP pollution loads of the studied river need to be reduced by 50.96%, 44.11%, and 22.92%, respectively to satisfy the water quality objectives. Thus, additional water pollution control measures are needed to control and reduce the pollution loads in the Hongqi River watershed. The method applied in this study should provide a basis for water environmental management decision-making.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-04-18

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

  13. Effect of arsenic on nitrification of simulated mining water.

    Science.gov (United States)

    Papirio, S; Zou, G; Ylinen, A; Di Capua, F; Pirozzi, F; Puhakka, J A

    2014-07-01

    Mining and mineral processing of gold-bearing ores often release arsenic to the environment. Ammonium is released when N-based explosives or cyanide are used. Nitrification of simulated As-rich mining waters was investigated in batch bioassays using nitrifying cultures enriched in a fluidized-bed reactor (FBR). Nitrification was maintained at 100mg AsTOT/L. In batch assays, ammonium was totally oxidized by the FBR enrichment in 48 h. As(III) oxidation to As(V) occurred during the first 3h attenuating arsenic toxicity to nitrification. At 150 and 200mg AsTOT/L, nitrification was inhibited by 25%. Candidatus Nitrospira defluvii and other nitrifying species mainly colonized the FBR. In conclusion, the FBR enriched cultures of municipal activated sludge origins tolerated high As concentrations making nitrification a potent process for mining water treatment. Copyright © 2014 Elsevier Ltd. All rights reserved.

  14. Primary biodegradation of veterinary antibiotics in aerobic and anaerobic surface water simulation systems

    DEFF Research Database (Denmark)

    Ingerslev, Flemming; Toräng, Lars; Loke, M.-L.

    2001-01-01

    The primary aerobic and anaerobic biodegradability at intermediate concentrations (50-5000 mug/l) of the antibiotics olaquindox (OLA), metronidazole (MET), tylosin (TYL) and oxytetracycline (OTC) was studied in a simple shake flask system simulating the conditions in surface waters. The purpose...

  15. Numerical simulation of runoff from extreme rainfall events in a mountain water catchment

    Directory of Open Access Journals (Sweden)

    J. Burguete

    2002-01-01

    Full Text Available A numerical model for unsteady shallow water flow over initially dry areas is applied to a case study in a small drainage area at the Spanish Ebro River basin. Several flood mitigation measures (reforestation, construction of a small reservoir and channelization are simulated in the model in order to compare different extreme rainfall-runoff scenarios.

  16. Speciation studies of cobalt in sea water

    International Nuclear Information System (INIS)

    Toteja, R.S.D.; Sudersanan, M.; Iyer, R.K.

    1995-01-01

    Recent results on the speciation of cobalt in simulated and actual sea water is reported using ion exchangers. The influence of magnesium ions in affecting the composition of ion exchangers and subsequent interpretation of the results is discussed. The results indicated that Co +2 may predominate in both the simulated and actual sea water and the presence of other constituents in sea water does not affect the nature of complex species present. (author). 2 refs., 3 tabs., 1 fig

  17. 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

  18. The Silica-Water Interface from the Analysis of Molecular Dynamic Simulations

    KAUST Repository

    Lardhi, Sheikha F.

    2013-05-01

    Surface chemistry is an emerging field that can give detailed insight about the elec- tronic properties and the interaction of complex material surfaces with their neigh- bors. This is for both solid-solid and solid-liquid interfaces. Among the latter class, the silica-water interface plays a major role in nature. Silica is among the most abundant materials on earth, as well in advanced technological applications such as catalysis and nanotechnology. This immediately indicates the relevance of a detailed understanding of the silica-water interface. In this study, we investigate the details of this interaction at microscopic level by analyzing trajectories obtained with ab initio molecular dynamic simulations. The system we consider consists of bulk liquid water confined between two β-cristobalite silica surfaces. The molecular dynamics were generated with the CP2K, an ab initio molecular dynamic simulation tool. The simulations are 25 picoseconds long, and the CP2K program was run on 64 cores on a supercomputer cluster. During the simulations the program integrates Newton’s equations of motion for the system and generates the trajectory for analysis. For analysis, we focused on the following properties that characterize the silica water interface. We calculated the density profile of the water layers from the silica surface, and we also calculated the radial distribution function (RDF) of the hydrogen bond at the silanols on the silica surface. The main focus of this thesis is to write the programs for calculating the atom density profile and the RDF from the generated MD trajectories. The atomic probability density profile shows that water is strongly adsorbed on the (001) cristobalite surface, while the RDF indicates differently ad- sorbed water molecules in the first adsorption layer. As final remark, the protocol and the tools developed in this thesis can be applied to the study of basically any crystal-water interface.

  19. Field Test Design Simulations of Pore-Water Extraction for the SX Tank Farm

    Energy Technology Data Exchange (ETDEWEB)

    Truex, Michael J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Oostrom, Martinus [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2013-09-01

    A proof of principle test of pore water extraction is being performed by Washington River Protection Solutions for the U.S. Department of Energy, Office of River Protection. This test is being conducted to meet the requirements of Hanford Federal Facility Agreement and Consent Order (HFFACO) (Ecology et al. 1989) Milestone M 045-20, and is described in RPP-PLAN-53808, 200 West Area Tank Farms Interim Measures Investigation Work Plan. To support design of this test, numerical simulations were conducted to help define equipment and operational parameters. The modeling effort builds from information collected in laboratory studies and from field characterization information collected at the test site near the Hanford Site 241-SX Tank Farm. Numerical simulations were used to evaluate pore-water extraction performance as a function of the test site properties and for the type of extraction well configuration that can be constructed using the direct-push installation technique. Output of simulations included rates of water and soil-gas production as a function of operational conditions for use in supporting field equipment design. The simulations also investigated the impact of subsurface heterogeneities in sediment properties and moisture distribution on pore-water extraction performance. Phenomena near the extraction well were also investigated because of their importance for pore-water extraction performance.

  20. Integrated hydraulic and organophosphate pesticide injection simulations for enhancing event detection in water distribution systems.

    Science.gov (United States)

    Schwartz, Rafi; Lahav, Ori; Ostfeld, Avi

    2014-10-15

    As a complementary step towards solving the general event detection problem of water distribution systems, injection of the organophosphate pesticides, chlorpyrifos (CP) and parathion (PA), were simulated at various locations within example networks and hydraulic parameters were calculated over 24-h duration. The uniqueness of this study is that the chemical reactions and byproducts of the contaminants' oxidation were also simulated, as well as other indicative water quality parameters such as alkalinity, acidity, pH and the total concentration of free chlorine species. The information on the change in water quality parameters induced by the contaminant injection may facilitate on-line detection of an actual event involving this specific substance and pave the way to development of a generic methodology for detecting events involving introduction of pesticides into water distribution systems. Simulation of the contaminant injection was performed at several nodes within two different networks. For each injection, concentrations of the relevant contaminants' mother and daughter species, free chlorine species and water quality parameters, were simulated at nodes downstream of the injection location. The results indicate that injection of these substances can be detected at certain conditions by a very rapid drop in Cl2, functioning as the indicative parameter, as well as a drop in alkalinity concentration and a small decrease in pH, both functioning as supporting parameters, whose usage may reduce false positive alarms. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. Dual-energy mammography: simulation studies

    International Nuclear Information System (INIS)

    Bliznakova, K; Kolitsi, Z; Pallikarakis, N

    2006-01-01

    This paper presents a mammography simulator and demonstrates its applicability in feasibility studies in dual-energy (DE) subtraction mammography. This mammography simulator is an evolution of a previously presented x-ray imaging simulation system, which has been extended with new functionalities that are specific for DE simulations. The new features include incident exposure and dose calculations, the implementation of a DE subtraction algorithm as well as amendments to the detector and source modelling. The system was then verified by simulating experiments and comparing their results against published data. The simulator was used to carry out a feasibility study of the applicability of DE techniques in mammography, and more precisely to examine whether this modality could result in better visualization and detection of microcalcifications. Investigations were carried out using a 3D breast software phantom of average thickness, monoenergetic and polyenergetic beam spectra and various detector configurations. Dual-shot techniques were simulated. Results showed the advantage of using monoenergetic in comparison with polyenergetic beams. Optimization studies with monochromatic sources were carried out to obtain the optimal low and high incident energies, based on the assessment of the figure of merit of the simulated microcalcifications in the subtracted images. The results of the simulation study with the optimal energies demonstrated that the use of the DE technique can improve visualization and increase detectability, allowing identification of microcalcifications of sizes as small as 200 μm. The quantitative results are also verified by means of a visual inspection of the synthetic images

  2. Simulation of the water-table altitude in the Biscayne Aquifer, southern Dade County, Florida, water years 1945-89

    Science.gov (United States)

    Merritt, M.L.

    1995-01-01

    A digital model of the flow system in the highly permeable surficial aquifer of southern Dade County, Florida, was constructed for the purposes of better understanding processes that influence the flow system and of supporting the construction of a subregional model of the transport of brackish water from a flowing artesian well. Problems that needed resolution in this endeavor included the development of methods to represent the influence of flowing surface water in seasonally inundated wetlands and the influence of a network of controlled canals developed in stages during the simulation time period (water years 1945-89). An additional problem was the general lack of natural aquifer boundaries near the boundaries of the study area. The model construction was based on a conceptual description of the Biscayne aquifer developed from the results of previous U.S. Geological Survey investigations. Modifications were made to an existing three- dimensional finite-difference simulator of ground- water flow to enable an upper layer of the grid to represent seasonally occurring overland sheetflow in a series of transient simulations of water levels from 1945 to 1989. A rewetting procedure was developed for the simulator that permitted resaturation of cells in this layer when the wet season recurred. An "equivalent hydraulic conductivity" coefficient was assigned to the overland flow layer that was analogous, subject to various approximations, to the use of the Manning equation. The surficial semiconfining peat and marl layers, levees, canals, and control structures were also represented as part of the model grid with the appropriate choices of hydraulic coefficient values. For most of the Biscayne aquifer grid cells, the value assigned to hydraulic conductivity for model calibration was 30,000 feet per day and the value assigned to porosity was 20 percent. Boundary conditions were specified near data sites having long-term records of surface-water stages or water

  3. Water Quality Assessment Simulation Program (WASP8): Upgrades to the Advanced Toxicant Module for Simulating Dissolved Chemicals, Nanomaterials, and Solids

    Science.gov (United States)

    The Water Quality Analysis Simulation Program (WASP) is a dynamic, spatially-resolved, differential mass balance fate and transport modeling framework. WASP is used to develop models to simulate concentrations of environmental contaminants in surface waters and sediments. As a mo...

  4. Development of EEM based silicon–water and silica–water wall potentials for non-reactive molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Junghan; Iype, Eldhose; Frijns, Arjan J.H.; Nedea, Silvia V.; Steenhoven, Anton A. van

    2014-07-01

    Molecular dynamics simulations of heat transfer in gases are computationally expensive when the wall molecules are explicitly modeled. To save computational time, an implicit boundary function is often used. Steele's potential has been used in studies of fluid–solid interface for a long time. In this work, the conceptual idea of Steele's potential was extended in order to simulate water–silicon and water–silica interfaces. A new wall potential model is developed by using the electronegativity-equalization method (EEM), a ReaxFF empirical force field and a non-reactive molecular dynamics package PumMa. Contact angle simulations were performed in order to validate the wall potential model. Contact angle simulations with the resulting tabulated wall potentials gave a silicon–water contact angle of 129°, a quartz–water contact angle of 0°, and a cristobalite–water contact angle of 40°, which are in reasonable agreement with experimental values.

  5. Modifying a dynamic global vegetation model for simulating large spatial scale land surface water balance

    Science.gov (United States)

    Tang, G.; Bartlein, P. J.

    2012-01-01

    Water balance models of simple structure are easier to grasp and more clearly connect cause and effect than models of complex structure. Such models are essential for studying large spatial scale land surface water balance in the context of climate and land cover change, both natural and anthropogenic. This study aims to (i) develop a large spatial scale water balance model by modifying a dynamic global vegetation model (DGVM), and (ii) test the model's performance in simulating actual evapotranspiration (ET), soil moisture and surface runoff for the coterminous United States (US). Toward these ends, we first introduced development of the "LPJ-Hydrology" (LH) model by incorporating satellite-based land covers into the Lund-Potsdam-Jena (LPJ) DGVM instead of dynamically simulating them. We then ran LH using historical (1982-2006) climate data and satellite-based land covers at 2.5 arc-min grid cells. The simulated ET, soil moisture and surface runoff were compared to existing sets of observed or simulated data for the US. The results indicated that LH captures well the variation of monthly actual ET (R2 = 0.61, p 0.46, p 0.52) with observed values over the years 1982-2006, respectively. The modeled spatial patterns of annual ET and surface runoff are in accordance with previously published data. Compared to its predecessor, LH simulates better monthly stream flow in winter and early spring by incorporating effects of solar radiation on snowmelt. Overall, this study proves the feasibility of incorporating satellite-based land-covers into a DGVM for simulating large spatial scale land surface water balance. LH developed in this study should be a useful tool for studying effects of climate and land cover change on land surface hydrology at large spatial scales.

  6. Turbulence modeling for Francis turbine water passages simulation

    International Nuclear Information System (INIS)

    Maruzewski, P; Munch, C; Mombelli, H P; Avellan, F; Hayashi, H; Yamaishi, K; Hashii, T; Sugow, Y

    2010-01-01

    The applications of Computational Fluid Dynamics, CFD, to hydraulic machines life require the ability to handle turbulent flows and to take into account the effects of turbulence on the mean flow. Nowadays, Direct Numerical Simulation, DNS, is still not a good candidate for hydraulic machines simulations due to an expensive computational time consuming. Large Eddy Simulation, LES, even, is of the same category of DNS, could be an alternative whereby only the small scale turbulent fluctuations are modeled and the larger scale fluctuations are computed directly. Nevertheless, the Reynolds-Averaged Navier-Stokes, RANS, model have become the widespread standard base for numerous hydraulic machine design procedures. However, for many applications involving wall-bounded flows and attached boundary layers, various hybrid combinations of LES and RANS are being considered, such as Detached Eddy Simulation, DES, whereby the RANS approximation is kept in the regions where the boundary layers are attached to the solid walls. Furthermore, the accuracy of CFD simulations is highly dependent on the grid quality, in terms of grid uniformity in complex configurations. Moreover any successful structured and unstructured CFD codes have to offer a wide range to the variety of classic RANS model to hybrid complex model. The aim of this study is to compare the behavior of turbulent simulations for both structured and unstructured grids topology with two different CFD codes which used the same Francis turbine. Hence, the study is intended to outline the encountered discrepancy for predicting the wake of turbine blades by using either the standard k-ε model, or the standard k-ε model or the SST shear stress model in a steady CFD simulation. Finally, comparisons are made with experimental data from the EPFL Laboratory for Hydraulic Machines reduced scale model measurements.

  7. Turbulence modeling for Francis turbine water passages simulation

    Energy Technology Data Exchange (ETDEWEB)

    Maruzewski, P; Munch, C; Mombelli, H P; Avellan, F [Ecole polytechnique federale de Lausanne, Laboratory of Hydraulic Machines Avenue de Cour 33 bis, CH-1007 Lausanne (Switzerland); Hayashi, H; Yamaishi, K; Hashii, T; Sugow, Y, E-mail: pierre.maruzewski@epfl.c [Nippon KOEI Power Systems, 1-22 Doukyu, Aza, Morijyuku, Sukagawa, Fukushima Pref. 962-8508 (Japan)

    2010-08-15

    The applications of Computational Fluid Dynamics, CFD, to hydraulic machines life require the ability to handle turbulent flows and to take into account the effects of turbulence on the mean flow. Nowadays, Direct Numerical Simulation, DNS, is still not a good candidate for hydraulic machines simulations due to an expensive computational time consuming. Large Eddy Simulation, LES, even, is of the same category of DNS, could be an alternative whereby only the small scale turbulent fluctuations are modeled and the larger scale fluctuations are computed directly. Nevertheless, the Reynolds-Averaged Navier-Stokes, RANS, model have become the widespread standard base for numerous hydraulic machine design procedures. However, for many applications involving wall-bounded flows and attached boundary layers, various hybrid combinations of LES and RANS are being considered, such as Detached Eddy Simulation, DES, whereby the RANS approximation is kept in the regions where the boundary layers are attached to the solid walls. Furthermore, the accuracy of CFD simulations is highly dependent on the grid quality, in terms of grid uniformity in complex configurations. Moreover any successful structured and unstructured CFD codes have to offer a wide range to the variety of classic RANS model to hybrid complex model. The aim of this study is to compare the behavior of turbulent simulations for both structured and unstructured grids topology with two different CFD codes which used the same Francis turbine. Hence, the study is intended to outline the encountered discrepancy for predicting the wake of turbine blades by using either the standard k-{epsilon} model, or the standard k-{epsilon} model or the SST shear stress model in a steady CFD simulation. Finally, comparisons are made with experimental data from the EPFL Laboratory for Hydraulic Machines reduced scale model measurements.

  8. Turbulence modeling for Francis turbine water passages simulation

    Science.gov (United States)

    Maruzewski, P.; Hayashi, H.; Munch, C.; Yamaishi, K.; Hashii, T.; Mombelli, H. P.; Sugow, Y.; Avellan, F.

    2010-08-01

    The applications of Computational Fluid Dynamics, CFD, to hydraulic machines life require the ability to handle turbulent flows and to take into account the effects of turbulence on the mean flow. Nowadays, Direct Numerical Simulation, DNS, is still not a good candidate for hydraulic machines simulations due to an expensive computational time consuming. Large Eddy Simulation, LES, even, is of the same category of DNS, could be an alternative whereby only the small scale turbulent fluctuations are modeled and the larger scale fluctuations are computed directly. Nevertheless, the Reynolds-Averaged Navier-Stokes, RANS, model have become the widespread standard base for numerous hydraulic machine design procedures. However, for many applications involving wall-bounded flows and attached boundary layers, various hybrid combinations of LES and RANS are being considered, such as Detached Eddy Simulation, DES, whereby the RANS approximation is kept in the regions where the boundary layers are attached to the solid walls. Furthermore, the accuracy of CFD simulations is highly dependent on the grid quality, in terms of grid uniformity in complex configurations. Moreover any successful structured and unstructured CFD codes have to offer a wide range to the variety of classic RANS model to hybrid complex model. The aim of this study is to compare the behavior of turbulent simulations for both structured and unstructured grids topology with two different CFD codes which used the same Francis turbine. Hence, the study is intended to outline the encountered discrepancy for predicting the wake of turbine blades by using either the standard k-epsilon model, or the standard k-epsilon model or the SST shear stress model in a steady CFD simulation. Finally, comparisons are made with experimental data from the EPFL Laboratory for Hydraulic Machines reduced scale model measurements.

  9. Comparison of simulations of land-use specific water demand and irrigation water supply by MF-FMP and IWFM

    Science.gov (United States)

    Schmid, Wolfgang; Dogural, Emin; Hanson, Randall T.; Kadir, Tariq; Chung, Francis

    2011-01-01

    Two hydrologic models, MODFLOW with the Farm Process (MF-FMP) and the Integrated Water Flow Model (IWFM), are compared with respect to each model’s capabilities of simulating land-use hydrologic processes, surface-water routing, and groundwater flow. Of major concern among the land-use processes was the consumption of water through evaporation and transpiration by plants. The comparison of MF-FMP and IWFM was conducted and completed using a realistic hypothetical case study. Both models simulate the water demand for water-accounting units resulting from evapotranspiration and inefficiency losses and, for irrigated units, the supply from surface-water deliveries and groundwater pumpage. The MF-FMP simulates reductions in evapotranspiration owing to anoxia and wilting, and separately considers land-use-related evaporation and transpiration; IWFM simulates reductions in evapotranspiration related to the depletion of soil moisture. The models simulate inefficiency losses from precipitation and irrigation water applications to runoff and deep percolation differently. MF-FMP calculates the crop irrigation requirement and total farm delivery requirement, and then subtracts inefficiency losses from runoff and deep percolation. In IWFM, inefficiency losses to surface runoff from irrigation and precipitation are computed and subtracted from the total irrigation and precipitation before the crop irrigation requirement is estimated. Inefficiency losses in terms of deep percolation are computed simultaneously with the crop irrigation requirement. The seepage from streamflow routing also is computed differently and can affect certain hydrologic settings and magnitudes ofstreamflow infiltration. MF-FMP assumes steady-state conditions in the root zone; therefore, changes in soil moisture within the root zone are not calculated. IWFM simulates changes in the root zone in both irrigated and non-irrigated natural vegetation. Changes in soil moisture are more significant for non

  10. Molecular simulation of the water-triolein-oleic acid mixture: Local structure and thermodynamic properties

    Science.gov (United States)

    Couallier, E.; Riaublanc, A.; David Briand, E.; Rousseau, B.

    2018-05-01

    An artificial oil-in-water emulsion analogous to those found in bioresources or food matrices is simulated and studied experimentally. It is composed of one of the major natural free fatty acids (the oleic acid, OA) and the corresponding triacylglyceride (trioleic glyceride, or triolein, GTO). Because of the large time and length scales involved, the molecular simulations are done with the Martini force field, a coarse-grained model. This allowed us to study the water-OA-GTO system at different compositions with more than 20 000 molecules and up to 2 μs. Interfacial tension was measured using the pendant drop method and compared with molecular simulation results. We observe very good agreement at high OA concentrations and deviations up to 15% at low OA concentrations. The water solubility in the lipid phase is in fair agreement with experiments, between 0.03 and 0.32 mol/l, rising with the OA content. The area occupied by OA and GTO at the interface between water and the pure product fitted with experimental data (AOA = 36.6 Å2 and AGTO = 152.1 Å2). The consistency between simulation and experimental results allowed a structural analysis of the interface. A bilayer structure of the lipids at the water/oil interface is proposed, containing preferentially oleic acid but also triolein. Through all these results, the usefulness of coarse-grained simulation for the description of water-oil interfacial organization is demonstrated. This method will be used later to bring local information on the organization of target compounds, necessary in biomass fractionation processes or food additive formulations, for example.

  11. Simulating shock-bubble interactions at water-gelatin interfaces

    Science.gov (United States)

    Adami, Stefan; Kaiser, Jakob; Bermejo-Moreno, Ivan; Adams, Nikolaus

    2016-11-01

    Biomedical problems are often driven by fluid dynamics, as in vivo organisms are usually composed of or filled with fluids that (strongly) affected their physics. Additionally, fluid dynamical effects can be used to enhance certain phenomena or destroy organisms. As examples, we highlight the benign potential of shockwave-driven kidney-stone lithotripsy or sonoporation (acoustic cavitation of microbubbles) to improve drug delivery into cells. During the CTR SummerProgram 2016 we have performed axisymmetric three-phase simulations of a shock hitting a gas bubble in water near a gelatin interface mimicking the fundamental process during sonoporation. We used our multi-resolution finite volume method with sharp interface representation (level-set), WENO-5 shock capturing and interface scale-separation and compared the results with a diffuse-interface method. Qualitatively our simulation results agree well with the reference. Due to the interface treatment the pressure profiles are sharper in our simulations and bubble collapse dynamics are predicted at shorter time-scales. Validation with free-field collapse (Rayleigh collapse) shows very good agreement. The project leading to this application has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant agreement No 667483).

  12. Simulation of the solidification in a channel of a water-cooled glass flow

    Directory of Open Access Journals (Sweden)

    G. E. Ovando Chacon

    2014-12-01

    Full Text Available A computer simulation study of a laminar steady-state glass flow that exits from a channel cooled with water is reported. The simulations are carried out in a two-dimensional, Cartesian channel with a backward-facing step for three different angles of the step and different glass outflow velocities. We studied the interaction of the fluid dynamics, phase change and thermal behavior of the glass flow due to the heat that transfers to the cooling water through the wall of the channel. The temperature, streamline, phase change and pressure fields are obtained and analyzed for the glass flow. Moreover, the temperature increments of the cooling water are characterized. It is shown that, by reducing the glass outflow velocity, the solidification is enhanced; meanwhile, an increase of the step angle also improves the solidification of the glass flow.

  13. Deep Space Storm Shelter Simulation Study

    Science.gov (United States)

    Dugan, Kathryn; Phojanamongkolkij, Nipa; Cerro, Jeffrey; Simon, Matthew

    2015-01-01

    Missions outside of Earth's magnetic field are impeded by the presence of radiation from galactic cosmic rays and solar particle events. To overcome this issue, NASA's Advanced Exploration Systems Radiation Works Storm Shelter (RadWorks) has been studying different radiation protective habitats to shield against the onset of solar particle event radiation. These habitats have the capability of protecting occupants by utilizing available materials such as food, water, brine, human waste, trash, and non-consumables to build short-term shelters. Protection comes from building a barrier with the materials that dampens the impact of the radiation on astronauts. The goal of this study is to develop a discrete event simulation, modeling a solar particle event and the building of a protective shelter. The main hallway location within a larger habitat similar to the International Space Station (ISS) is analyzed. The outputs from this model are: 1) the total area covered on the shelter by the different materials, 2) the amount of radiation the crew members receive, and 3) the amount of time for setting up the habitat during specific points in a mission given an event occurs.

  14. Heterogeneous structure and solvation dynamics of DME/water binary mixtures: A combined spectroscopic and simulation investigation

    Science.gov (United States)

    Das Mahanta, Debasish; Rana, Debkumar; Patra, Animesh; Mukherjee, Biswaroop; Mitra, Rajib Kumar

    2018-05-01

    Water is often found in (micro)-heterogeneous environments and therefore it is necessary to understand their H-bonded network structure in such altered environments. We explore the structure and dynamics of water in its binary mixture with relatively less polar small biocompatible amphiphilic molecule 1,2-Dimethoxyethane (DME) by a combined spectroscopic and molecular dynamics (MD) simulation study. Picosecond (ps) resolved fluorescence spectroscopy using coumarin 500 as the fluorophore establishes a non-monotonic behaviour of the mixture. Simulation studies also explore the various possible H-bond formations between water and DME. The relative abundance of such different water species manifests the heterogeneity in the mixture.

  15. Experimental study and simulations of infiltration in evapotranspiration landfill covers

    Directory of Open Access Journals (Sweden)

    Wen-xian Zhang

    2009-09-01

    Full Text Available Various cover systems have been designed for landfill sites in order to minimize infiltration (percolation into the underlying waste. This study evaluated the soil water balance performance of evapotranspiration covers (ET covers and simulated percolation in the systems using the active region model (ARM. Experiments were conducted to measure water flow processes and water balance components in a bare soil cover and different ET covers. Results showed that vegetation played a critical role in controlling the water balance of the ET covers. In soil profiles of 60-cm depth with and without vegetation cover, the maximum soil water storage capacities were 97.2 mm and 62.8 mm, respectively. The percolation amount in the bare soil was 2.1 times that in the vegetation-covered soil. The ARM simulated percolation more accurately than the continuum model because it considered preferential flow. Numerical simulation results also indicated that using the ET cover system was an effective way of removing water through evapotranspiration, thus reducing percolation.

  16. [Simulation of water and carbon fluxes in harvard forest area based on data assimilation method].

    Science.gov (United States)

    Zhang, Ting-Long; Sun, Rui; Zhang, Rong-Hua; Zhang, Lei

    2013-10-01

    Model simulation and in situ observation are the two most important means in studying the water and carbon cycles of terrestrial ecosystems, but have their own advantages and shortcomings. To combine these two means would help to reflect the dynamic changes of ecosystem water and carbon fluxes more accurately. Data assimilation provides an effective way to integrate the model simulation and in situ observation. Based on the observation data from the Harvard Forest Environmental Monitoring Site (EMS), and by using ensemble Kalman Filter algorithm, this paper assimilated the field measured LAI and remote sensing LAI into the Biome-BGC model to simulate the water and carbon fluxes in Harvard forest area. As compared with the original model simulated without data assimilation, the improved Biome-BGC model with the assimilation of the field measured LAI in 1998, 1999, and 2006 increased the coefficient of determination R2 between model simulation and flux observation for the net ecosystem exchange (NEE) and evapotranspiration by 8.4% and 10.6%, decreased the sum of absolute error (SAE) and root mean square error (RMSE) of NEE by 17.7% and 21.2%, and decreased the SAE and RMSE of the evapotranspiration by 26. 8% and 28.3%, respectively. After assimilated the MODIS LAI products of 2000-2004 into the improved Biome-BGC model, the R2 between simulated and observed results of NEE and evapotranspiration was increased by 7.8% and 4.7%, the SAE and RMSE of NEE were decreased by 21.9% and 26.3%, and the SAE and RMSE of evapotranspiration were decreased by 24.5% and 25.5%, respectively. It was suggested that the simulation accuracy of ecosystem water and carbon fluxes could be effectively improved if the field measured LAI or remote sensing LAI was integrated into the model.

  17. [Review on HSPF model for simulation of hydrology and water quality processes].

    Science.gov (United States)

    Li, Zhao-fu; Liu, Hong-Yu; Li, Yan

    2012-07-01

    Hydrological Simulation Program-FORTRAN (HSPF), written in FORTRAN, is one ol the best semi-distributed hydrology and water quality models, which was first developed based on the Stanford Watershed Model. Many studies on HSPF model application were conducted. It can represent the contributions of sediment, nutrients, pesticides, conservatives and fecal coliforms from agricultural areas, continuously simulate water quantity and quality processes, as well as the effects of climate change and land use change on water quantity and quality. HSPF consists of three basic application components: PERLND (Pervious Land Segment) IMPLND (Impervious Land Segment), and RCHRES (free-flowing reach or mixed reservoirs). In general, HSPF has extensive application in the modeling of hydrology or water quality processes and the analysis of climate change and land use change. However, it has limited use in China. The main problems with HSPF include: (1) some algorithms and procedures still need to revise, (2) due to the high standard for input data, the accuracy of the model is limited by spatial and attribute data, (3) the model is only applicable for the simulation of well-mixed rivers, reservoirs and one-dimensional water bodies, it must be integrated with other models to solve more complex problems. At present, studies on HSPF model development are still undergoing, such as revision of model platform, extension of model function, method development for model calibration, and analysis of parameter sensitivity. With the accumulation of basic data and imorovement of data sharing, the HSPF model will be applied more extensively in China.

  18. Water resources and water pollution studies

    International Nuclear Information System (INIS)

    Airey, P.

    2001-01-01

    Nuclear techniques are widely used in the investigation of the dynamics of the water cycle. This paper focusses on their contributions to the development of strategies for the sustainability of environmental resources. Emphasis has been placed on the role of environmental isotopes and radiotracers in evaluating models of complex environmental systems. Specific reference is made to 1) the construction of a marine radioactivity database for Asia and the Pacific, 2) the sustainability of groundwater in regions challenged by climate change, and 3) the applications of radiotracers to off-shore transport of sediments and contaminants

  19. Studies of thermal stratification in water pool

    International Nuclear Information System (INIS)

    Verma, P.K.; Chandraker, D.K.; Nayak, A.K.; Vijayan, P.K.

    2015-01-01

    Large water pools are used as a heat sink for various cooling systems used in industry. In context of advance nuclear reactors like AHWR, it is used as ultimate heat sink for passive systems for decay heat removal and containment cooling. This system incorporates heat exchangers submerged in the large water pool. However, heat transfer by natural convection in pool poses a problem of thermal stratification. Due to thermal stratification hot layers of water accumulate over the relatively cold one. The heat transfer performance of heat exchanger gets deteriorated as a hot fluid envelops it. In the nuclear reactors, the walls of the pool are made of concrete and it may subject to high temperature due to thermal stratification which is not desirable. In this paper, a concept of employing shrouds around the heat source is studied. These shrouds provide a bulk flow in the water pool, thereby facilitating mixing of hot and cold fluid, which eliminate stratification. The concept has been applied to the a scaled model of Gravity Driven Water Pool (GDWP) of AHWR in which Isolation Condensers (IC) tubes are submerged for decay heat removal of AHWR using ICS and thermal stratification phenomenon was predicted with and without shrouds. To demonstrate the adequacy of the effectiveness of shroud arrangement and to validate the simulation methodology of RELAP5/Mod3.2, experiments has been conducted on a scaled model of the pool with and without shroud. (author)

  20. 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)

  1. Development of capacitive sensor for automatically measuring tumbler water level with FEA simulation.

    Science.gov (United States)

    Wei, Qun; Kim, Mi-Jung; Lee, Jong-Ha

    2018-01-01

    Drinking water has several advantages that have already been established, such as improving blood circulation, reducing acid in the stomach, etc. However, due to people not noticing the amount of water they consume every time they drink, most people drink less water than the recommended daily allowance. In this paper, a capacitive sensor for developing an automatic tumbler to measure water level is proposed. Different than in previous studies, the proposed capacitive sensor was separated into two sets: the main sensor for measuring the water level in the tumbler, and the reference sensor for measuring the incremental level unit. In order to confirm the feasibility of the proposed idea, and to optimize the shape of the sensor, a 3D model of the capacitive sensor with the tumbler was designed and subjected to Finite Element Analysis (FEA) simulation. According to the simulation results, the electrodes were made of copper and assembled in a tumbler manufactured by a 3D printer. The tumbler was filled with water and was subjected to experiments in order to assess the sensor's performance. The comparison of experimental results to the simulation results shows that the measured capacitance value of the capacitive sensor changed linearly as the water level varied. This proves that the proposed sensor can accurately measure the water level in the tumbler. Additionally, by use of the curve fitting method, a compensation algorithm was found to match the actual level with the measured level. The experimental results proved that the proposed capacitive sensor is able to measure the actual water level in the tumbler accurately. A digital control part with micro-processor will be designed and fixed on the bottom of the tumbler for developing a smart tumbler.

  2. Simulating Mobility of Chemical Contaminants from Unconventional Gas Development for Protection of Water Resources

    Science.gov (United States)

    Kanno, C.; Edlin, D.; Borrillo-Hutter, T.; McCray, J. E.

    2014-12-01

    Potential contamination of ground water and surface water supplies from chemical contaminants in hydraulic fracturing fluids or in natural gas is of high public concern. However, quantitative assessments have rarely been conducted at specific energy-producing locations so that the true risk of contamination can be evaluated. The most likely pathways for contamination are surface spills and faulty well bores that leak production fluids directly into an aquifer. This study conducts fate and transport simulations of the most mobile chemical contaminants, based on reactivity to subsurface soils, degradation potential, and source concentration, to better understand which chemicals are most likely to contaminate water resources, and to provide information to planners who wish to be prepared for accidental releases. The simulations are intended to be most relevant to the Niobrara shale formation.

  3. Homogeneous nucleation of water in argon : nucleation rate computation from molecular simulations of TIP4P and TIP4P/2005 water model

    NARCIS (Netherlands)

    Dumitrescu, Lucia R.; Smeulders, David M.J.; Dam, Jacques A.M.; Gaastra-Nedea, Silvia V.

    2017-01-01

    Molecular dynamics (MD) simulations were conducted to study nucleation of water at 350 K in argon using TIP4P and TIP4P/2005 water models. We found that the stability of any cluster, even if large, strongly depends on the energetic interactions with its vicinity, while the stable clusters change

  4. Crop micrometeorology : a simulation study

    NARCIS (Netherlands)

    Goudriaan, J.

    1977-01-01

    This monograph presents the results of a detailed study in micrometeorology; one of the sciences that play an important role in production ecology. The purpose is to explain the microweather as a function of the properties of plant and soil, and of the weather conditions prevalent at some

  5. Molecular Dynamics Simulation of a Membrane/Water Interface : The Ordering of Water and Its Relation to the Hydration Force

    NARCIS (Netherlands)

    Marrink, Siewert-Jan; Berkowitz, Max; Berendsen, Herman J.C.

    1993-01-01

    In order to obtain a better understanding of the origin of the hydration force, three molecular dynamic simulations of phospholipid/water multilamellar systems were performed. The simulated systems only differed in the amount of interbilayer water, ranging from the minimum to the maximum amount of

  6. Studies of Columbia River water quality

    International Nuclear Information System (INIS)

    Onishi, Y.; Johanson, P.A.; Baca, R.G.; Hilty, E.L.

    1976-01-01

    The program to study the water quality of the Columbia River consists of two separate segments: sediment and radionuclide transport and temperature analysis. Quasi-two dimensional (longitudinal and vertical directions) mathematical simulation models were developed for determining radionuclide inventories, their variations with time, and movements of sediments and individual radionuclides in the freshwater region of the Columbia River below Priest Rapids Dam. These codes are presently being applied to the river reach between Priest Rapids and McNary Dams for the initial sensitivity analysis. In addition, true two-dimensional (longitudinal and lateral directions) models were formulated and are presently being programmed to provide more detailed information on sediment and radionuclide behavior in the river. For the temperature analysis program, river water temperature data supplied by the U. S. Geological Survey for six ERDA-sponsored temperature recording stations have been analyzed and cataloged on storage devices associated with ERDA's CDC 6600 located at Richland, Washington

  7. 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.

  8. 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.

  9. Modelling and simulation of a nitrification biofilter for drinking water ...

    African Journals Online (AJOL)

    For the purification of pure and microbiologically safe drinking water, different treatment steps are necessary. One of those steps is the removal of ammonium, which can, e.g. be accomplished through nitrification in a biofilter. In this study, a model for such a nitrifying biofilter was developed and the model was ...

  10. Numerical simulation of water flow through the bottom en piece of a nuclear fuel assembly

    International Nuclear Information System (INIS)

    Navarro, Moyses A.; Santos, Andre A. Campagnole dos

    2007-01-01

    The water flow through the bottom nozzle of a nuclear fuel assembly was simulated using a commercial CFD code, CFX 10.0. Previously, simulations with a perforated plate similar to the bottom nozzle plate were performed to define the appropriate mesh refinement and turbulence model (κ-ε or SST). Subsequently, the numerical simulation was performed with the optimized mesh using the turbulence model (κ-ε in a standard bottom nozzle with some geometric simplifications. The numerical results were compared with experimental results to determine the pressure drop through the bottom nozzle in the Reynolds range from ∼10500 to ∼95000. The agreement between the numerical simulations and experimental results may be considered satisfactory. The study indicated that the CFD codes can play an important role in the development of pieces with complex geometries, optimizing the planning of the experiments and aiding in the experimental analysis. (author)

  11. Occurrence and simulation of trihalomethanes in swimming pool water: A simple prediction method based on DOC and mass balance.

    Science.gov (United States)

    Peng, Di; Saravia, Florencia; Abbt-Braun, Gudrun; Horn, Harald

    2016-01-01

    Trihalomethanes (THM) are the most typical disinfection by-products (DBPs) found in public swimming pool water. DBPs are produced when organic and inorganic matter in water reacts with chemical disinfectants. The irregular contribution of substances from pool visitors and long contact time with disinfectant make the forecast of THM in pool water a challenge. In this work occurrence of THM in a public indoor swimming pool was investigated and correlated with the dissolved organic carbon (DOC). Daily sampling of pool water for 26 days showed a positive correlation between DOC and THM with a time delay of about two days, while THM and DOC didn't directly correlate with the number of visitors. Based on the results and mass-balance in the pool water, a simple simulation model for estimating THM concentration in indoor swimming pool water was proposed. Formation of THM from DOC, volatilization into air and elimination by pool water treatment were included in the simulation. Formation ratio of THM gained from laboratory analysis using native pool water and information from field study in an indoor swimming pool reduced the uncertainty of the simulation. The simulation was validated by measurements in the swimming pool for 50 days. The simulated results were in good compliance with measured results. This work provides a useful and simple method for predicting THM concentration and its accumulation trend for long term in indoor swimming pool water. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Simulation of ground-water flow and land subsidence in the Antelope Valley ground-water basin, California

    Science.gov (United States)

    Leighton, David A.; Phillips, Steven P.

    2003-01-01

    ground-water development have eliminated the natural sources of discharge, and pumping for agricultural and urban uses have become the primary source of discharge from the ground-water system. Infiltration of return flows from agricultural irrigation has become an important source of recharge to the aquifer system. The ground-water flow model of the basin was discretized horizontally into a grid of 43 rows and 60 columns of square cells 1 mile on a side, and vertically into three layers representing the upper, middle, and lower aquifers. Faults that were thought to act as horizontal-flow barriers were simulated in the model. The model was calibrated to simulate steady-state conditions, represented by 1915 water levels and transient-state conditions during 1915-95 using water-level and subsidence data. Initial estimates of the aquifer-system properties and stresses were obtained from a previously published numerical model of the Antelope Valley ground-water basin; estimates also were obtained from recently collected hydrologic data and from results of simulations of ground-water flow and land subsidence models of the Edwards Air Force Base area. Some of these initial estimates were modified during model calibration. Ground-water pumpage for agriculture was estimated on the basis of irrigated crop acreage and crop consumptive-use data. Pumpage for public supply, which is metered, was compiled and entered into a database used for this study. Estimated annual pumpage peaked at 395,000 acre-feet (acre-ft) in 1952 and then declined because of declining agricultural production. Recharge from irrigation-return flows was estimated to be 30 percent of agricultural pumpage; the irrigation-return flows were simulated as recharge to the regional water table 10 years following application at land surface. The annual quantity of natural recharge initially was based on estimates from previous studies. During model calibration, natural recharge was reduced from the initial

  13. Temperature distribution of a hot water storage tank in a simulated solar heating and cooling system

    Science.gov (United States)

    Namkoong, D.

    1976-01-01

    A 2,300-liter hot water storage tank was studied under conditions simulating a solar heating and cooling system. The initial condition of the tank, ranging from 37 C at the bottom to 94 C at the top, represented a condition midway through the start-up period of the system. During the five-day test period, the water in the tank gradually rose in temperature but in a manner that diminished its temperature stratification. Stratification was found not to be an important factor in the operation of the particular solar system studied.

  14. Experimental validation of dynamic simulation of the flat plate collector in a closed thermosyphon solar water heater

    DEFF Research Database (Denmark)

    Taherian, H.; Kolaei, Alireza Rezania; Sadeghi, S.

    2011-01-01

    This work studies the dynamic simulation of thermosyphon solar water heater collector considering the weather conditions of a city in north of Iran. The simulation was done for clear and partly cloudy days. The useful energy, the efficiency diagrams, the inlet and the outlet of collector, center...

  15. Multiscale modeling of a rectifying bipolar nanopore: explicit-water versus implicit-water simulations.

    Science.gov (United States)

    Ható, Zoltán; Valiskó, Mónika; Kristóf, Tamás; Gillespie, Dirk; Boda, Dezsö

    2017-07-21

    In a multiscale modeling approach, we present computer simulation results for a rectifying bipolar nanopore at two modeling levels. In an all-atom model, we use explicit water to simulate ion transport directly with the molecular dynamics technique. In a reduced model, we use implicit water and apply the Local Equilibrium Monte Carlo method together with the Nernst-Planck transport equation. This hybrid method makes the fast calculation of ion transport possible at the price of lost details. We show that the implicit-water model is an appropriate representation of the explicit-water model when we look at the system at the device (i.e., input vs. output) level. The two models produce qualitatively similar behavior of the electrical current for different voltages and model parameters. Looking at the details of concentration and potential profiles, we find profound differences between the two models. These differences, however, do not influence the basic behavior of the model as a device because they do not influence the z-dependence of the concentration profiles which are the main determinants of current. These results then address an old paradox: how do reduced models, whose assumptions should break down in a nanoscale device, predict experimental data? Our simulations show that reduced models can still capture the overall device physics correctly, even though they get some important aspects of the molecular-scale physics quite wrong; reduced models work because they include the physics that is necessary from the point of view of device function. Therefore, reduced models can suffice for general device understanding and device design, but more detailed models might be needed for molecular level understanding.

  16. Reassessment of Ground-Water Recharge and Simulated Ground-Water Availability for the Hawi Area of North Kohala, Hawaii

    Science.gov (United States)

    Oki, Delwyn S.

    2002-01-01

    An estimate of ground-water availability in the Hawi area of north Kohala, Hawaii, is needed to determine whether ground-water resources are adequate to meet future demand within the area and other areas to the south. For the Hawi area, estimated average annual recharge from infiltration of rainfall, fog drip, and irrigation is 37.5 million gallons per day from a daily water budget. Low and high annual recharge estimates for the Hawi area that incorporate estimated uncertainty are 19.9 and 55.4 million gallons per day, respectively. The recharge estimates from this study are lower than the recharge of 68.4 million gallons per day previously estimated from a monthly water budget. Three ground-water models, using the low, intermediate, and high recharge estimates (19.9, 37.5, and 55.4 million gallons per day, respectively), were developed for the Hawi area to simulate ground-water levels and discharges for the 1990?s. To assess potential ground-water availability, the numerical ground-water flow models were used to simulate the response of the freshwater-lens system to withdrawals at rates in excess of the average 1990?s withdrawal rates. Because of uncertainty in the recharge estimate, estimates of ground-water availability also are uncertain. Results from numerical simulations indicate that for appropriate well sites, depths, and withdrawal rates (1) for the low recharge estimate (19.9 million gallons per day) it may be possible to develop an additional 10 million gallons per day of fresh ground water from the Hawi area and maintain a freshwater-lens thickness of 160 feet near the withdrawal sites, (2) for the intermediate recharge estimate (37.5 million gallons per day) it may be possible to develop an additional 15 million gallons per day of fresh ground water from the Hawi area and maintain a freshwater-lens thickness of 190 feet near the withdrawal sites, and (3) for the high recharge estimate (55.4 million gallons per day) it may be possible to develop at

  17. Water evaporation: a transition path sampling study.

    Science.gov (United States)

    Varilly, Patrick; Chandler, David

    2013-02-07

    We use transition path sampling to study evaporation in the SPC/E model of liquid water. On the basis of thousands of evaporation trajectories, we characterize the members of the transition state ensemble (TSE), which exhibit a liquid-vapor interface with predominantly negative mean curvature at the site of evaporation. We also find that after evaporation is complete, the distributions of translational and angular momenta of the evaporated water are Maxwellian with a temperature equal to that of the liquid. To characterize the evaporation trajectories in their entirety, we find that it suffices to project them onto just two coordinates: the distance of the evaporating molecule to the instantaneous liquid-vapor interface and the velocity of the water along the average interface normal. In this projected space, we find that the TSE is well-captured by a simple model of ballistic escape from a deep potential well, with no additional barrier to evaporation beyond the cohesive strength of the liquid. Equivalently, they are consistent with a near-unity probability for a water molecule impinging upon a liquid droplet to condense. These results agree with previous simulations and with some, but not all, recent experiments.

  18. Hydrogeology, simulated ground-water flow, and ground-water quality, Wright-Patterson Air Force Base, Ohio

    Science.gov (United States)

    Dumouchelle, D.H.; Schalk, C.W.; Rowe, G.L.; De Roche, J.T.

    1993-01-01

    Ground water is the primary source of water in the Wright-Patterson Air Force Base area. The aquifer consists of glacial sands and gravels that fill a buried bedrock-valley system. Consolidated rocks in the area consist of poorly permeable Ordovician shale of the Richmondian stage, in the upland areas, the Brassfield Limestone of Silurian age. The valleys are filled with glacial sediments of Wisconsinan age consisting of clay-rich tills and coarse-grained outwash deposits. Estimates of hydraulic conductivity of the shales based on results of displacement/recovery tests range from 0.0016 to 12 feet per day; estimates for the glacial sediments range from less than 1 foot per day to more than 1,000 feet per day. Ground water flow from the uplands towards the valleys and the major rivers in the region, the Great Miami and the Mad Rivers. Hydraulic-head data indicate that ground water flows between the bedrock and unconsolidated deposits. Data from a gain/loss study of the Mad River System and hydrographs from nearby wells reveal that the reach of the river next to Wright-Patterson Air Force Base is a ground-water discharge area. A steady-state, three-dimensional ground-water-flow model was developed to simulate ground-water flow in the region. The model contains three layers and encompasses about 100 square miles centered on Wright-Patterson Air Force Base. Ground water enters the modeled area primarily by river leakage and underflow at the model boundary. Ground water exits the modeled area primarily by flow through the valleys at the model boundaries and through production wells. A model sensitivity analysis involving systematic changes in values of hydrologic parameters in the model indicates that the model is most sensitive to decreases in riverbed conductance and vertical conductance between the upper two layers. The analysis also indicates that the contribution of water to the buried-valley aquifer from the bedrock that forms the valley walls is about 2 to 4

  19. Hedging Rules for Water Supply Reservoir Based on the Model of Simulation and Optimization

    Directory of Open Access Journals (Sweden)

    Yi Ji

    2016-06-01

    Full Text Available This study proposes a hedging rule model which is composed of a two-period reservior operation model considering the damage depth and hedging rule parameter optimization model. The former solves hedging rules based on a given poriod’s water supply weighting factor and carryover storage target, while the latter optimization model is used to optimize the weighting factor and carryover storage target based on the hedging rules. The coupling model gives the optimal poriod’s water supply weighting factor and carryover storage target to guide release. The conclusions achieved from this study as follows: (1 the water supply weighting factor and carryover storage target have a direct impact on the three elements of the hedging rule; (2 parameters can guide reservoirs to supply water reasonably after optimization of the simulation and optimization model; and (3 in order to verify the utility of the hedging rule, the Heiquan reservoir is used as a case study and particle swarm optimization algorithm with a simulation model is adopted for optimizing the parameter. The results show that the proposed hedging rule can improve the operation performances of the water supply reservoir.

  20. Modeling and simulation challenges pursued by the Consortium for Advanced Simulation of Light Water Reactors (CASL)

    Science.gov (United States)

    Turinsky, Paul J.; Kothe, Douglas B.

    2016-05-01

    The Consortium for the Advanced Simulation of Light Water Reactors (CASL), the first Energy Innovation Hub of the Department of Energy, was established in 2010 with the goal of providing modeling and simulation (M&S) capabilities that support and accelerate the improvement of nuclear energy's economic competitiveness and the reduction of spent nuclear fuel volume per unit energy, and all while assuring nuclear safety. To accomplish this requires advances in M&S capabilities in radiation transport, thermal-hydraulics, fuel performance and corrosion chemistry. To focus CASL's R&D, industry challenge problems have been defined, which equate with long standing issues of the nuclear power industry that M&S can assist in addressing. To date CASL has developed a multi-physics ;core simulator; based upon pin-resolved radiation transport and subchannel (within fuel assembly) thermal-hydraulics, capitalizing on the capabilities of high performance computing. CASL's fuel performance M&S capability can also be optionally integrated into the core simulator, yielding a coupled multi-physics capability with untapped predictive potential. Material models have been developed to enhance predictive capabilities of fuel clad creep and growth, along with deeper understanding of zirconium alloy clad oxidation and hydrogen pickup. Understanding of corrosion chemistry (e.g., CRUD formation) has evolved at all scales: micro, meso and macro. CFD R&D has focused on improvement in closure models for subcooled boiling and bubbly flow, and the formulation of robust numerical solution algorithms. For multiphysics integration, several iterative acceleration methods have been assessed, illuminating areas where further research is needed. Finally, uncertainty quantification and data assimilation techniques, based upon sampling approaches, have been made more feasible for practicing nuclear engineers via R&D on dimensional reduction and biased sampling. Industry adoption of CASL's evolving M

  1. Experimental validation of dynamic simulation of the flat plate collector in a closed thermosyphon solar water heater

    International Nuclear Information System (INIS)

    Taherian, H.; Rezania, A.; Sadeghi, S.; Ganji, D.D.

    2011-01-01

    This work studies the dynamic simulation of thermosyphon solar water heater collector considering the weather conditions of a city in north of Iran. The simulation was done for clear and partly cloudy days. The useful energy, the efficiency diagrams, the inlet and the outlet of collector, center of the absorber and center of the glass cover temperatures, were obtained. The simulation results were then compared with the experimental results in fall and showed a good agreement.

  2. Studying pressure denaturation of a protein by molecular dynamics simulations.

    Science.gov (United States)

    Sarupria, Sapna; Ghosh, Tuhin; García, Angel E; Garde, Shekhar

    2010-05-15

    Many globular proteins unfold when subjected to several kilobars of hydrostatic pressure. This "unfolding-up-on-squeezing" is counter-intuitive in that one expects mechanical compression of proteins with increasing pressure. Molecular simulations have the potential to provide fundamental understanding of pressure effects on proteins. However, the slow kinetics of unfolding, especially at high pressures, eliminates the possibility of its direct observation by molecular dynamics (MD) simulations. Motivated by experimental results-that pressure denatured states are water-swollen, and theoretical results-that water transfer into hydrophobic contacts becomes favorable with increasing pressure, we employ a water insertion method to generate unfolded states of the protein Staphylococcal Nuclease (Snase). Structural characteristics of these unfolded states-their water-swollen nature, retention of secondary structure, and overall compactness-mimic those observed in experiments. Using conformations of folded and unfolded states, we calculate their partial molar volumes in MD simulations and estimate the pressure-dependent free energy of unfolding. The volume of unfolding of Snase is negative (approximately -60 mL/mol at 1 bar) and is relatively insensitive to pressure, leading to its unfolding in the pressure range of 1500-2000 bars. Interestingly, once the protein is sufficiently water swollen, the partial molar volume of the protein appears to be insensitive to further conformational expansion or unfolding. Specifically, water-swollen structures with relatively low radii of gyration have partial molar volume that are similar to that of significantly more unfolded states. We find that the compressibility change on unfolding is negligible, consistent with experiments. We also analyze hydration shell fluctuations to comment on the hydration contributions to protein compressibility. Our study demonstrates the utility of molecular simulations in estimating volumetric properties

  3. A new modelling approach to simulate preferential flow and transport in water repellent porous media: Model structure and validation

    NARCIS (Netherlands)

    Ritsema, C.J.; Dam, van J.C.; Dekker, L.W.; Oostindie, K.

    2005-01-01

    Water repellent soil and surface layers exhibit a complex flow and transport mechanism. Knowledge of the underlying principles is essential, for instance, to simulate water availability for crops and to estimate leaching potentials of agrichemicals. The present study aims to introduce and apply a

  4. Implications of the modelling of stratified hot water storage tanks in the simulation of CHP plants

    Energy Technology Data Exchange (ETDEWEB)

    Campos Celador, A., E-mail: alvaro.campos@ehu.es [ENEDI Research Group-University of the Basque Country, Departamento de Maquinas y Motores Termicos, E.T.S.I. de Bilbao Alameda de Urquijo, s/n 48013 Bilbao, Bizkaia (Spain); Odriozola, M.; Sala, J.M. [ENEDI Research Group-University of the Basque Country, Departamento de Maquinas y Motores Termicos, E.T.S.I. de Bilbao Alameda de Urquijo, s/n 48013 Bilbao, Bizkaia (Spain)

    2011-08-15

    Highlights: {yields} Three different modelling approaches for simulation of hot water tanks are presented. {yields} The three models are simulated within a residential cogeneration plant. {yields} Small differences in the results are found by an energy and exergy analysis. {yields} Big differences between the results are found by an advanced exergy analysis. {yields} Results on the feasibility study are explained by the advanced exergy analysis. - Abstract: This paper considers the effect that different hot water storage tank modelling approaches have on the global simulation of residential CHP plants as well as their impact on their economic feasibility. While a simplified assessment of the heat storage is usually considered in the feasibility studies of CHP plants in buildings, this paper deals with three different levels of modelling of the hot water tank: actual stratified model, ideal stratified model and fully mixed model. These three approaches are presented and comparatively evaluated under the same case of study, a cogeneration plant with thermal storage meeting the loads of an urbanisation located in the Bilbao metropolitan area (Spain). The case of study is simulated by TRNSYS for each one of the three modelling cases and the so obtained annual results are analysed from both a First and Second-Law-based viewpoint. While the global energy and exergy efficiencies of the plant for the three modelling cases agree quite well, important differences are found between the economic results of the feasibility study. These results can be predicted by means of an advanced exergy analysis of the storage tank considering the endogenous and exogenous exergy destruction terms caused by the hot water storage tank.

  5. Water flow prediction for Membranes using 3D simulations with detailed morphology

    KAUST Repository

    Shi, Meixia

    2015-04-01

    The membrane morphology significantly influences membrane performance. For osmotically driven membrane processes, the morphology strongly affects the internal concentration polarization. Different membrane morphologies were generated by simulation and their influence on membrane performance was studied, using a 3D model. The simulation results were experimentally validated for two classical phase-inversion membrane morphologies: sponge- and finger-like structures. Membrane porosity and scanning electron microscopy image information were used as model input. The permeance results from the simulation fit well the experimentally measured permeances. Water permeances were predicted for different kinds of finger-like cavity membranes with different finger-like cavity lengths and various finger-like cavity sets, as well as for membranes with cylindrical cavities. The results provide realistic information on how to increase water permeance, and also illustrate that membrane’s complete morphology is important for the accurate water permeance evaluation. Evaluations only based on porosity might be misleading, and the new 3D simulation approach gives a more realistic representation.

  6. Water flow prediction for Membranes using 3D simulations with detailed morphology

    KAUST Repository

    Shi, Meixia; Printsypar, Galina; Iliev, Oleg; Calo, Victor M.; Amy, Gary L.; Nunes, Suzana Pereira

    2015-01-01

    The membrane morphology significantly influences membrane performance. For osmotically driven membrane processes, the morphology strongly affects the internal concentration polarization. Different membrane morphologies were generated by simulation and their influence on membrane performance was studied, using a 3D model. The simulation results were experimentally validated for two classical phase-inversion membrane morphologies: sponge- and finger-like structures. Membrane porosity and scanning electron microscopy image information were used as model input. The permeance results from the simulation fit well the experimentally measured permeances. Water permeances were predicted for different kinds of finger-like cavity membranes with different finger-like cavity lengths and various finger-like cavity sets, as well as for membranes with cylindrical cavities. The results provide realistic information on how to increase water permeance, and also illustrate that membrane’s complete morphology is important for the accurate water permeance evaluation. Evaluations only based on porosity might be misleading, and the new 3D simulation approach gives a more realistic representation.

  7. The millennium water vapour drop in chemistry–climate model simulations

    Directory of Open Access Journals (Sweden)

    S. Brinkop

    2016-07-01

    Full Text Available This study investigates the abrupt and severe water vapour decline in the stratosphere beginning in the year 2000 (the "millennium water vapour drop" and other similarly strong stratospheric water vapour reductions by means of various simulations with the state-of-the-art Chemistry-Climate Model (CCM EMAC (ECHAM/MESSy Atmospheric Chemistry Model. The model simulations differ with respect to the prescribed sea surface temperatures (SSTs and whether nudging is applied or not. The CCM EMAC is able to most closely reproduce the signature and pattern of the water vapour drop in agreement with those derived from satellite observations if the model is nudged. Model results confirm that this extraordinary water vapour decline is particularly obvious in the tropical lower stratosphere and is related to a large decrease in cold point temperature. The drop signal propagates under dilution to the higher stratosphere and to the poles via the Brewer–Dobson circulation (BDC. We found that the driving forces for this significant decline in water vapour mixing ratios are tropical sea surface temperature (SST changes due to a coincidence with a preceding strong El Niño–Southern Oscillation event (1997/1998 followed by a strong La Niña event (1999/2000 and supported by the change of the westerly to the easterly phase of the equatorial stratospheric quasi-biennial oscillation (QBO in 2000. Correct (observed SSTs are important for triggering the strong decline in water vapour. There are indications that, at least partly, SSTs contribute to the long period of low water vapour values from 2001 to 2006. For this period, the specific dynamical state of the atmosphere (overall atmospheric large-scale wind and temperature distribution is important as well, as it causes the observed persistent low cold point temperatures. These are induced by a period of increased upwelling, which, however, has no corresponding pronounced signature in SSTs anomalies in the tropics

  8. Water-Energy Nexus: Examining The Crucial Connection Through Simulation Based Optimization

    Science.gov (United States)

    Erfani, T.; Tan, C. C.

    2014-12-01

    With a growing urbanisation and the emergence of climate change, the world is facing a more water constrained future. This phenomenon will have direct impacts on the resilience and performance of energy sector as water is playing a key role in electricity generation processes. As energy is becoming a thirstier resource and the pressure on finite water sources is increasing, modelling and analysing this closely interlinked and interdependent loop, called 'water-energy nexus' is becoming an important cross-disciplinary challenge. Conflict often arises in transboundary river where several countries share the same source of water to be used in productive sectors for economic growth. From the perspective of the upstream users, it would be ideal to store the water for hydropower generation and protect the city against drought whereas the downstream users need the supply of water for growth. This research use the case study on the transboundary Blue Nile River basin located in the Middle East where the Ethiopian government decided to invest on building a new dam to store the water and generate hydropower. This leads to an opposition by downstream users as they believe that the introduction of the dam would reduce the amount of water available downstream. This calls for a compromise management where the reservoir operating rules need to be derived considering the interdependencies between the resources available and the requirements proposed by all users. For this, we link multiobjective optimization algorithm to water-energy use simulation model to achieve effective management of the transboundary reservoir operating strategies. The objective functions aim to attain social and economic welfare by minimizing the deficit of water supply and maximizing the hydropower generation. The study helps to improve the policies by understanding the value of water and energy in their alternative uses. The results show how different optimal reservoir release rules generate different

  9. The hydrophobic effect: Molecular dynamics simulations of water confined between extended hydrophobic and hydrophilic surfaces

    DEFF Research Database (Denmark)

    Jensen, Morten Østergaard; Mouritsen, Ole G.; Peters, Günther H.J.

    2004-01-01

    Structural and dynamic properties of water confined between two parallel, extended, either hydrophobic or hydrophilic crystalline surfaces of n-alkane C36H74 or n-alcohol C35H71OH, are studied by molecular dynamics simulations. Electron density profiles, directly compared with corresponding......-correlation functions reveal that water molecules have characteristic diffusive behavior and orientational ordering due to the lack of hydrogen bonding interactions with the surface. These observations suggest that the altered dynamical properties of water in contact with extended hydrophobic surfaces together...... at both surfaces. The ordering is characteristically different between the surfaces and of longer range at the hydrophilic surface. Furthermore, the dynamic properties of water are different at the two surfaces and different from the bulk behavior. In particular, at the hydrophobic surface, time...

  10. Modeling and simulation challenges pursued by the Consortium for Advanced Simulation of Light Water Reactors (CASL)

    Energy Technology Data Exchange (ETDEWEB)

    Turinsky, Paul J., E-mail: turinsky@ncsu.edu [North Carolina State University, PO Box 7926, Raleigh, NC 27695-7926 (United States); Kothe, Douglas B., E-mail: kothe@ornl.gov [Oak Ridge National Laboratory, PO Box 2008, Oak Ridge, TN 37831-6164 (United States)

    2016-05-15

    The Consortium for the Advanced Simulation of Light Water Reactors (CASL), the first Energy Innovation Hub of the Department of Energy, was established in 2010 with the goal of providing modeling and simulation (M&S) capabilities that support and accelerate the improvement of nuclear energy's economic competitiveness and the reduction of spent nuclear fuel volume per unit energy, and all while assuring nuclear safety. To accomplish this requires advances in M&S capabilities in radiation transport, thermal-hydraulics, fuel performance and corrosion chemistry. To focus CASL's R&D, industry challenge problems have been defined, which equate with long standing issues of the nuclear power industry that M&S can assist in addressing. To date CASL has developed a multi-physics “core simulator” based upon pin-resolved radiation transport and subchannel (within fuel assembly) thermal-hydraulics, capitalizing on the capabilities of high performance computing. CASL's fuel performance M&S capability can also be optionally integrated into the core simulator, yielding a coupled multi-physics capability with untapped predictive potential. Material models have been developed to enhance predictive capabilities of fuel clad creep and growth, along with deeper understanding of zirconium alloy clad oxidation and hydrogen pickup. Understanding of corrosion chemistry (e.g., CRUD formation) has evolved at all scales: micro, meso and macro. CFD R&D has focused on improvement in closure models for subcooled boiling and bubbly flow, and the formulation of robust numerical solution algorithms. For multiphysics integration, several iterative acceleration methods have been assessed, illuminating areas where further research is needed. Finally, uncertainty quantification and data assimilation techniques, based upon sampling approaches, have been made more feasible for practicing nuclear engineers via R&D on dimensional reduction and biased sampling. Industry adoption of CASL

  11. Simulation of water flows in multiple columns with small outlets

    International Nuclear Information System (INIS)

    Suh, Yong Kweon; Li, Zi Lu; Jeong, Jong Hyun; Lee, Jun Hee

    2006-01-01

    High-pressure die casting such as thixocasting and rheocasting is an effective process in the manufacturing automotive parts. Following the recent trend in the automotive manufacturing technologies, the product design subject to the die casting becomes more and more complex. Simultaneously the injection speed is also designed to be very high to establish a short cycle-time. Thus, the requirement of the die design becomes more demanding than ever before. In some cases the product's shape can have multiple slender manifolds. In such cases, design of the inlet and outlet parts of the die is very important in the whole manufacturing process. The main issues required for the qualified products are to attain gentle and uniform flow of the molten liquid within the passages of the die. To satisfy such issues, the inlet cylinder ('bed cylinder' in this paper) must be as large as possible and simultaneously the outlet opening at the end of each passage must be as small as possible. However these in turn obviously bring additional manufacturing costs caused by re-melting of the bed cylinder and increased power due to the small outlet-openings. The purpose of this paper is to develop effective simulation methods of calculation for fluid flows in multiple columns, which mimic the actual complex design, and to get some useful information which can give some contributions to the die-casting industry. We have used a commercial code CFX in the numerical simulation. The primary parameter involved is the size of the bed cylinder. We will show how the very small opening of the outlet can be treated with the aid of the porous model provided in the code. To check the validity of the numerical results we have also conducted a simple experiment by using water

  12. Integrating the simulation of domestic water demand behaviour to an urban water model using agent based modelling

    Science.gov (United States)

    Koutiva, Ifigeneia; Makropoulos, Christos

    2015-04-01

    The urban water system's sustainable evolution requires tools that can analyse and simulate the complete cycle including both physical and cultural environments. One of the main challenges, in this regard, is the design and development of tools that are able to simulate the society's water demand behaviour and the way policy measures affect it. The effects of these policy measures are a function of personal opinions that subsequently lead to the formation of people's attitudes. These attitudes will eventually form behaviours. This work presents the design of an ABM tool for addressing the social dimension of the urban water system. The created tool, called Urban Water Agents' Behaviour (UWAB) model, was implemented, using the NetLogo agent programming language. The main aim of the UWAB model is to capture the effects of policies and environmental pressures to water conservation behaviour of urban households. The model consists of agents representing urban households that are linked to each other creating a social network that influences the water conservation behaviour of its members. Household agents are influenced as well by policies and environmental pressures, such as drought. The UWAB model simulates behaviour resulting in the evolution of water conservation within an urban population. The final outcome of the model is the evolution of the distribution of different conservation levels (no, low, high) to the selected urban population. In addition, UWAB is implemented in combination with an existing urban water management simulation tool, the Urban Water Optioneering Tool (UWOT) in order to create a modelling platform aiming to facilitate an adaptive approach of water resources management. For the purposes of this proposed modelling platform, UWOT is used in a twofold manner: (1) to simulate domestic water demand evolution and (2) to simulate the response of the water system to the domestic water demand evolution. The main advantage of the UWAB - UWOT model

  13. Computer simulation for risk management: Hydrogen refueling stations and water supply of a large region

    DEFF Research Database (Denmark)

    Markert, Frank; Kozine, Igor

    2012-01-01

    in applying DES models to the analysis of large infrastructures for refueling stations and water supply. Two case studies are described which are concerned with the inherently safer supply and storage of hydrogen at refueling stations and an established drinking water supply system of a large metropolitan...... area, respectively. For both, the simulation aims at identifying points of potential improvement from the reliability point of view. This allows setting up a list of activities and safety measures to reduce risk and possible losses and mitigate the consequences of accidents. Based on the cases...

  14. Adaptive resolution simulation of polarizable supramolecular coarse-grained water models

    International Nuclear Information System (INIS)

    Zavadlav, Julija; Praprotnik, Matej; Melo, Manuel N.; Marrink, Siewert J.

    2015-01-01

    Multiscale simulations methods, such as adaptive resolution scheme, are becoming increasingly popular due to their significant computational advantages with respect to conventional atomistic simulations. For these kind of simulations, it is essential to develop accurate multiscale water models that can be used to solvate biophysical systems of interest. Recently, a 4-to-1 mapping was used to couple the bundled-simple point charge water with the MARTINI model. Here, we extend the supramolecular mapping to coarse-grained models with explicit charges. In particular, the two tested models are the polarizable water and big multiple water models associated with the MARTINI force field. As corresponding coarse-grained representations consist of several interaction sites, we couple orientational degrees of freedom of the atomistic and coarse-grained representations via a harmonic energy penalty term. This additional energy term aligns the dipole moments of both representations. We test this coupling by studying the system under applied static external electric field. We show that our approach leads to the correct reproduction of the relevant structural and dynamical properties

  15. Optimization of linear and branched alkane interactions with water to simulate hydrophobic hydration

    Science.gov (United States)

    Ashbaugh, Henry S.; Liu, Lixin; Surampudi, Lalitanand N.

    2011-08-01

    Previous studies of simple gas hydration have demonstrated that the accuracy of molecular simulations at capturing the thermodynamic signatures of hydrophobic hydration is linked both to the fidelity of the water model at replicating the experimental liquid density at ambient pressure and an accounting of polarization interactions between the solute and water. We extend those studies to examine alkane hydration using the transferable potentials for phase equilibria united-atom model for linear and branched alkanes, developed to reproduce alkane phase behavior, and the TIP4P/2005 model for water, which provides one of the best descriptions of liquid water for the available fixed-point charge models. Alkane site/water oxygen Lennard-Jones cross interactions were optimized to reproduce the experimental alkane hydration free energies over a range of temperatures. The optimized model reproduces the hydration free energies of the fitted alkanes with a root mean square difference between simulation and experiment of 0.06 kcal/mol over a wide temperature range, compared to 0.44 kcal/mol for the parent model. The optimized model accurately reproduces the temperature dependence of hydrophobic hydration, as characterized by the hydration enthalpies, entropies, and heat capacities, as well as the pressure response, as characterized by partial molar volumes.

  16. A simplified approach for the simulation of water-in-oil emulsions in gravity separators

    Energy Technology Data Exchange (ETDEWEB)

    Lakehal, D.; Narayanan, C. [ASCOMP GmbH, Zurich (Switzerland); Vilagines, R.; Akhras, A.R. [Saudi Aramco, Dhahran (Saudi Arabia). Research and Development Center

    2009-07-01

    A new method of simulating 3-phase flow separation processes in a crude oil product was presented. The aim of the study was to increase the liquid capacity of the vessels and develop methods of testing variable flow entry procedures. The simulated system was based on gravity separation. Oil well streams were injected into large tanks where gas, oil and water were separated under the action of inertia and gravity. An interface tracking technique was combined with a Euler-Euler model developed as part of a computational fluid dynamics (CFD) program. Emulsion physics were modelled by interface tracking between the gas and oil-in-water liquid mixture. Additional scalar transport equations were solved in order to account for the diffusive process between the oil and water. Various settling velocity models were used to consider the settling of the dispersed water phase in oil. Changes in viscosity and non-Newtonian emulsion behaviour were also considered. The study showed that the interface tracking technique accurately predicted flow when combined with an emulsion model designed to account for the settling of water in the oil phase. Further research is now being conducted to validate computational results against in situ measurements. 13 refs., 1 tab., 8 figs.

  17. Improved simulation of river water and groundwater exchange in an alluvial plain using the SWAT model

    Science.gov (United States)

    Hydrological interaction between surface and subsurface water systems has a significant impact on water quality, ecosystems and biogeochemistry cycling of both systems. Distributed models have been developed to simulate this function, but they require detailed spatial inputs and extensive computati...

  18. Preliminary simulation study of doppler reflectometry

    International Nuclear Information System (INIS)

    Ishii, Yuta; Hojo, Hitoshi; Yoshikawa, Masashi; Ichimura, Makoto; Haraguchi, Yusuke; Imai, Tsuyoshi; Mase, Atsushi

    2010-01-01

    A preliminary simulation study of Doppler reflectometry is performed. The simulations solve Maxwell's equations by a finite difference time domain (FDTD) code method in two dimensions. A moving corrugated metal target is used as a plasma cutoff layer to study the basic features of Doppler reflectometry. We examined the effects of the full width at half maximum (FWHM) of the electromagnetic waves and the corrugation depth of the metal target. Furthermore, the effect of a nonuniform plasma is studied using this FDTD analysis. The Doppler shift and velocity are compared with those obtained from FDTD analysis of a uniform plasma. (author)

  19. Numerical Simulation of Water/Al2O3 Nanofluid Turbulent Convection

    Directory of Open Access Journals (Sweden)

    Vincenzo Bianco

    2010-01-01

    Full Text Available Turbulent forced convection flow of a water-Al2O3 nanofluid in a circular tube subjected to a constant and uniform temperature at the wall is numerically analyzed. The two-phase mixture model is employed to simulate the nanofluid convection, taking into account appropriate thermophysical properties. Particles are assumed spherical with a diameter equal to 38 nm. It is found that convective heat transfer coefficient for nanofluids is greater than that of the base liquid. Heat transfer enhancement is increasing with the particle volume concentration and Reynolds number. Comparisons with correlations present in the literature are accomplished and a very good agreement is found with Pak and Cho (1998. As for the friction factor, it shows a good agreement with the classical correlation used for normal fluid, such as Blasius formula.

  20. Quantify Water Extraction by TBP/Dodecane via Molecular Dynamics Simulations

    International Nuclear Information System (INIS)

    Khomami, Bamin; Cui, Shengting; De Almeida, Valmor F.

    2013-01-01

    The purpose of this project is to quantify the interfacial transport of water into the most prevalent nuclear reprocessing solvent extractant mixture, namely tri-butyl- phosphate (TBP) and dodecane, via massively parallel molecular dynamics simulations on the most powerful machines available for open research. Specifically, we will accomplish this objective by evolving the water/TBP/dodecane system up to 1 ms elapsed time, and validate the simulation results by direct comparison with experimentally measured water solubility in the organic phase. The significance of this effort is to demonstrate for the first time that the combination of emerging simulation tools and state-of-the-art supercomputers can provide quantitative information on par to experimental measurements for solvent extraction systems of relevance to the nuclear fuel cycle. Results: Initially, the isolated single component, and single phase systems were studied followed by the two-phase, multicomponent counterpart. Specifically, the systems we studied were: pure TBP; pure n-dodecane; TBP/n-dodecane mixture; and the complete extraction system: water-TBP/n-dodecane two phase system to gain deep insight into the water extraction process. We have completely achieved our goal of simulating the molecular extraction of water molecules into the TBP/n-dodecane mixture up to the saturation point, and obtained favorable comparison with experimental data. Many insights into fundamental molecular level processes and physics were obtained from the process. Most importantly, we found that the dipole moment of the extracting agent is crucially important in affecting the interface roughness and the extraction rate of water molecules into the organic phase. In addition, we have identified shortcomings in the existing OPLS-AA force field potential for long-chain alkanes. The significance of this force field is that it is supposed to be optimized for molecular liquid simulations. We found that it failed for dodecane and

  1. Digital Simulation Games for Social Studies Classrooms

    Science.gov (United States)

    Devlin-Scherer, Roberta; Sardone, Nancy B.

    2010-01-01

    Data from ten teacher candidates studying teaching methods were analyzed to determine perceptions toward digital simulation games in the area of social studies. This research can be used as a conceptual model of how current teacher candidates react to new methods of instruction and determine how education programs might change existing curricula…

  2. Numerical simulation of water flow and Nitrate transport through variably saturated porous media in laboratory condition using HYDRUS 2D

    Science.gov (United States)

    Jahangeer, F.; Gupta, P. K.; Yadav, B. K.

    2017-12-01

    Due to the reducing availability of water resources and the growing competition for water between residential, industrial, and agricultural users, increasing irrigation efficiency, by several methods like drip irrigation, is a demanding concern for agricultural experts. The understanding of the water and contaminants flow through the subsurface is needed for the sustainable irrigation water management, pollution assessment, polluted site remediation and groundwater recharge. In this study, the Windows-based computer software package HYDRUS-2D, which numerically simulates water and solute movement in two-dimensional, variably-saturated porous media, was used to evaluate the distribution of water and Nitrate in the sand tank. The laboratory and simulation experiments were conducted to evaluate the role of drainage, recharge flux, and infiltration on subsurface flow condition and subsequently, on nitrate movement in the subsurface. The water flow in the unsaturated zone model by Richards' equation, which was highly nonlinear and its parameters were largely dependent on the moisture content and pressure head of the partially saturated zone. Following different cases to be considered to evaluate- a) applying drainage and recharge flux to study domains, b) transient infiltration in a vertical soil column and c) subsequently, nitrate transport in 2D sand tank setup. A single porosity model was used for the simulation of water and nitrate flow in the study domain. The results indicate the transient water table position decreases as the time increase significantly by applying drainage flux at the bottom. Similarly, the water table positions in study domains increasing in the domain by applying recharge flux. Likewise, the water flow profile shows the decreasing water table elevation with increasing water content in the vertical domain. Moreover, the nitrate movement was dominated by advective flux and highly affected by the recharge flux in the vertical direction. The

  3. Numerical simulation of the electrodeionization (EDI) process accounting for water dissociation

    International Nuclear Information System (INIS)

    Lu Jun; Wang Yuxin; Zhu Jia

    2010-01-01

    The electrodeionization process (EDI) is usually operated at overlimiting current density, and is thus characterized by water dissociation and concentration polarization. We attempt to study the useful and harmful effects of water dissociation on the EDI process. A numerical steady state model was established to simulate the process of EDI, accounting for the effects of water dissociation. The differences in concentration polarization of membranes were investigated to study the effects of water dissociation on cation and anion membranes. Protons produced by water dissociation caused the resin to transform into the H-form. The H-form resin, which has high conductivity and high transport number, depletes protons in the interstitial solution. This explains the experimentally detected phenomenon that at high current densities, the pH value of the effluency of the dilute compartment (DC) stops decreasing when current increases. We suggest that the useful role of water dissociation in EDI is due to the H-form resin bringing more salt cations of the interstitial solution into the resin phase, thus producing a high conductivity channel for the electro-migration of the salt cations. This mechanism avoids the decrease in salt ion conductivity brought about by concentration polarization. The disadvantageous effect of concentration polarization on the transportation of salt ions in interstitial solution is thus lessened. An intermediate point between the useful and harmful effects of water dissociation was determined by the dependence of current efficiency and removal rate for both cations and anions as a function of current density.

  4. Hydrogeology and simulation of ground-water flow, Picatinny Arsenal and vicinity, Morris County, New Jersey

    Science.gov (United States)

    Voronin, L.M.; Rice, D.E.

    1996-01-01

    Ground-water flow in glacial sediments and bedrock at Picatinny Arsenal, N.J., was simulated by use of a three-dimensional finite-difference ground- water-flow model. The modeled area includes a 4.3-square-mile area that extends from Picatinny Lake to the Rockaway River. Most of the study area is bounded by the natural hydrologic boundaries of the ground-water system. eophysical logs, lithologic logs, particle-size data, and core data from selected wells and surface geophysical data were analyzed to define the hydrogeologic framework. Hydrogeologic sections and thickness maps define six permeable and three low-permeability layers that are represented in the model as aquifers and confining units, respectively. Hydrologic data incorporated in the model include a rate of recharge from precipitation of 22 inches per year, estimated from long-term precipitation records and estimates of evapotranspiration. Additional recharge from infiltration along valleys was estimated from measured discharge of springs along the adjacent valley walls and from estimates of runoff from upland drainage that flows to the valley floor. Horizontal and vertical hydraulic conductivities of permeable and low-permeability layers were estimated from examination of aquifer-test data, gamma-ray logs, borehole cuttings, and previously published data. Horizontal hydraulic conductivities in glacial sediments range from 10 to 380 feet per day. Vertical hydraulic conductivities of the low-permeability layers range from 0.01 to 0.7 feet per day. The model was calibrated by simulating steady-state conditions during 1989-93 and by closely matching simulated and measured ground-water levels, vertical ground-water-head differences, and streamflow gain and loss. Simulated steady-state potentiometric- surface maps produced for the six permeable layers indicate that ground water in the unconfined material within Picatinny Arsenal flows predominantly toward the center of the valley, where it discharges to Green

  5. Water flow simulation and analysis in HMA microstructure

    Directory of Open Access Journals (Sweden)

    Can Chen

    2014-10-01

    Full Text Available This paper introduces a new method for reconstructing virtual two-dimensional (2-D microstructure of hot mix asphalt (HMA. Based on the method, the gradation of coarse aggregates and the film thickness of the asphalt binder can be defined by the user. The HMA microstructure then serves as the input to the computational fluid dynamic (CFD software (ANSYS-FLUENT to investigate the water flow pattern through it. It is found that the realistic flow fields can be simulated in the 2-D micro-structure and the flow patterns in some typical air void structures can be identified. These flow patterns can be used to explain the mechanism that could result in moisture damage in HMA pavement. The one-dimensional numerical permeability values are also derived from the flow fields of the 2-D HMA microstructure and compared with the measured values obtained by the Karol-Warner permeameter. Because the interconnected air voids channels in actual HMA samples cannot be fully represented in a 2-D model, some poor agreements need to be improved.

  6. Effect of water on methane adsorption on the kaolinite (0 0 1) surface based on molecular simulations

    Science.gov (United States)

    Zhang, Bin; Kang, Jianting; Kang, Tianhe

    2018-05-01

    CH4 adsorption isotherms of kaolinite with moisture contents ranging from 0 to 5 wt% water, the effects of water on maximum adsorption capacity, kaolinite swelling, and radial distribution function were modelled by the implementing combined Monte Carlo (MC) and molecular dynamics (MD) simulations at 293.15 K (20 °C) and a pressure range of 1-20 MPa. The simulation results showed that the absolute adsorption of CH4 on both dry and moist kaolinite followed a Langmuir isotherm within the simulated pressure range, and both the adsorption capacity and the rate of CH4 adsorption decreased with the water content increases. The adsorption isosteric heats of CH4 on kaolinite decreased linearly with increasing water content, indicating that at higher water contents, the interaction energy between the CH4 and kaolinite was weaker. The interaction between kaolinite and water dominates and was the main contributing factor to kaolinite clay swelling. Water molecules were preferentially adsorbed onto oxygen and hydrogen atoms in kaolinite, while methane showed a tendency to be adsorbed only onto oxygen. The simulation results of our study provide the quantitative analysis of effect of water on CH4 adsorption capacity, adsorption rate, and interaction energy from a microscopic perspective. We hope that our study will contribute to the development of strategies for the further exploration of coal bed methane and shale gas.

  7. Modifying a dynamic global vegetation model for simulating large spatial scale land surface water balances

    Science.gov (United States)

    Tang, G.; Bartlein, P. J.

    2012-08-01

    Satellite-based data, such as vegetation type and fractional vegetation cover, are widely used in hydrologic models to prescribe the vegetation state in a study region. Dynamic global vegetation models (DGVM) simulate land surface hydrology. Incorporation of satellite-based data into a DGVM may enhance a model's ability to simulate land surface hydrology by reducing the task of model parameterization and providing distributed information on land characteristics. The objectives of this study are to (i) modify a DGVM for simulating land surface water balances; (ii) evaluate the modified model in simulating actual evapotranspiration (ET), soil moisture, and surface runoff at regional or watershed scales; and (iii) gain insight into the ability of both the original and modified model to simulate large spatial scale land surface hydrology. To achieve these objectives, we introduce the "LPJ-hydrology" (LH) model which incorporates satellite-based data into the Lund-Potsdam-Jena (LPJ) DGVM. To evaluate the model we ran LH using historical (1981-2006) climate data and satellite-based land covers at 2.5 arc-min grid cells for the conterminous US and for the entire world using coarser climate and land cover data. We evaluated the simulated ET, soil moisture, and surface runoff using a set of observed or simulated data at different spatial scales. Our results demonstrate that spatial patterns of LH-simulated annual ET and surface runoff are in accordance with previously published data for the US; LH-modeled monthly stream flow for 12 major rivers in the US was consistent with observed values respectively during the years 1981-2006 (R2 > 0.46, p 0.52). The modeled mean annual discharges for 10 major rivers worldwide also agreed well (differences day method for snowmelt computation, the addition of the solar radiation effect on snowmelt enabled LH to better simulate monthly stream flow in winter and early spring for rivers located at mid-to-high latitudes. In addition, LH

  8. Combined simulation of carbon and water isotopes in a global ocean model

    Science.gov (United States)

    Paul, André; Krandick, Annegret; Gebbie, Jake; Marchal, Olivier; Dutkiewicz, Stephanie; Losch, Martin; Kurahashi-Nakamura, Takasumi; Tharammal, Thejna

    2013-04-01

    Carbon and water isotopes are included as passive tracers in the MIT general circulation model (MITgcm). The implementation of the carbon isotopes is based on the existing MITgcm carbon cycle component and involves the fractionation processes during photosynthesis and air-sea gas exchange. Special care is given to the use of a real freshwater flux boundary condition in conjunction with the nonlinear free surface of the ocean model. The isotopic content of precipitation and water vapor is obtained from an atmospheric GCM (the NCAR CAM3) and mapped onto the MITgcm grid system, but the kinetic fractionation during evaporation is treated explicitly in the ocean model. In a number of simulations, we test the sensitivity of the carbon isotope distributions to the formulation of fractionation during photosynthesis and compare the results to modern observations of δ13C and Δ14C from GEOSECS, WOCE and CLIVAR. Similarly, we compare the resulting distribution of oxygen isotopes to modern δ18O data from the NASA GISS Global Seawater Oxygen-18 Database. The overall agreement is good, but there are discrepancies in the carbon isotope composition of the surface water and the oxygen isotope composition of the intermediate and deep waters. The combined simulation of carbon and water isotopes in a global ocean model will provide a framework for studying present and past states of ocean circulation such as postulated from deep-sea sediment records.

  9. Numerical Simulation of the Water Cycle Change Over the 20th Century

    Science.gov (United States)

    Bosilovich, Michael G.; Schubert, Siegfried D.

    2003-01-01

    We have used numerical models to test the impact of the change in Sea Surface Temperatures (SSTs) and carbon dioxide (CO2) concentration on the global circulation, particularly focusing on the hydrologic cycle, namely the global cycling of water and continental recycling of water. We have run four numerical simulations using mean annual SST from the early part of the 20th century (1900-1920) and the later part (1980-2000). In addition, we vary the CO2 concentrations for these periods as well. The duration of the simulations is 15 years, and the spatial resolution is 2 degrees. We use passive tracers to study the geographical sources of water. Surface evaporation from predetermined continental and oceanic regions provides the source of water for each passive tracer. In this way, we compute the percent of precipitation of each region over the globe. This can also be used to estimate precipitation recycling. In addition, we are using the passive tracers to independently compute the global cycling of water (compared to the traditional, Q/P calculation).

  10. Molecular Dynamics Simulation and Analysis of Interfacial Water at Selected Sulfide Mineral Surfaces under Anaerobic Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Jiaqi; Miller, Jan D.; Dang, Liem X.

    2014-04-10

    In this paper, we report on a molecular dynamics simulation (MDS) study of the behavior of interfacial water at selected sulfide mineral surfaces under anaerobic conditions. The study revealed the interfacial water structure and wetting characteristics of the pyrite (100) surface, galena (100) surface, chalcopyrite (012) surface, sphalerite (110) surface, and molybdenite surfaces (i.e., the face, armchair-edge, and zigzag-edge surfaces), including simulated contact angles, relative number density profiles, water dipole orientations, hydrogen-bonding, and residence times. For force fields of the metal and sulfur atoms in selected sulfide minerals used in the MDS, we used the universal force field (UFF) and another set of force fields optimized by quantum chemical calculations for interactions with interfacial water molecules at selected sulfide mineral surfaces. Simulation results for the structural and dynamic properties of interfacial water molecules indicate the natural hydrophobic character for the selected sulfide mineral surfaces under anaerobic conditions as well as the relatively weak hydrophobicity for the sphalerite (110) surface and two molybdenite edge surfaces. Part of the financial support for this study was provided by the U.S. Department of Energy (DOE) under Basic Science Grant No. DE-FG-03-93ER14315. The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the DOE, funded work performed by Liem X. Dang. Battelle operates Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES. The authors are grateful to Professor Tsun-Mei Chang for valuable discussions.

  11. Investigation of Turbulent Tip Leakage Vortex in an Axial Water Jet Pump with Large Eddy Simulation

    Science.gov (United States)

    Hah, Chunill; Katz, Joseph

    2012-01-01

    Detailed steady and unsteady numerical studies were performed to investigate tip clearance flow in an axial water jet pump. The primary objective is to understand physics of unsteady tip clearance flow, unsteady tip leakage vortex, and cavitation inception in an axial water jet pump. Steady pressure field and resulting steady tip leakage vortex from a steady flow analysis do not seem to explain measured cavitation inception correctly. The measured flow field near the tip is unsteady and measured cavitation inception is highly transient. Flow visualization with cavitation bubbles shows that the leakage vortex is oscillating significantly and many intermittent vortex ropes are present between the suction side of the blade and the tip leakage core vortex. Although the flow field is highly transient, the overall flow structure is stable and a characteristic frequency seems to exist. To capture relevant flow physics as much as possible, a Reynolds-averaged Navier-Stokes (RANS) calculation and a Large Eddy Simulation (LES) were applied for the current investigation. The present study reveals that several vortices from the tip leakage vortex system cross the tip gap of the adjacent blade periodically. Sudden changes in local pressure field inside tip gap due to these vortices create vortex ropes. The instantaneous pressure filed inside the tip gap is drastically different from that of the steady flow simulation. Unsteady flow simulation which can calculate unsteady vortex motion is necessary to calculate cavitation inception accurately even at design flow condition in such a water jet pump.

  12. Simulation of Water Level Fluctuations in a Hydraulic System Using a Coupled Liquid-Gas Model

    Directory of Open Access Journals (Sweden)

    Chao Wang

    2015-08-01

    Full Text Available A model for simulating vertical water level fluctuations with coupled liquid and gas phases is presented. The Preissmann implicit scheme is used to linearize the governing equations for one-dimensional transient flow for both liquid and gas phases, and the linear system is solved using the chasing method. Some classical cases for single liquid and gas phase transients in pipelines and networks are studied to verify that the proposed methods are accurate and reliable. The implicit scheme is extended using a dynamic mesh to simulate the water level fluctuations in a U-tube and an open surge tank without consideration of the gas phase. Methods of coupling liquid and gas phases are presented and used for studying the transient process and interaction between the phases, for gas phase limited in a chamber and gas phase transported in a pipeline. In particular, two other simplified models, one neglecting the effect of the gas phase on the liquid phase and the other one coupling the liquid and gas phases asynchronously, are proposed. The numerical results indicate that the asynchronous model performs better, and are finally applied to a hydropower station with surge tanks and air shafts to simulate the water level fluctuations and air speed.

  13. The Effect of Interactive, Three Dimensional, High Speed Simulations on High School Science Students' Conceptions of the Molecular Structure of Water.

    Science.gov (United States)

    Hakerem, Gita; And Others

    The Water and Molecular Networks (WAMNet) Project uses graduate student written Reduced Instruction Set Computing (RISC) computer simulations of the molecular structure of water to assist high school students learn about the nature of water. This study examined: (1) preconceptions concerning the molecular structure of water common among high…

  14. Underground waters and soil contamination studies

    International Nuclear Information System (INIS)

    Ferreira, Vinicius V.M.; Camargos, Claudio C.; Santos, Rosana A.M.

    2009-01-01

    Maybe the greatest problem associated to the nuclear energy is what to do with the waste generated. As example, in Portugal, two of the most important of uranium mines produced a significant amount of waste, now deposited in several storage facilities. To evaluate the impacts generated, samples of water, sediments and soils were analyzed. The space distribution of these samples revealed that the contamination is restricted in the vicinity of the mining areas, and the biggest problem happened due to the illegal use of waters for irrigation, originated from the mine effluents treatment stations. In Brazil, the radioactive waste remains a problem for the authorities and population, since there is not until now a final repository to storage them. The objective of this work is to do studies with the software FRAC3DVS, which simulates the contamination of soils and underground waters due to radioactive and no radioactive sources of pollution. The obtained results show that this tool can help in environmental evaluations and decision making processes in the site selection of a radioactive waste repository. (author)

  15. Advanced computational simulations of water waves interacting with wave energy converters

    Science.gov (United States)

    Pathak, Ashish; Freniere, Cole; Raessi, Mehdi

    2017-03-01

    Wave energy converter (WEC) devices harness the renewable ocean wave energy and convert it into useful forms of energy, e.g. mechanical or electrical. This paper presents an advanced 3D computational framework to study the interaction between water waves and WEC devices. The computational tool solves the full Navier-Stokes equations and considers all important effects impacting the device performance. To enable large-scale simulations in fast turnaround times, the computational solver was developed in an MPI parallel framework. A fast multigrid preconditioned solver is introduced to solve the computationally expensive pressure Poisson equation. The computational solver was applied to two surface-piercing WEC geometries: bottom-hinged cylinder and flap. Their numerically simulated response was validated against experimental data. Additional simulations were conducted to investigate the applicability of Froude scaling in predicting full-scale WEC response from the model experiments.

  16. Thermal simulation of quenching uranium-0.75% titanium alloy in water

    International Nuclear Information System (INIS)

    Siman-Tov, M.; Llewellyn, G.H.; Childs, K.W.; Ludtka, G.M.; Aramayo, G.A.

    1985-01-01

    A computer model, The Quench Simulator, has been developed to simulate and predict in detail the behavior of U-0.75 Ti alloy when quenched at high temperature (about 850 0 C) in cold water. The code allows one to determine the time- and space-dependent distributions of temperature, residual stress, distortion, and microstructure that evolve during the quenching process. The nonlinear temperature- and microstructure-dependent properties, as well as the cooling rate-dependent heats of transformation, are incorporated into the model. The complex boiling heat transfer with its various regimes and other thermal boundary conditions are simulated. Experiments have been performed and incorporated into the model. Both sudden submersion and gradual controlled immersion can be applied. A parametric and sensitivity study has been performed demonstrating the importance of the thermal boundary conditions applied for achieving certain product characteristics. The thermal aspects of the model and its applications are discussed and demonstrated

  17. Numerical simulations of a horizontal axis water turbine designed for underwater mooring platforms

    Directory of Open Access Journals (Sweden)

    Wenlong Tian

    2016-01-01

    Full Text Available In order to extend the operational life of Underwater Moored Platforms (UMPs, a horizontal axis water turbine is designed to supply energy for the UMPs. The turbine, equipped with controllable blades, can be opened to generate power and charge the UMPs in moored state. Three-dimensional Computational Fluid Dynamics (CFD simulations are performed to study the characteristics of power, thrust and the wake of the turbine. Particularly, the effect of the installation position of the turbine is considered. Simulations are based on the Reynolds Averaged Navier-Stokes (RANS equations and the shear stress transport k-ω turbulent model is utilized. The numerical method is validated using existing experimental data. The simulation results show that this turbine has a maximum power coefficient of 0.327 when the turbine is installed near the tail of the UMP. The flow structure near the blade and in the wake are also discussed.

  18. Water Pollution Scrubber Activity Simulates Pollution Control Devices.

    Science.gov (United States)

    Kennedy, Edward C., III; Waggoner, Todd C.

    2003-01-01

    A laboratory activity caused students to think actively about water pollution. The students realized that it would be easier to keep water clean than to remove pollutants. They created a water scrubbing system allowing them to pour water in one end and have it emerge clean at the other end. (JOW)

  19. Simulator Studies of the Deep Stall

    Science.gov (United States)

    White, Maurice D.; Cooper, George E.

    1965-01-01

    Simulator studies of the deep-stall problem encountered with modern airplanes are discussed. The results indicate that the basic deep-stall tendencies produced by aerodynamic characteristics are augmented by operational considerations. Because of control difficulties to be anticipated in the deep stall, it is desirable that adequate safeguards be provided against inadvertent penetrations.

  20. Preliminary simulation studies of accelerator cavity loading

    International Nuclear Information System (INIS)

    Faehl, R.J.

    1980-06-01

    Two-dimensional simulations of loading effects in a 350 MHz accelerator cavity have been performed. Electron currents of 1-10 kA have been accelerated in 5 MV/m fields. Higher order cavity modes induced by the beam may lead to emittance growth. Operation in an autoaccelerator mode has been studied

  1. 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

  2. Irrigation of grapevines with saline water. II. Mathematical simulation of vine growth and yield

    NARCIS (Netherlands)

    Ben-Asher, J.; Dam, van J.C.; Feddes, R.A.; Jhorar, R.K.

    2006-01-01

    Soil, water, atmosphere and plant (SWAP) model simulates deterministic transport of water and solutes, incorporating a semi-analytical sink function. It enables one to simulate detailed (SAWPd) or simple (SWAPs) crop growth patterns in response to flow patterns in the root zone. The objectives of

  3. PWR secondary water chemistry study

    International Nuclear Information System (INIS)

    Pearl, W.L.; Sawochka, S.G.; Copley, S.E.; Siegwarth, D.P.

    1981-01-01

    Secondary water chemistry studies have been performed at ten operating PWRs for the past several years. The program includes seven PWRs with recirculating U-tube steam generators, and three once-through steam generator (OTSG) PWRs. Program results indicate that during periods of minimal condenser inleakage, condensate polishers do not remove significant quantities of sodium, chloride and sulfate. At higher inlet impurity levels, demineralizer removal efficiencies improve markedly. Corrosion product removal efficiencies generally are 60 to 95% depending on system design and operating practices. Significant quantities of sodium and chloride 'hide out' in steam generators with a portion returning during transients, particularly during plant shutdowns. In OTSG PWRs, a significant portion of the total sodium and chloride transported via the steam is removed with the moisture separator drains (MSD) and returned to the OTSG when MSDs are pumped forward. Partial return of MSDs to the condenser would result in reduced feedwater and steam impurity levels. (author)

  4. Driving Simulator Development and Performance Study

    OpenAIRE

    Juto, Erik

    2010-01-01

    The driving simulator is a vital tool for much of the research performed at theSwedish National Road and Transport Institute (VTI). Currently VTI posses three driving simulators, two high fidelity simulators developed and constructed by VTI, and a medium fidelity simulator from the German company Dr.-Ing. Reiner Foerst GmbH. The two high fidelity simulators run the same simulation software, developed at VTI. The medium fidelity simulator runs a proprietary simulation software. At VTI there is...

  5. PSB-VVER simulation of Kozloduy NPP 'loss of feed water transient'

    Energy Technology Data Exchange (ETDEWEB)

    Groudev, P.P. [Institute for Nuclear Research and Nuclear Energy, Tzarigradsko Shaussee 72, Sofia 1784 (Bulgaria)]. E-mail: pavlinpg@inrne.bas.bg; Stefanova, A.E. [Institute for Nuclear Research and Nuclear Energy, Tzarigradsko Shaussee 72, Sofia 1784 (Bulgaria)]. E-mail: antoanet@inrne.bas.bg; Gencheva, R.V. [Institute for Nuclear Research and Nuclear Energy, Tzarigradsko Shaussee 72, Sofia 1784 (Bulgaria)]. E-mail: roseh@inrne.bas.bg; Pavlova, M.P. [Institute for Nuclear Research and Nuclear Energy, Tzarigradsko Shaussee 72, Sofia 1784 (Bulgaria)]. E-mail: pavlova@inrne.bas.bg

    2005-04-01

    This paper provides a comparison between the PSB test facility experimental results obtained during the simulation of loss of feed water transient (LOFW) and the calculation results received by INRNE computer model of the same test facility. Integral thermal-hydraulic PSB-VVER test facility located at Electrogorsk Research and Engineering Center on NPPs Safety (EREC) was put in operation in 1998. The structure of the test facility allows experimental studies under steady state, transient and accident conditions. RELAP5/MOD3.2 computer code has been used to simulate the loss of feed water transient in a PSB-VVER model. This model was developed at the Institute for Nuclear Research and Nuclear Energy for simulation of loss of feed water transient. The objective of the experiment 'loss of feed water', which has been performed at PSB-VVER test facility is simulation of Kozloduy NPP LOFW transient. One of the main requirements to the experiment scenario has been to reproduce all main events and phenomena that occurred in Kozloduy NPP during the LOFW transient. Analyzing the PSB-VVER test with a RELAP5/MOD3.2 computer code as a standard problem allows investigating the phenomena included in the VVER code validation matrix as 'integral system effects' and 'natural circulation'. For assessment of the RELAP5 capability to predict the 'Integral system effect' phenomenon the following RELAP5 quantities are compared with external trends: the primary pressure and the hot and cold leg temperatures. In order to assess the RELAP5 capability to predict the 'Natural circulation' phenomenon the hot and cold leg temperatures behavior have been investigated. This report was possible through the participation of leading specialists from Kozloduy NPP and with the support of Argonne National Laboratory (ANL), under the International Nuclear Safety Program (INSP) of the United States Department of Energy.

  6. Dam water quality study. Report to Congress

    International Nuclear Information System (INIS)

    1989-05-01

    The objective of the report is to identify water quality effects attributable to the impoundment of water by dams as required by Section 524 of the Water Quality Act of 1987. The document presents a study of water quality effects associated with impoundments in the U.S.A

  7. KE Basin water dispositioning engineering study

    International Nuclear Information System (INIS)

    Hunacek, G.S.; Gahir, S.S.

    1994-01-01

    This engineering study is a feasibility study of KE Basin water treatment to an acceptable level and dispositioning the treated water to Columbia River, ground through ETF or to air through evaporation

  8. Simulation model of pollution spreading in the water bodies affected by mining mill

    Directory of Open Access Journals (Sweden)

    Kalinkina Natalia Mikhailovna

    2015-09-01

    Full Text Available Water bodies of the northern Karelia are polluted by liquid wastes of Kostomukshsky iron ore-dressing mill. The main components of these wastes are potassium ions. The processes of the potassium spreading in lake-river system of the River Kenty were studied using simulation modeling. For water bodies, where chemical observations were not carried out, the reconstruction of data was realized. The parameters of the model (constants of potassium transfer for seven lakes were calculated. These constants reflect the hydrological regime of water bodies and characterize high-speed transfer of potassium in the upstream and downstream, and low transfer rate - in the middle stream. It is shown that the vast majority of potassium (70% is carried out of the system Kenty and enters the lake Srednee Kuito

  9. Root Development of Transplanted Cotton and Simulation of Soil Water Movement under Different Irrigation Methods

    Directory of Open Access Journals (Sweden)

    Hao Zhang

    2017-07-01

    Full Text Available Winter wheat and cotton are the main crops grown on the North China Plain (NCP. Cotton is often transplanted after the winter wheat harvest to solve the competition for cultivated land between winter wheat and cotton, and to ensure that both crops can be harvested on the NCP. However, the root system of transplanted cotton is distorted due to the restrictions of the seedling aperture disk before transplanting. Therefore, the investigation of the deformed root distribution and water uptake in transplanted cotton is essential for simulating soil water movement under different irrigation methods. Thus, a field experiment and a simulation study were conducted during 2013–2015 to explore the deformed roots of transplanted cotton and soil water movement using border irrigation (BI and surface drip irrigation (SDI. The results showed that SDI was conducive to root growth in the shallow root zone (0–30 cm, and that BI was conducive to root growth in the deeper root zone (below 30 cm. SDI is well suited for producing the optimal soil water distribution pattern for the deformed root system of transplanted cotton, and the root system was more developed under SDI than under BI. Comparisons between experimental data and model simulations showed that the HYDRUS-2D model described the soil water content (SWC under different irrigation methods well, with root mean square errors (RMSEs of 0.023 and 0.029 cm3 cm−3 and model efficiencies (EFs of 0.68 and 0.59 for BI and SDI, respectively. Our findings will be very useful for designing an optimal irrigation plan for BI and SDI in transplanted cotton fields, and for promoting the wider use of this planting pattern for cotton transplantation.

  10. The simulation of stratospheric water vapor in the NH summer monsoon regions in a suite of WACCM models

    Science.gov (United States)

    Wang, X.; Wu, Y.; Huang, Y.; Tilmes, S.

    2016-12-01

    Water vapor maxima are found in the upper troposphere lower stratosphere (UTLS) over Asian and North America monsoon regions during Northern Hemisphere (NH) summer months. High concentrations of stratospheric water vapor are associated with the upper-level anticyclonic circulation and they play an important role in the radiative forcing for the climate system. However, discrepancies in the simulation of stratospheric water vapor are found among different models. In this study, we use both observational data: Aura Microwave Limb Sounder satellite observations (MLS), the Modern-Era Retrospective analysis for Research and Applications version 2 (MERRA-2) and chemistry climate model outputs: different configurations of the Whole Atmosphere Community Climate Model (WACCM), including standard configuration of WACCM, WACCM L110, specified chemistry (SC) WACCM and specified dynamics (SD) WACCM. We find that WACCM L110 with finer vertical resolution better simulates the stratospheric water vapor maxima over the summer monsoon regions. To better understand the mechanism, we examine the simulated temperature at around 100 hPa since 100 hPa is known to act as a dehydration mechanism, i.e. the warmer the temperature, the wetter the stratospheric water vapor. We find that both WACCM L110 and SD-WACCM better simulate the temperature at 100 hPa as compared to that of MERRA2. This suggests that improving model vertical resolution and dynamical processes in the UTLS is crucial in simulating the stratospheric water vapor concentrations.

  11. Simulation of ground water contamination by tritium: Application to a Moroccan Site

    International Nuclear Information System (INIS)

    Qassoud, D.; Soufi, I.; Nacir, B.; Ziagos, J.; Demir, Z.; Hajjani, A.

    2006-01-01

    Tritium is a radioactive element. Its movement in the environment depends on the chemical forms that it takes. Tritiated water is one of this forms. The infiltration of tritiated water can causes contamination of the environment and the underground water. In this context, we have taken into account a waste contaminated by Tritium and stored in the surface of the soil. We studied the impact of an infiltration of a unit activity of this radioelement in the Moroccan site of Maamora localized in the Rharb region. The principal objective of the work presented in this paper is to give necessary information for the site environmental surveillance program establishment. The assessment is based on the characteristics of the site considered. It is carried out using the methodology taken into account in the Lawrence Livermore National Laboratory (LLNL) for the pollutant transport simulation in the unsaturated zone (between the soil and underground water). This methodology is based on the mathematical model called NUFT[1,2] witch is a unified suite of multiphase, multicomponent models for numerical solution of non-isothermal flow and transport in porous media with application to subsurface contaminant transport problems. NUFT have been developed in LLNL (Livermore-USA). Considering a quantity of one Curie of Tritium and considering the assumptions of impact assessments of the radioactivity on the Maamora ground water, the concentration of this radionuclide in water, will be lower than 0,4% of the acceptable Tritium limit in water. Taking in to account the physical and hydrogeological characteristics of the site studied and in the basis of the site radiological baseline, the environmental impact of the tritium infiltration into the underground water is negligible for the case studied

  12. PHAST--a program for simulating ground-water flow, solute transport, and multicomponent geochemical reactions

    Science.gov (United States)

    Parkhurst, David L.; Kipp, Kenneth L.; Engesgaard, Peter; Charlton, Scott R.

    2004-01-01

    The computer program PHAST simulates multi-component, reactive solute transport in three-dimensional saturated ground-water flow systems. PHAST is a versatile ground-water flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. PHAST is applicable to the study of natural and contaminated ground-water systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock-water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, density-dependent flow, or waters with high ionic strengths. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux, and leaky conditions, as well as the special cases of rivers and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, gases, surface complexation sites, ion exchange sites, and solid solutions; and (3) kinetic reactions with rates that are a function of solution composition. The aqueous model (elements, chemical reactions, and equilibrium constants), minerals, gases, exchangers, surfaces, and rate expressions may be defined or modified by the user. A number of options are available to save results of simulations to output files. The data may be saved in three formats: a format suitable for viewing with a text editor; a

  13. Coupling a groundwater model with a land surface model to improve water and energy cycle simulation

    Directory of Open Access Journals (Sweden)

    W. Tian

    2012-12-01

    Full Text Available Water and energy cycles interact, making these two processes closely related. Land surface models (LSMs can describe the water and energy cycles on the land surface, but their description of the subsurface water processes is oversimplified, and lateral groundwater flow is ignored. Groundwater models (GWMs describe the dynamic movement of the subsurface water well, but they cannot depict the physical mechanisms of the evapotranspiration (ET process in detail. In this study, a coupled model of groundwater flow with a simple biosphere (GWSiB is developed based on the full coupling of a typical land surface model (SiB2 and a 3-D variably saturated groundwater model (AquiferFlow. In this coupled model, the infiltration, ET and energy transfer are simulated by SiB2 using the soil moisture results from the groundwater flow model. The infiltration and ET results are applied iteratively to drive the groundwater flow model. After the coupled model is built, a sensitivity test is first performed, and the effect of the groundwater depth and the hydraulic conductivity parameters on the ET are analyzed. The coupled model is then validated using measurements from two stations located in shallow and deep groundwater depth zones. Finally, the coupled model is applied to data from the middle reach of the Heihe River basin in the northwest of China to test the regional simulation capabilities of the model.

  14. Effects of 17β-estradiol on emissions of greenhouse gases in simulative natural water body.

    Science.gov (United States)

    Ruan, Aidong; Zhao, Ying; Liu, Chenxiao; Zong, Fengjiao; Yu, Zhongbo

    2015-05-01

    Environmental estrogens are widely spread across the world and are increasingly thought of as serious contaminators. The present study looks at the influence of different concentrations of 17β-estradiol on greenhouse gas emissions (CO2 , CH4 , and N2 O) in simulated systems to explore the relationship between environmental estrogen-pollution and greenhouse gas emissions in natural water bodies. The present study finds that 17β-estradiol pollution in simulated systems has significant promoting effects on the emissions of CH4 and CO2 , although no significant effects on N2 O emissions. The present study indicates that 17β-estradiol has different effects on the different elements cycles; the mechanism of microbial ecology is under review. © 2015 SETAC.

  15. CFD Numerical Simulation of the Complex Turbulent Flow Field in an Axial-Flow Water Pump

    Directory of Open Access Journals (Sweden)

    Wan-You Li

    2014-09-01

    Full Text Available Further optimal design of an axial-flow water pump calls for a thorough recognition of the characteristics of the complex turbulent flow field in the pump, which is however extremely difficult to be measured using the up-to-date experimental techniques. In this study, a numerical simulation procedure based on computational fluid dynamics (CFD was elaborated in order to obtain the fully three-dimensional unsteady turbulent flow field in an axial-flow water pump. The shear stress transport (SST k-ω model was employed in the CFD calculation to study the unsteady internal flow of the axial-flow pump. Upon the numerical simulation results, the characteristics of the velocity field and pressure field inside the impeller region were discussed in detail. The established model procedure in this study may provide guidance to the numerical simulations of turbomachines during the design phase or the investigation of flow and pressure field characteristics and performance. The presented information can be of reference value in further optimal design of the axial-flow pump.

  16. Simulating water and nitrogen loss from an irrigated paddy field under continuously flooded condition with Hydrus-1D model.

    Science.gov (United States)

    Yang, Rui; Tong, Juxiu; Hu, Bill X; Li, Jiayun; Wei, Wenshuo

    2017-06-01

    Agricultural non-point source pollution is a major factor in surface water and groundwater pollution, especially for nitrogen (N) pollution. In this paper, an experiment was conducted in a direct-seeded paddy field under traditional continuously flooded irrigation (CFI). The water movement and N transport and transformation were simulated via the Hydrus-1D model, and the model was calibrated using field measurements. The model had a total water balance error of 0.236 cm and a relative error (error/input total water) of 0.23%. For the solute transport model, the N balance error and relative error (error/input total N) were 0.36 kg ha -1 and 0.40%, respectively. The study results indicate that the plow pan plays a crucial role in vertical water movement in paddy fields. Water flow was mainly lost through surface runoff and underground drainage, with proportions to total input water of 32.33 and 42.58%, respectively. The water productivity in the study was 0.36 kg m -3 . The simulated N concentration results revealed that ammonia was the main form in rice uptake (95% of total N uptake), and its concentration was much larger than for nitrate under CFI. Denitrification and volatilization were the main losses, with proportions to total consumption of 23.18 and 14.49%, respectively. Leaching (10.28%) and surface runoff loss (2.05%) were the main losses of N pushed out of the system by water. Hydrus-1D simulation was an effective method to predict water flow and N concentrations in the three different forms. The study provides results that could be used to guide water and fertilization management and field results for numerical studies of water flow and N transport and transformation in the future.

  17. Pressurized water reactor simulation in the training environment

    International Nuclear Information System (INIS)

    Wills, A.G.

    1990-01-01

    The paper gives a brief history of PWR Simulation within the DNST and an outline of the training courses leading to the requirement for the Display Array Simulation System. Focus is then placed upon the flexible use of real time simulation in the teaching of plant dynamics by the use of model generated data. The use of interactive consoles and a large scale colour graphic display has led to the success of the Display Array Simulation System within the DNST. Realisation of the potential of the system has led to many other proposed uses for the installed system and the paper concludes by discussing some of these. (orig./DG)

  18. Analyzing climate change impacts on water resources under uncertainty using an integrated simulation-optimization approach

    Science.gov (United States)

    Zhuang, X. W.; Li, Y. P.; Nie, S.; Fan, Y. R.; Huang, G. H.

    2018-01-01

    An integrated simulation-optimization (ISO) approach is developed for assessing climate change impacts on water resources. In the ISO, uncertainties presented as both interval numbers and probability distributions can be reflected. Moreover, ISO permits in-depth analyses of various policy scenarios that are associated with different levels of economic consequences when the promised water-allocation targets are violated. A snowmelt-precipitation-driven watershed (Kaidu watershed) in northwest China is selected as the study case for demonstrating the applicability of the proposed method. Results of meteorological projections disclose that the incremental trend of temperature (e.g., minimum and maximum values) and precipitation exist. Results also reveal that (i) the system uncertainties would significantly affect water resources allocation pattern (including target and shortage); (ii) water shortage would be enhanced from 2016 to 2070; and (iii) the more the inflow amount decreases, the higher estimated water shortage rates are. The ISO method is useful for evaluating climate change impacts within a watershed system with complicated uncertainties and helping identify appropriate water resources management strategies hedging against drought.

  19. Global Sensitivity of Simulated Water Balance Indicators Under Future Climate Change in the Colorado Basin

    Science.gov (United States)

    Bennett, Katrina E.; Urrego Blanco, Jorge R.; Jonko, Alexandra; Bohn, Theodore J.; Atchley, Adam L.; Urban, Nathan M.; Middleton, Richard S.

    2018-01-01

    The Colorado River Basin is a fundamentally important river for society, ecology, and energy in the United States. Streamflow estimates are often provided using modeling tools which rely on uncertain parameters; sensitivity analysis can help determine which parameters impact model results. Despite the fact that simulated flows respond to changing climate and vegetation in the basin, parameter sensitivity of the simulations under climate change has rarely been considered. In this study, we conduct a global sensitivity analysis to relate changes in runoff, evapotranspiration, snow water equivalent, and soil moisture to model parameters in the Variable Infiltration Capacity (VIC) hydrologic model. We combine global sensitivity analysis with a space-filling Latin Hypercube Sampling of the model parameter space and statistical emulation of the VIC model to examine sensitivities to uncertainties in 46 model parameters following a variance-based approach. We find that snow-dominated regions are much more sensitive to uncertainties in VIC parameters. Although baseflow and runoff changes respond to parameters used in previous sensitivity studies, we discover new key parameter sensitivities. For instance, changes in runoff and evapotranspiration are sensitive to albedo, while changes in snow water equivalent are sensitive to canopy fraction and Leaf Area Index (LAI) in the VIC model. It is critical for improved modeling to narrow uncertainty in these parameters through improved observations and field studies. This is important because LAI and albedo are anticipated to change under future climate and narrowing uncertainty is paramount to advance our application of models such as VIC for water resource management.

  20. A Two-Continua Approach to Eulerian Simulation of Water Spray

    DEFF Research Database (Denmark)

    Nielsen, Michael Bang; Østerby, Ole

    2013-01-01

    Physics based simulation of the dynamics of water spray - water droplets dispersed in air - is a means to increase the visual plausibility of computer graphics modeled phenomena such as waterfalls, water jets and stormy seas. Spray phenomena are frequently encountered by the visual effects industry...

  1. Simulation of the Regional Ground-Water-Flow System and Ground-Water/Surface-Water Interaction in the Rock River Basin, Wisconsin

    Science.gov (United States)

    Juckem, Paul F.

    2009-01-01

    A regional, two-dimensional, areal ground-water-flow model was developed to simulate the ground-water-flow system and ground-water/surface-water interaction in the Rock River Basin. The model was developed by the U.S. Geological Survey (USGS), in cooperation with the Rock River Coalition. The objectives of the regional model were to improve understanding of the ground-water-flow system and to develop a tool suitable for evaluating the effects of potential regional water-management programs. The computer code GFLOW was used because of the ease with which the model can simulate ground-water/surface-water interactions, provide a framework for simulating regional ground-water-flow systems, and be refined in a stepwise fashion to incorporate new data and simulate ground-water-flow patterns at multiple scales. The ground-water-flow model described in this report simulates the major hydrogeologic features of the modeled area, including bedrock and surficial aquifers, ground-water/surface-water interactions, and ground-water withdrawals from high-capacity wells. The steady-state model treats the ground-water-flow system as a single layer with hydraulic conductivity and base elevation zones that reflect the distribution of lithologic groups above the Precambrian bedrock and a regionally significant confining unit, the Maquoketa Formation. In the eastern part of the Basin where the shale-rich Maquoketa Formation is present, deep ground-water flow in the sandstone aquifer below the Maquoketa Formation was not simulated directly, but flow into this aquifer was incorporated into the GFLOW model from previous work in southeastern Wisconsin. Recharge was constrained primarily by stream base-flow estimates and was applied uniformly within zones guided by regional infiltration estimates for soils. The model includes average ground-water withdrawals from 1997 to 2006 for municipal wells and from 1997 to 2005 for high-capacity irrigation, industrial, and commercial wells. In addition

  2. Simulation of stratospheric water vapor trends: impact on stratospheric ozone chemistry

    Directory of Open Access Journals (Sweden)

    A. Stenke

    2005-01-01

    Full Text Available A transient model simulation of the 40-year time period 1960 to 1999 with the coupled climate-chemistry model (CCM ECHAM4.L39(DLR/CHEM shows a stratospheric water vapor increase over the last two decades of 0.7 ppmv and, additionally, a short-term increase after major volcanic eruptions. Furthermore, a long-term decrease in global total ozone as well as a short-term ozone decline in the tropics after volcanic eruptions are modeled. In order to understand the resulting effects of the water vapor changes on lower stratospheric ozone chemistry, different perturbation simulations were performed with the CCM ECHAM4.L39(DLR/CHEM feeding the water vapor perturbations only to the chemistry part. Two different long-term perturbations of lower stratospheric water vapor, +1 ppmv and +5 ppmv, and a short-term perturbation of +2 ppmv with an e-folding time of two months were applied. An additional stratospheric water vapor amount of 1 ppmv results in a 5–10% OH increase in the tropical lower stratosphere between 100 and 30 hPa. As a direct consequence of the OH increase the ozone destruction by the HOx cycle becomes 6.4% more effective. Coupling processes between the HOx-family and the NOx/ClOx-family also affect the ozone destruction by other catalytic reaction cycles. The NOx cycle becomes 1.6% less effective, whereas the effectiveness of the ClOx cycle is again slightly enhanced. A long-term water vapor increase does not only affect gas-phase chemistry, but also heterogeneous ozone chemistry in polar regions. The model results indicate an enhanced heterogeneous ozone depletion during antarctic spring due to a longer PSC existence period. In contrast, PSC formation in the northern hemisphere polar vortex and therefore heterogeneous ozone depletion during arctic spring are not affected by the water vapor increase, because of the less PSC activity. Finally, this study shows that 10% of the global total ozone decline in the transient model run

  3. Hydrogeology and simulation of the effects of reclaimed-water application in west Orange and southeast Lake counties, Florida

    Science.gov (United States)

    O'Reilly, Andrew M.

    1998-01-01

    aquifer to the north and east. Many of the lakes in the study area are landlocked because the mantled karst environment precludes a well developed network of surface-water drainage. The USGS three-dimensional ground-water flow model MODFLOW was used to simulate ground-water flow in the surficial and Floridan aquifer systems. A steady-state calibration to average 1995 conditions was performed by using a parameter estimation program to vary values of surficial aquifer system hydraulic conductivity, intermediate confining unit leakance, and Upper Floridan aquifer transmissivity. The calibrated model generally produced simulated water levels in close agreement with measured water levels and was used to simulate the hydrologic effects of reclaimed-water application under current (1995) and proposed future conditions. In 1995, increases of up to about 40 ft in the water table and less than 5 ft in the Upper Floridan aquifer potentiometric surface had occurred as a result of reclaimed-water application. The largest increases were under RIB sites. An average traveltime of 10 years at Water Conserv II and 7 years at the RCID RIBs was required for reclaimed water to move from the water table to the top of the Upper Floridan aquifer. Approximately 67 percent of the reclaimed water applied at the RCID RIB site recharged the Floridan aquifer system, whereas 33 percent discharged from the surficial aquifer system to surface-water features; 99 percent of the reclaimed water applied at Water Conserv II recharged the Floridan aquifer system, whereas only 1 percent discharged from the surficial aquifer system to surface-water features. The majority of reclaimed water applied at both facilities probably will ultimately discharge from the Floridan aquifer system outside the model boundaries. Proposed future conditions were assumed to consist of an additional 11.7 Mgal/d of reclaimed water distributed by the Water Conserv II and RCID facilities. Increases of up to about 20 ft in the water

  4. Simulating the Water Use of Thermoelectric Power Plants in the United States: Model Development and Verification

    Science.gov (United States)

    Betrie, G.; Yan, E.; Clark, C.

    2016-12-01

    Thermoelectric power plants use the highest amount of freshwater second to the agriculture sector. However, there is scarcity of information that characterizes the freshwater use of these plants in the United States. This could be attributed to the lack of model and data that are required to conduct analysis and gain insights. The competition for freshwater among sectors will increase in the future as the amount of freshwater gets limited due climate change and population growth. A model that makes use of less data is urgently needed to conduct analysis and identify adaptation strategies. The objectives of this study are to develop a model and simulate the water use of thermoelectric power plants in the United States. The developed model has heat-balance, climate, cooling system, and optimization modules. It computes the amount of heat rejected to the environment, estimates the quantity of heat exchanged through latent and sensible heat to the environment, and computes the amount of water required per unit generation of electricity. To verify the model, we simulated a total of 876 fossil-fired, nuclear and gas-turbine power plants with different cooling systems (CS) using 2010-2014 data obtained from Energy Information Administration. The CS includes once-through with cooling pond, once-through without cooling ponds, recirculating with induced draft and recirculating with induced draft natural draft. The results show that the model reproduced the observed water use per unit generation of electricity for the most of the power plants. It is also noticed that the model slightly overestimates the water use during the summer period when the input water temperatures are higher. We are investigating the possible reasons for the overestimation and address it in the future work. The model could be used individually or coupled to regional models to analyze various adaptation strategies and improve the water use efficiency of thermoelectric power plants.

  5. Three-dimensional simulation of a rock slide impact into water

    Science.gov (United States)

    Weaver, R.; Gisler, G.; Gittings, M.; Ranta, D.

    2007-12-01

    The steep-sided fjords of western Norway have experienced numerous rock slide events that sometimes produced devastating tsunamis. The 1934 slide in the Tafjord region, when some 3 million cubic meters of rock plunged into the water, resulted in waves tens of meters high that destroyed two villages and killed about 40 people. A similarly dangerous situation exists now in Sunnylvsfjord, where a major expanding crack in the fjord wall at Aknes threatens to release from 5 to 40 million cubic meters of rock into the water. Such an event would devastate a large region, including the Geiranger Fjord, a UN World Heritage Site that is extremely popular with tourists. The Norwegian Government's Aknes-Tafjord project is responsible for studying and monitoring the potential slide area and for providing adequate warning to protect lives and property. In order to better understand tsunami generation from such events, we have performed 3-dimensional fully compressible hydrodynamical simulations of the impact of a large number of boulders from a steep slope into a deep body of water. We use the Los Alamos/SAIC adaptive-mesh-refined SAGE code, previously used to model tsunamis from underwater explosions, asteroid impacts, and both subaqueous and subaerial landslide sources. We find the interaction of boulders and water to be extremely turbulent and dissipative. It differs markedly from simulations of large-block impacts in similar geometry. No more than about 15% of the potential energy of the boulders ends up in the water wave. The rest of the energy goes into heating the boulders (and presumably fragmenting them, though that physics is not included) into generating winds, heating air and water, and generating turbulence. In the near field, the waves produced by the impact can be quite high -- tens of meters -- and have the potential to devastate coastlines at substantial distances from the site along a narrow fjord system.

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

    Science.gov (United States)

    Glazer, Russell H.; Misra, Vasubandhu

    2018-02-01

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

  7. Temperature distribution analysis of tissue water vaporization during microwave ablation: experiments and simulations.

    Science.gov (United States)

    Ai, Haiming; Wu, Shuicai; Gao, Hongjian; Zhao, Lei; Yang, Chunlan; Zeng, Yi

    2012-01-01

    The temperature distribution in the region near a microwave antenna is a critical factor that affects the entire temperature field during microwave ablation of tissue. It is challenging to predict this distribution precisely, because the temperature in the near-antenna region varies greatly. The effects of water vaporisation and subsequent tissue carbonisation in an ex vivo porcine liver were therefore studied experimentally and in simulations. The enthalpy and high-temperature specific absorption rate (SAR) of liver tissues were calculated and incorporated into the simulation process. The accuracy of predictions for near-field temperatures in our simulations has reached the level where the average maximum error is less than 5°C. In addition, a modified thermal model that accounts for water vaporisation and the change in the SAR distribution pattern is proposed and validated with experiment. The results from this study may be useful in the clinical practice of microwave ablation and can be applied to predict the temperature field in surgical planning.

  8. Simulation of small break loss of coolant accident in pressurized water reactor (PWR)

    International Nuclear Information System (INIS)

    Abass, N. M. N.

    2012-02-01

    A major safety concern in pressurized-water-reactor (PWR) design is the loss-of-coolant accident (LOCA),in which a break in the primary coolant circuit leads to depressurization, boiling of the coolant, consequent reduced cooling of the reactor core, and , unless remedial measures are taken, overheating of the fuel rods. This concern has led to the development of several simulators for safety analysis. This study demonstrates how the passive and active safety systems in conventional and advanced PWR behave during the small break loss of Coolant Accident (SBLOCA). The consequences of SBOLOCA have been simulated using IAEA Generic pressurized Water Reactor Simulator (GPWRS) and personal Computer Transient analyzer (PCTRAN) . The results were presented and discussed. The study has confirmed the major safety advantage of passive plants versus conventional PWRs is that the passive safety systems provide long-term core cooling and decay heat removal without the need for operator actions and without reliance on active safety-related system. (Author)

  9. Ab initio van der waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like

    DEFF Research Database (Denmark)

    Møgelhøj, Andreas; Kelkkanen, Kari André; Wikfeldt, K Thor

    2011-01-01

    The structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations in the NVE ensemble using van der Waals (vdW) density-functional theory, i.e., using the new exchange-correlation functionals optPBE-vdW and vdW-DF2, where the latter has softer nonlocal...... protocol could cause the deviation. An O-O PCF consisting of a linear combination of 70% from vdW-DF2 and 30% from low-density liquid water, as extrapolated from experiments, reproduces near-quantitatively the experimental O-O PCF for ambient water. This suggests the possibility that the new functionals...... shows some resemblance with experiment for high-density water ( Soper , A. K. and Ricci , M. A. Phys. Rev. Lett. 2000 , 84 , 2881 ), but not directly with experiment for ambient water. Considering the accuracy of the new functionals for interaction energies, we investigate whether the simulation...

  10. Ice and water droplets on graphite: A comparison of quantum and classical simulations

    International Nuclear Information System (INIS)

    Ramírez, Rafael; Singh, Jayant K.; Müller-Plathe, Florian; Böhm, Michael C.

    2014-01-01

    Ice and water droplets on graphite have been studied by quantum path integral and classical molecular dynamics simulations. The point-charge q-TIP4P/F potential was used to model the interaction between flexible water molecules, while the water-graphite interaction was described by a Lennard-Jones potential previously used to reproduce the macroscopic contact angle of water droplets on graphite. Several energetic and structural properties of water droplets with sizes between 10 2 and 10 3 molecules were analyzed in a temperature interval of 50–350 K. The vibrational density of states of crystalline and amorphous ice drops was correlated to the one of ice Ih to assess the influence of the droplet interface and molecular disorder on the vibrational properties. The average distance of covalent OH bonds is found 0.01 Å larger in the quantum limit than in the classical one. The OO distances are elongated by 0.03 Å in the quantum simulations at 50 K. Bond distance fluctuations are large as a consequence of the zero-point vibrations. The analysis of the H-bond network shows that the liquid droplet is more structured in the classical limit than in the quantum case. The average kinetic and potential energy of the ice and water droplets on graphite has been compared with the values of ice Ih and liquid water as a function of temperature. The droplet kinetic energy shows a temperature dependence similar to the one of liquid water, without apparent discontinuity at temperatures where the droplet is solid. However, the droplet potential energy becomes significantly larger than the one of ice or water at the same temperature. In the quantum limit, the ice droplet is more expanded than in a classical description. Liquid droplets display identical density profiles and liquid-vapor interfaces in the quantum and classical limits. The value of the contact angle is not influenced by quantum effects. Contact angles of droplets decrease as the size of the water droplet increases

  11. Simulation of Ground-Water Flow and Effects of Ground-Water Irrigation on Base Flow in the Elkhorn and Loup River Basins, Nebraska

    Science.gov (United States)

    Peterson, Steven M.; Stanton, Jennifer S.; Saunders, Amanda T.; Bradley, Jesse R.

    2008-01-01

    Irrigated agriculture is vital to the livelihood of communities in the Elkhorn and Loup River Basins in Nebraska, and ground water is used to irrigate most of the cropland. Concerns about the sustainability of ground-water and surface-water resources have prompted State and regional agencies to evaluate the cumulative effects of ground-water irrigation in this area. To facilitate understanding of the effects of ground-water irrigation, a numerical computer model was developed to simulate ground-water flow and assess the effects of ground-water irrigation (including ground-water withdrawals, hereinafter referred to as pumpage, and enhanced recharge) on stream base flow. The study area covers approximately 30,800 square miles, and includes the Elkhorn River Basin upstream from Norfolk, Nebraska, and the Loup River Basin upstream from Columbus, Nebraska. The water-table aquifer consists of Quaternary-age sands and gravels and Tertiary-age silts, sands, and gravels. The simulation was constructed using one layer with 2-mile by 2-mile cell size. Simulations were constructed to represent the ground-water system before 1940 and from 1940 through 2005, and to simulate hypothetical conditions from 2006 through 2045 or 2055. The first simulation represents steady-state conditions of the system before anthropogenic effects, and then simulates the effects of early surface-water development activities and recharge of water leaking from canals during 1895 to 1940. The first simulation ends at 1940 because before that time, very little pumpage for irrigation occurred, but after that time it became increasingly commonplace. The pre-1940 simulation was calibrated against measured water levels and estimated long-term base flow, and the 1940 through 2005 simulation was calibrated against measured water-level changes and estimated long-term base flow. The calibrated 1940 through 2005 simulation was used as the basis for analyzing hypothetical scenarios to evaluate the effects of

  12. Simulation of gas hydrogen diffusion through partially water saturated mono-modal materials

    International Nuclear Information System (INIS)

    Boher, C.; Lorente, S.; Frizon, F.; Bart, F.

    2012-01-01

    Concerning the disposal of nuclear wastes, it is important to design concrete envelopes with pore networks that allow the diffusion of hydrogen towards the outside. This work documents the relationship between geo-polymers, which are materials with a quasi mono-modal pore network, and their gaseous diffusivity capacities. Using a mono-modal material allows studying a specific pore size contribution to gaseous diffusion. The pore network is characterized by mercury porosimetry. These experimental results are used as data in a model named MOHYCAN. The modeling work consists of creating a virtual pore network. Then, water layers are deposited in this network to simulate variable water saturation levels. Finally hydrogen is transported through the virtual network using a combination of ordinary diffusion and Knudsen diffusion. MOHYCAN calculates the hydrogen diffusion coefficient for water saturation degree from 0% to 100%. The impacts of the pore network arrangement or the pore network discretization have been studied. The results are, for a quasi mono-modal material: -) the diffusion coefficient is not sensitive to different virtual pore network arrangement; -) the diffusion coefficient values have a sharp drop at specific water saturation (this is due to the water saturation of the main and unique pore family); -) a 2 pores family based model is sufficient to represent the pore network. Theses observations will not be valid if we consider a material with a large pore size distribution, like cementitious materials

  13. ICPP water inventory study progress report

    International Nuclear Information System (INIS)

    Richards, B.T.

    1993-05-01

    Recent data from the Idaho Chemical Processing Plant (ICPP) indicate that water is entering the sumps located in the bottom of Tank Firm Vaults in quantities that exceed expected levels. In addition, perched water body(s) exist beneath the northern portion of the ICPP. Questions have been raised concerning the origin of water entering the Tank Farm sumps and the recharge sources for the perched water bodies. Therefore, in an effort to determine the source of water, a project has been initiated to identify the source of water for Tank Farm sumps and the perched water bodies. In addition, an accurate water balance for the ICPP will be developed. The purpose of this report is to present the specific results and conclusions for the ICPP water balance portion of the study. In addition, the status of the other activities being conducted as part of study, along with the associated action plans, is provided

  14. ICPP water inventory study progress report

    Energy Technology Data Exchange (ETDEWEB)

    Richards, B.T.

    1993-05-01

    Recent data from the Idaho Chemical Processing Plant (ICPP) indicate that water is entering the sumps located in the bottom of Tank Firm Vaults in quantities that exceed expected levels. In addition, perched water body(s) exist beneath the northern portion of the ICPP. Questions have been raised concerning the origin of water entering the Tank Farm sumps and the recharge sources for the perched water bodies. Therefore, in an effort to determine the source of water, a project has been initiated to identify the source of water for Tank Farm sumps and the perched water bodies. In addition, an accurate water balance for the ICPP will be developed. The purpose of this report is to present the specific results and conclusions for the ICPP water balance portion of the study. In addition, the status of the other activities being conducted as part of study, along with the associated action plans, is provided.

  15. Molecular Dynamics Simulation Studies of Caffeine Aggregation in Aqueous Solution

    OpenAIRE

    Tavagnacco, Letizia; Schnupf, Udo; Mason, Philip E.; Saboungi, Marie-Louise; Cesàro, Attilio; Brady, John W.

    2011-01-01

    Molecular dynamics simulations were carried out on a system of eight independent caffeine molecules in a periodic box of water at 300 K, representing a solution near the solubility limit for caffeine at room temperature, using a newly-developed CHARMM-type force field for caffeine in water. Simulations were also conducted for single caffeine molecules in water using two different water models (TIP3P and TIP4P). Water was found to structure in a complex fashion around the planar caffeine molec...

  16. Uncertainty of Wheat Water Use: Simulated Patterns and Sensitivity to Temperature and CO2

    Science.gov (United States)

    Cammarano, Davide; Roetter, Reimund P.; Asseng, Senthold; Ewert, Frank; Wallach, Daniel; Martre, Pierre; Hatfield, Jerry L.; Jones, James W.; Rosenzweig, Cynthia E.; Ruane, Alex C.; hide

    2016-01-01

    Projected global warming and population growth will reduce future water availability for agriculture. Thus, it is essential to increase the efficiency in using water to ensure crop productivity. Quantifying crop water use (WU; i.e. actual evapotranspiration) is a critical step towards this goal. Here, sixteen wheat simulation models were used to quantify sources of model uncertainty and to estimate the relative changes and variability between models for simulated WU, water use efficiency (WUE, WU per unit of grain dry mass produced), transpiration efficiency (Teff, transpiration per kg of unit of grain yield dry mass produced), grain yield, crop transpiration and soil evaporation at increased temperatures and elevated atmospheric carbon dioxide concentrations ([CO2]). The greatest uncertainty in simulating water use, potential evapotranspiration, crop transpiration and soil evaporation was due to differences in how crop transpiration was modelled and accounted for 50 of the total variability among models. The simulation results for the sensitivity to temperature indicated that crop WU will decline with increasing temperature due to reduced growing seasons. The uncertainties in simulated crop WU, and in particularly due to uncertainties in simulating crop transpiration, were greater under conditions of increased temperatures and with high temperatures in combination with elevated atmospheric [CO2] concentrations. Hence the simulation of crop WU, and in particularly crop transpiration under higher temperature, needs to be improved and evaluated with field measurements before models can be used to simulate climate change impacts on future crop water demand.

  17. Army Overseas Water Sustainability Study

    Science.gov (United States)

    2011-06-01

    advertising , publication, or promotional purposes. Citation of trade names does not constitute an official endorsement or approval of the use of such...References 2030 Water Resources Group. 2009. Charting our water future: Economic frameworks to inform decision-making. The Barilla Group, The Coca ... Cola Company, The International Finance Corporation, McKinsey & Company, Nestle S.A., New Holland Agriculture, SABMiller plc, Standard Chartered Bank

  18. Ethylene glycol intercalation in smectites. molecular dynamics simulation studies

    International Nuclear Information System (INIS)

    Szczerba, Marek; Klapyta, Zenon; Kalinichev, Andrey

    2012-01-01

    Document available in extended abstract form only. Intercalation of ethylene glycol in smectites (glycolation) is widely used to discriminate smectites and vermiculites from other clays and among themselves. During this process, ethylene glycol molecules enter into the interlayer spaces of the swelling clays, leading to the formation of two-layer structure (∼17 A) in the case of smectites, or one-layer structure (∼14 A) in the case of vermiculites. In spite of the relatively broad literature on the understanding/characterization of ethylene glycol/water-clays complexes, the simplified structure of this complex presented by Reynolds (1965) is still used in the contemporary X-ray diffraction computer programs, which simulate structures of smectite and illite-smectite. The monolayer structure is only approximated using the assumption of the interlayer cation and ethylene glycol molecules lying in the middle of interlayer spaces. This study was therefore undertaken to investigate the structure of ethylene glycol/water-clays complex in more detail using molecular dynamics simulation. The structural models of smectites were built on the basis of pyrophyllite crystal structure (Lee and Guggenheim, 1981), with substitution of particular atoms. In most of simulations, the structural model assumed the following composition, considered as the most common in the mixed layer illite-smectites: EXCH 0.4 (Si 3.96 Al 0.04 )(Al 1.46 Fe 0.17 Mg 0.37 )O 10 (OH) 2 Atoms of the smectites were described with CLAYFF force field (Cygan et al., 2004), while atoms of water and ethylene glycol with flexible SPC and OPLS force fields, respectively. Ewald summation was used to calculate long range Coulombic interactions and the cutoff was set at 8.5 A. Results of the simulations show that in the two-layer glycolate the content of water is relatively small: up to 0.8 H 2 O per half of the smectite unit cell. Clear thermodynamic preference of mono- or two-layer structure of the complex is

  19. Changes in the Optical Properties of Simulated Shuttle Waste Water Deposits: Urine Darkening

    Science.gov (United States)

    Albyn, Keith; Edwards, David; Alred, John

    2003-01-01

    Manned spacecraft have historically dumped the crew generated waste water overboard, into the environment in which the spacecraft operates, sometimes depositing the waste water on the external spacecraft surfaces. The change in optical properties of wastewater deposited on spacecraft external surfaces, from exposure to space environmental effects, is not well understood. This study used nonvolatile residue (NVR) from Human Urine to simulate wastewater deposits and documents the changes in the optical properties of the NVR deposits after exposure to ultra violet(UV)radiation. Twenty four NVR samples of, 0-angstromes/sq cm to 1000-angstromes/sq cm, and one sample contaminated with 1 to 2-mg/sq cm were exposed to UV radiation over the course of approximately 6151 equivalent sun hours (ESH). Random changes in sample mass, NVR, solar absorbance, and infrared emission were observed during the study. Significant changes in the UV transmittance were observed for one sample contaminated at the mg/sq cm level.

  20. Feedback mechanisms between water availability and water use in a semi-arid river basin: a geographically explicit multi-agent simulation approach

    NARCIS (Netherlands)

    van Oel, P.R.; Krol, Martinus S.; Hoekstra, Arjen Ysbert; Taddei, Renzo R.

    2010-01-01

    Understanding the processes responsible for the distribution of water availability over space and time is of great importance to spatial planning in a semi-arid river basin. In this study the usefulness of a multi-agent simulation (MAS) approach for representing these processes is discussed. A MAS

  1. Process simulation of heavy water plants - a powerful analytical tool

    International Nuclear Information System (INIS)

    Miller, A.I.

    1978-10-01

    The commercially conscious designs of Canadian GS (Girdler-Sulphide) have proved sensitive to process conditions. That, combined with the large scale of our units, has meant that computer simulation of their behaviour has been a natural and profitable development. Atomic Energy of Canada Limited has developed a family of steady state simulations to describe all of the Canadian plants. Modelling of plant conditions has demonstrated that the simulation description is very precise and it has become an integral part of the industry's assessments of both plant operation and decisions on capital expenditures. The simulation technique has also found extensive use in detailed designing of both the rehabilitated Glace Bay and the new La Prade plants. It has opened new insights into plant design and uncovered a radical and significant flowsheet change for future designs as well as many less dramatic but valuable lesser changes. (author)

  2. Assessing winter cover crop nutrient uptake efficiency using a water quality simulation model

    Science.gov (United States)

    Yeo, I.-Y.; Lee, S.; Sadeghi, A. M.; Beeson, P. C.; Hively, W. D.; McCarty, G. W.; Lang, M. W.

    2014-12-01

    Winter cover crops are an effective conservation management practice with potential to improve water quality. Throughout the Chesapeake Bay watershed (CBW), which is located in the mid-Atlantic US, winter cover crop use has been emphasized, and federal and state cost-share programs are available to farmers to subsidize the cost of cover crop establishment. The objective of this study was to assess the long-term effect of planting winter cover crops to improve water quality at the watershed scale (~ 50 km2) and to identify critical source areas of high nitrate export. A physically based watershed simulation model, Soil and Water Assessment Tool (SWAT), was calibrated and validated using water quality monitoring data to simulate hydrological processes and agricultural nutrient cycling over the period of 1990-2000. To accurately simulate winter cover crop biomass in relation to growing conditions, a new approach was developed to further calibrate plant growth parameters that control the leaf area development curve using multitemporal satellite-based measurements of species-specific winter cover crop performance. Multiple SWAT scenarios were developed to obtain baseline information on nitrate loading without winter cover crops and to investigate how nitrate loading could change under different winter cover crop planting scenarios, including different species, planting dates, and implementation areas. The simulation results indicate that winter cover crops have a negligible impact on the water budget but significantly reduce nitrate leaching to groundwater and delivery to the waterways. Without winter cover crops, annual nitrate loading from agricultural lands was approximately 14 kg ha-1, but decreased to 4.6-10.1 kg ha-1 with cover crops resulting in a reduction rate of 27-67% at the watershed scale. Rye was the most effective species, with a potential to reduce nitrate leaching by up to 93% with early planting at the field scale. Early planting of cover crops (~ 30

  3. Using CONFIG for Simulation of Operation of Water Recovery Subsystems for Advanced Control Software Evaluation

    Science.gov (United States)

    Malin, Jane T.; Flores, Luis; Fleming, Land; Throop, Daiv

    2002-01-01

    A hybrid discrete/continuous simulation tool, CONFIG, has been developed to support evaluation of the operability life support systems. CON FIG simulates operations scenarios in which flows and pressures change continuously while system reconfigurations occur as discrete events. In simulations, intelligent control software can interact dynamically with hardware system models. CONFIG simulations have been used to evaluate control software and intelligent agents for automating life support systems operations. A CON FIG model of an advanced biological water recovery system has been developed to interact with intelligent control software that is being used in a water system test at NASA Johnson Space Center

  4. Integrated water system simulation by considering hydrological and biogeochemical processes: model development, with parameter sensitivity and autocalibration

    Science.gov (United States)

    Zhang, Y. Y.; Shao, Q. X.; Ye, A. Z.; Xing, H. T.; Xia, J.

    2016-02-01

    Integrated water system modeling is a feasible approach to understanding severe water crises in the world and promoting the implementation of integrated river basin management. In this study, a classic hydrological model (the time variant gain model: TVGM) was extended to an integrated water system model by coupling multiple water-related processes in hydrology, biogeochemistry, water quality, and ecology, and considering the interference of human activities. A parameter analysis tool, which included sensitivity analysis, autocalibration and model performance evaluation, was developed to improve modeling efficiency. To demonstrate the model performances, the Shaying River catchment, which is the largest highly regulated and heavily polluted tributary of the Huai River basin in China, was selected as the case study area. The model performances were evaluated on the key water-related components including runoff, water quality, diffuse pollution load (or nonpoint sources) and crop yield. Results showed that our proposed model simulated most components reasonably well. The simulated daily runoff at most regulated and less-regulated stations matched well with the observations. The average correlation coefficient and Nash-Sutcliffe efficiency were 0.85 and 0.70, respectively. Both the simulated low and high flows at most stations were improved when the dam regulation was considered. The daily ammonium-nitrogen (NH4-N) concentration was also well captured with the average correlation coefficient of 0.67. Furthermore, the diffuse source load of NH4-N and the corn yield were reasonably simulated at the administrative region scale. This integrated water system model is expected to improve the simulation performances with extension to more model functionalities, and to provide a scientific basis for the implementation in integrated river basin managements.

  5. Relationships between water table and model simulated ET

    Science.gov (United States)

    Prem B. Parajuli; Gretchen F. Sassenrath; Ying Ouyang

    2013-01-01

    This research was conducted to develop relationships among evapotranspiration (ET), percolation (PERC), groundwater discharge to the stream (GWQ), and water table fluctuations through a modeling approach. The Soil and Water Assessment Tool (SWAT) hydrologic and crop models were applied in the Big Sunflower River watershed (BSRW; 7660 km2) within the Yazoo River Basin...

  6. A one-dimensional model for simulating soil water movement ...

    African Journals Online (AJOL)

    ... regression analysis revealed the relati-onship to be exponential. The values of calculated and measured soil water content and total evapotranspiration decreased with number of days after rain or irrigation. The nodal soil water content also decreased with the soil depth. (Journal of Applied Science and Technology: 2001 ...

  7. Mobile-ip Aeronautical Network Simulation Study

    Science.gov (United States)

    Ivancic, William D.; Tran, Diepchi T.

    2001-01-01

    NASA is interested in applying mobile Internet protocol (mobile-ip) technologies to its space and aeronautics programs. In particular, mobile-ip will play a major role in the Advanced Aeronautic Transportation Technology (AATT), the Weather Information Communication (WINCOMM), and the Small Aircraft Transportation System (SATS) aeronautics programs. This report presents the results of a simulation study of mobile-ip for an aeronautical network. The study was performed to determine the performance of the transmission control protocol (TCP) in a mobile-ip environment and to gain an understanding of how long delays, handoffs, and noisy channels affect mobile-ip performance.

  8. Simulation of water-rock interaction in the yellowstone geothermal system using TOUGHREACT

    International Nuclear Information System (INIS)

    Dobson, P.F.; Salah, S.; Spycher, N.; Sonnenthal, E.

    2003-01-01

    The Yellowstone geothermal system provides an ideal opportunity to test the ability of reactive transport models to accurately simulate water-rock interaction. Previous studies of the Yellowstone geothermal system have characterized water-rock interaction through analysis of rocks and fluids obtained from both surface and downhole samples. Fluid chemistry, rock mineralogy, permeability, porosity, and thermal data obtained from the Y-8 borehole in Upper Geyser Basin were used to constrain a series of reactive transport simulations of the Yellowstone geothermal system using TOUGHREACT. Three distinct stratigraphic units were encountered in the 153.4 m deep Y-8 drill core: volcaniclastic sandstone, perlitic rhyolitic lava, and nonwelded pumiceous tuff. The main alteration phases identified in the Y-8 core samples include clay minerals, zeolites, silica polymorphs, adularia, and calcite. Temperatures observed in the Y-8 borehole increase with depth from sub-boiling conditions at the surface to a maximum of 169.8 C at a depth of 104.1 m, with near-isothermal conditions persisting down to the well bottom. 1-D models of the Y-8 core hole were constructed to determine if TOUGHREACT could accurately predict the observed alteration mineral assemblage given the initial rock mineralogy and observed fluid chemistry and temperatures. Preliminary simulations involving the perlitic rhyolitic lava unit are consistent with the observed alteration of rhyolitic glass to form celadonite

  9. Simulating Exposure Concentrations of Engineered Nanomaterials in Surface Water Systems: Release of WASP8

    Science.gov (United States)

    Knightes, C. D.; Bouchard, D.; Zepp, R. G.; Henderson, W. M.; Han, Y.; Hsieh, H. S.; Avant, B. K.; Acrey, B.; Spear, J.

    2017-12-01

    The unique properties of engineered nanomaterials led to their increased production and potential release into the environment. Currently available environmental fate models developed for traditional contaminants are limited in their ability to simulate nanomaterials' environmental behavior. This is due to an incomplete understanding and representation of the processes governing nanomaterial distribution in the environment and by scarce empirical data quantifying the interaction of nanomaterials with environmental surfaces. The well-known Water Quality Analysis Simulation Program (WASP) was updated to incorporate nanomaterial-specific processes, specifically hetero-aggregation with particulate matter. In parallel with this effort, laboratory studies were used to quantify parameter values parameters necessary for governing processes in surface waters. This presentation will discuss the recent developments in the new architecture for WASP8 and the newly constructed Advanced Toxicant Module. The module includes advanced algorithms for increased numbers of state variables: chemicals, solids, dissolved organic matter, pathogens, temperature, and salinity. This presentation will focus specifically on the incorporation of nanomaterials, with the applications of the fate and transport of hypothetical releases of Multi-Walled Carbon Nanotubes (MWCNT) and Graphene Oxide (GO) into the headwaters of a southeastern US coastal plains river. While this presentation focuses on nanomaterials, the advanced toxicant module can also simulate metals and organic contaminants.

  10. PWR secondary water chemistry study

    International Nuclear Information System (INIS)

    Pearl, W.L.; Sawochka, S.G.

    1977-02-01

    Several types of corrosion damage are currently chronic problems in PWR recirculating steam generators. One probable cause of damage is a local high concentration of an aggressive chemical even though only trace levels are present in feedwater. A wide variety of trace chemicals can find their way into feedwater, depending on the sources of condenser cooling water and the specific feedwater treatment. In February 1975, Nuclear Water and Waste Technology Corporation (NWT), was contracted to characterize secondary system water chemistry at five operating PWRs. Plants were selected to allow effects of cooling water chemistry and operating history on steam generator corrosion to be evaluated. Calvert Cliffs 1, Prairie Island 1 and 2, Surry 2, and Turkey Point 4 were monitored during the program. Results to date in the following areas are summarized: (1) plant chemistry variations during normal operation, transients, and shutdowns; (2) effects of condenser leakage on steam generator chemistry; (3) corrosion product transport during all phases of operation; (4) analytical prediction of chemistry in local areas from bulk water chemistry measurements; and (5) correlation of corrosion damage to chemistry variation

  11. Future change of water vaiables from HadGEM2-AO simulation

    Science.gov (United States)

    Kim, Moon-Hyun; Kang, Hyun-Suk; Lee, Johan; Baek, Hee-Jeong; Cho, Chunho

    2013-04-01

    Complex global models developed for climate prediction are now applied to the future climate projection in a number of global modeling centers around the world. In climate prediction aspects, an atmosphere-ocean coupled model (one-tier climate system) has been recognized to exhibit useful skill for a global or certain regions (Graham et al., 2005). Wang et al. (2005) demonstrates that an AGCM coupled with an ocean model, simulates realistic SST-rainfall relationships for the Asia during the summer period. Also the transition from two-tier to one-tier approach in climate prediction are mainly caused by recent progresses in development of coupled climate models and enlargement of understanding air-sea interactions obtained from international collaborative efforts such as TOGA (the Tropical Ocean-Global Atmosphere) program (Wang et al., 2009). Meanwhile, water resource including river outflow in association with surface and sub-surface water flow is an important part of the global hydrological cycle, and is affected by climate variability and change through recharge processes (Chen et al., 2002), as well as by human interventions in many locations (Petheram et al., 2001). Also, water is critical resource to the social, economic and environmental aspects, and advances of these core elements requires improved water resource management. Better management and use of water need to abundant real time hydro-meteorological (river and weather) information as well as accurate water resource forecasting (Barrett, 1990). For this reason, many studies have recently carrying out the water resource prediction and estimation using hydrology and climate model. For example, Shiklomanov et al. (2011) predicted that water resource in Russian territory increases about 8-10% during 2010-2020 using the unit hydrograph (UH) model based on hydrologic rainfall-runoff model. Anderson et al. (2000) explained the probabilistic seasonal prediction of drought with a simplified climate model coupled

  12. DWPF Simulant CPC Studies For SB8

    Energy Technology Data Exchange (ETDEWEB)

    Newell, J. D.

    2013-09-25

    Prior to processing a Sludge Batch (SB) in the Defense Waste Processing Facility (DWPF), flowsheet studies using simulants are performed. Typically, the flowsheet studies are conducted based on projected composition(s). The results from the flowsheet testing are used to 1) guide decisions during sludge batch preparation, 2) serve as a preliminary evaluation of potential processing issues, and 3) provide a basis to support the Shielded Cells qualification runs performed at the Savannah River National Laboratory (SRNL). SB8 was initially projected to be a combination of the Tank 40 heel (Sludge Batch 7b), Tank 13, Tank 12, and the Tank 51 heel. In order to accelerate preparation of SB8, the decision was made to delay the oxalate-rich material from Tank 12 to a future sludge batch. SB8 simulant studies without Tank 12 were reported in a separate report.1 The data presented in this report will be useful when processing future sludge batches containing Tank 12. The wash endpoint target for SB8 was set at a significantly higher sodium concentration to allow acceptable glass compositions at the targeted waste loading. Four non-coupled tests were conducted using simulant representing Tank 40 at 110-146% of the Koopman Minimum Acid requirement. Hydrogen was generated during high acid stoichiometry (146% acid) SRAT testing up to 31% of the DWPF hydrogen limit. SME hydrogen generation reached 48% of of the DWPF limit for the high acid run. Two non-coupled tests were conducted using simulant representing Tank 51 at 110-146% of the Koopman Minimum Acid requirement. Hydrogen was generated during high acid stoichiometry SRAT testing up to 16% of the DWPF limit. SME hydrogen generation reached 49% of the DWPF limit for hydrogen in the SME for the high acid run. Simulant processing was successful using previously established antifoam addition strategy. Foaming during formic acid addition was not observed in any of the runs. Nitrite was destroyed in all runs and no N2O was detected

  13. A new unconditionally stable and consistent quasi-analytical in-stream water quality solution scheme for CSTR-based water quality simulators

    Science.gov (United States)

    Woldegiorgis, Befekadu Taddesse; van Griensven, Ann; Pereira, Fernando; Bauwens, Willy

    2017-06-01

    Most common numerical solutions used in CSTR-based in-stream water quality simulators are susceptible to instabilities and/or solution inconsistencies. Usually, they cope with instability problems by adopting computationally expensive small time steps. However, some simulators use fixed computation time steps and hence do not have the flexibility to do so. This paper presents a novel quasi-analytical solution for CSTR-based water quality simulators of an unsteady system. The robustness of the new method is compared with the commonly used fourth-order Runge-Kutta methods, the Euler method and three versions of the SWAT model (SWAT2012, SWAT-TCEQ, and ESWAT). The performance of each method is tested for different hypothetical experiments. Besides the hypothetical data, a real case study is used for comparison. The growth factors we derived as stability measures for the different methods and the R-factor—considered as a consistency measure—turned out to be very useful for determining the most robust method. The new method outperformed all the numerical methods used in the hypothetical comparisons. The application for the Zenne River (Belgium) shows that the new method provides stable and consistent BOD simulations whereas the SWAT2012 model is shown to be unstable for the standard daily computation time step. The new method unconditionally simulates robust solutions. Therefore, it is a reliable scheme for CSTR-based water quality simulators that use first-order reaction formulations.

  14. A global hydrological simulation to specify the sources of water used by humans

    Science.gov (United States)

    Hanasaki, Naota; Yoshikawa, Sayaka; Pokhrel, Yadu; Kanae, Shinjiro

    2018-01-01

    Humans abstract water from various sources to sustain their livelihood and society. Some global hydrological models (GHMs) include explicit schemes of human water abstraction, but the representation and performance of these schemes remain limited. We substantially enhanced the water abstraction schemes of the H08 GHM. This enabled us to estimate water abstraction from six major water sources, namely, river flow regulated by global reservoirs (i.e., reservoirs regulating the flow of the world's major rivers), aqueduct water transfer, local reservoirs, seawater desalination, renewable groundwater, and nonrenewable groundwater. In its standard setup, the model covers the whole globe at a spatial resolution of 0.5° × 0.5°, and the calculation interval is 1 day. All the interactions were simulated in a single computer program, and all water fluxes and storage were strictly traceable at any place and time during the simulation period. A global hydrological simulation was conducted to validate the performance of the model for the period of 1979-2013 (land use was fixed for the year 2000). The simulated water fluxes for water abstraction were validated against those reported in earlier publications and showed a reasonable agreement at the global and country level. The simulated monthly river discharge and terrestrial water storage (TWS) for six of the world's most significantly human-affected river basins were compared with gauge observations and the data derived from the Gravity Recovery and Climate Experiment (GRACE) satellite mission. It is found that the simulation including the newly added schemes outperformed the simulation without human activities. The simulated results indicated that, in 2000, of the 3628±75 km3 yr-1 global freshwater requirement, 2839±50 km3 yr-1 was taken from surface water and 789±30 km3 yr-1 from groundwater. Streamflow, aqueduct water transfer, local reservoirs, and seawater desalination accounted for 1786±23, 199±10, 106±5, and 1.8

  15. Improving SWAT for simulating water and carbon fluxes of forest ecosystems

    International Nuclear Information System (INIS)

    Yang, Qichun; Zhang, Xuesong

    2016-01-01

    As a widely used watershed model for assessing impacts of anthropogenic and natural disturbances on water quantity and quality, the Soil and Water Assessment Tool (SWAT) has not been extensively tested in simulating water and carbon fluxes of forest ecosystems. Here, we examine SWAT simulations of evapotranspiration (ET), net primary productivity (NPP), net ecosystem exchange (NEE), and plant biomass at ten AmeriFlux forest sites across the U.S. We identify unrealistic radiation use efficiency (Bio-E), large leaf to biomass fraction (Bio-LEAF), and missing phosphorus supply from parent material weathering as the primary causes for the inadequate performance of the default SWAT model in simulating forest dynamics. By further revising the relevant parameters and processes, SWAT's performance is substantially improved. Based on the comparison between the improved SWAT simulations and flux tower observations, we discuss future research directions for further enhancing model parameterization and representation of water and carbon cycling for forests. - Graphical abstract: Evaluating and improving SWAT simulations of water and carbon cycling over ten AmeriFlux sites across the United States. - Highlights: • The default forest parameterization in SWAT results in inadequate simulations of water and carbon. • Radiation use efficiency, leaf to biomass fraction, and parent material weathering processes are modified. • Revised SWAT provides improved simulations of evapotranspiration and net ecosystem exchange

  16. Improving SWAT for simulating water and carbon fluxes of forest ecosystems

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Qichun [Joint Global Change Research Institute, Pacific Northwest National Lab, College Park, MD 20740 (United States); Zhang, Xuesong, E-mail: xuesong.zhang@pnnl.gov [Joint Global Change Research Institute, Pacific Northwest National Lab, College Park, MD 20740 (United States); Great Lakes Bioenergy Research Center, Michigan State University, East Lansing, MI 48824 (United States)

    2016-11-01

    As a widely used watershed model for assessing impacts of anthropogenic and natural disturbances on water quantity and quality, the Soil and Water Assessment Tool (SWAT) has not been extensively tested in simulating water and carbon fluxes of forest ecosystems. Here, we examine SWAT simulations of evapotranspiration (ET), net primary productivity (NPP), net ecosystem exchange (NEE), and plant biomass at ten AmeriFlux forest sites across the U.S. We identify unrealistic radiation use efficiency (Bio-E), large leaf to biomass fraction (Bio-LEAF), and missing phosphorus supply from parent material weathering as the primary causes for the inadequate performance of the default SWAT model in simulating forest dynamics. By further revising the relevant parameters and processes, SWAT's performance is substantially improved. Based on the comparison between the improved SWAT simulations and flux tower observations, we discuss future research directions for further enhancing model parameterization and representation of water and carbon cycling for forests. - Graphical abstract: Evaluating and improving SWAT simulations of water and carbon cycling over ten AmeriFlux sites across the United States. - Highlights: • The default forest parameterization in SWAT results in inadequate simulations of water and carbon. • Radiation use efficiency, leaf to biomass fraction, and parent material weathering processes are modified. • Revised SWAT provides improved simulations of evapotranspiration and net ecosystem exchange.

  17. A simulation study on garment manufacturing process

    Science.gov (United States)

    Liong, Choong-Yeun; Rahim, Nur Azreen Abdul

    2015-02-01

    Garment industry is an important industry and continues to evolve in order to meet the consumers' high demands. Therefore, elements of innovation and improvement are important. In this work, research studies were conducted at a local company in order to model the sewing process of clothes manufacturing by using simulation modeling. Clothes manufacturing at the company involves 14 main processes, which are connecting the pattern, center sewing and side neating, pockets sewing, backside-sewing, attaching the front and back, sleeves preparation, attaching the sleeves and over lock, collar preparation, collar sewing, bottomedge sewing, buttonholing sewing, removing excess thread, marking button, and button cross sewing. Those fourteen processes are operated by six tailors only. The last four sets of processes are done by a single tailor. Data collection was conducted by on site observation and the probability distribution of processing time for each of the processes is determined by using @Risk's Bestfit. Then a simulation model is developed using Arena Software based on the data collected. Animated simulation model is developed in order to facilitate understanding and verifying that the model represents the actual system. With such model, what if analysis and different scenarios of operations can be experimented with virtually. The animation and improvement models will be presented in further work.

  18. An Empirical Agent-Based Model to Simulate the Adoption of Water Reuse Using the Social Amplification of Risk Framework.

    Science.gov (United States)

    Kandiah, Venu; Binder, Andrew R; Berglund, Emily Z

    2017-10-01

    Water reuse can serve as a sustainable alternative water source for urban areas. However, the successful implementation of large-scale water reuse projects depends on community acceptance. Because of the negative perceptions that are traditionally associated with reclaimed water, water reuse is often not considered in the development of urban water management plans. This study develops a simulation model for understanding community opinion dynamics surrounding the issue of water reuse, and how individual perceptions evolve within that context, which can help in the planning and decision-making process. Based on the social amplification of risk framework, our agent-based model simulates consumer perceptions, discussion patterns, and their adoption or rejection of water reuse. The model is based on the "risk publics" model, an empirical approach that uses the concept of belief clusters to explain the adoption of new technology. Each household is represented as an agent, and parameters that define their behavior and attributes are defined from survey data. Community-level parameters-including social groups, relationships, and communication variables, also from survey data-are encoded to simulate the social processes that influence community opinion. The model demonstrates its capabilities to simulate opinion dynamics and consumer adoption of water reuse. In addition, based on empirical data, the model is applied to investigate water reuse behavior in different regions of the United States. Importantly, our results reveal that public opinion dynamics emerge differently based on membership in opinion clusters, frequency of discussion, and the structure of social networks. © 2017 Society for Risk Analysis.

  19. Simulations of water and solute movement in the buried waste repository at Vaalputs

    International Nuclear Information System (INIS)

    Hutson, J.L.

    1987-01-01

    A previous series of simulations examined the movement of water through trench cap configurations of several types. The objectives of this series are i) to extent the simulations from the surface to the bottom of the repository, accounting for the placement of drums, ii) to examine the magnitude and direction of water fluxes throughout this depth and iii) to simulate the movement of solutes, using various assumptions regarding solute adsorption. Two models were used. The first was an adaptation of a solute transport model which incorporates the transient water flow model used in previous simulations. This was used primarily to estimate the likely water fluxes in the drum placement region. Since it requires large amounts of computer time this model was used to simulate periods of one or two years only. The second model was a very simple steady state solute transport model which was used to simulate Cs distribution after a 100 year period, using flux data obtained from the transient model simulations. The most important conclusion reached from this series of simulations is that the movement of Cs in the soil under the likely water regime is extremely slow. 'Worst case' situations were simulated. Some of these situations are unlikely in reality but provide a useful indication of the rates of movement of solute under various conditions. For this reason it was assumed that plants were absent in cases when maximum percolation was simulated and present when maximum upward flow was simulated. In no case was a 'wick' (a textural barrier to unsaturated water flow) assumed to be present

  20. Simulation of radiation-induced ozone decomposition in water in the presence of organic compounds

    International Nuclear Information System (INIS)

    Arai, H.; Namba, H.; Miyata, T.; Arai, M.; Sakumoto, A.; Sunaga, H.

    1995-01-01

    Ozone decomposition in water by electron beam irradiation in the presence of acetic acid and t-butanol was studied by the direct measurement of ozone concentration using a spectroscopy equipped with optical fiber light guides and the computer simulation based on 80 reactions. The calculated data were in fair agreement with the observed data for acetic acid aq. solution. For t-butanol high concentration aq. solution, the calculated data became closer to the observed data when the decomposition of peroxide were assumed to occur to produce HO 2 or O 2 - . At low concentration of the organic solutes, the presence of HCO 3 - or CO 3 2- disturbs the ozone decomposition substantially. The concentrations of active species such as OH radicals during the irradiation were also estimated from the simulation. (author)

  1. Photosynthetic efficiency of Pedunculate oak seedlings under simulated water stress

    Directory of Open Access Journals (Sweden)

    Popović Zorica

    2010-01-01

    Full Text Available Photosynthetic performance of seedlings of Quercus robur exposed to short-term water stress in the laboratory conditions was assessed through the method of induced fluorometry. The substrate for seedlings was clayey loam, with the dominant texture fraction made of silt, followed by clay and fine sand, with total porosity 68.2%. Seedlings were separated in two groups: control (C (soil water regime in pots was maintained at the level of field water capacity and treated (water-stressed, WS (soil water regime was maintained in the range of wilting point and lentocapillary capacity. The photosynthetic efficiency was 0.642±0.25 and 0.522±0.024 (WS and C, respectively, which was mostly due to transplantation disturbances and sporadic leaf chlorosis. During the experiment Fv/Fm decreased in both groups (0.551±0.0100 and 0.427±0.018 in C and WS, respectively. Our results showed significant differences between stressed and control group, in regard to both observed parameters (Fv/Fm and T½. Photosynthetic efficiency of pedunculate oak seedlings was significantly affected by short-term water stress, but to a lesser extent than by sufficient watering.

  2. Empirical method for simulation of water tables by digital computers

    International Nuclear Information System (INIS)

    Carnahan, C.L.; Fenske, P.R.

    1975-09-01

    An empirical method is described for computing a matrix of water-table elevations from a matrix of topographic elevations and a set of observed water-elevation control points which may be distributed randomly over the area of interest. The method is applicable to regions, such as the Great Basin, where the water table can be assumed to conform to a subdued image of overlying topography. A first approximation to the water table is computed by smoothing a matrix of topographic elevations and adjusting each node of the smoothed matrix according to a linear regression between observed water elevations and smoothed topographic elevations. Each observed control point is assumed to exert a radially decreasing influence on the first approximation surface. The first approximation is then adjusted further to conform to observed water-table elevations near control points. Outside the domain of control, the first approximation is assumed to represent the most probable configuration of the water table. The method has been applied to the Nevada Test Site and the Hot Creek Valley areas in Nevada

  3. Large Scale Simulation Platform for NODES Validation Study

    Energy Technology Data Exchange (ETDEWEB)

    Sotorrio, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Qin, Y. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Min, L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-04-27

    This report summarizes the Large Scale (LS) simulation platform created for the Eaton NODES project. The simulation environment consists of both wholesale market simulator and distribution simulator and includes the CAISO wholesale market model and a PG&E footprint of 25-75 feeders to validate the scalability under a scenario of 33% RPS in California with additional 17% of DERS coming from distribution and customers. The simulator can generate hourly unit commitment, 5-minute economic dispatch, and 4-second AGC regulation signals. The simulator is also capable of simulating greater than 10k individual controllable devices. Simulated DERs include water heaters, EVs, residential and light commercial HVAC/buildings, and residential-level battery storage. Feeder-level voltage regulators and capacitor banks are also simulated for feeder-level real and reactive power management and Vol/Var control.

  4. Multiphase flow experiments, mathematical modeling and numerical simulation of the water - gas - solute movement

    Science.gov (United States)

    Li, Y.; Ma, X.; Su, N.

    2013-12-01

    The movement of water and solute into and through the vadose zone is, in essence, an issue of immiscible displacement in pore-space network of a soil. Therefore, multiphase flow and transport in porous media, referring to three medium: air, water, and the solute, pose one of the largest unresolved challenges for porous medium fluid seepage. However, this phenomenon has always been largely neglected. It is expected that a reliable analysis model of the multi-phase flow in soil can truly reflect the process of natural movement about the infiltration, which is impossible to be observed directly. In such cases, geophysical applications of the nuclear magnetic resonance (NMR) provides the opportunity to measure the water movements into soils directly over a large scale from tiny pore to regional scale, accordingly enable it available both on the laboratory and on the field. In addition, the NMR provides useful information about the pore space properties. In this study, we proposed both laboratory and field experiments to measure the multi-phase flow parameters, together with optimize the model in computer programming based on the fractional partial differential equations (fPDE). In addition, we establish, for the first time, an infiltration model including solute flowing with water, which has huge influence on agriculture and soil environment pollution. Afterwards, with data collected from experiments, we simulate the model and analyze the spatial variability of parameters. Simulations are also conducted according to the model to evaluate the effects of airflow on water infiltration and other effects such as solute and absorption. It has significant meaning to oxygen irrigation aiming to higher crop yield, and shed more light into the dam slope stability. In summary, our framework is a first-time model added in solute to have a mathematic analysis with the fPDE and more instructive to agriculture activities.

  5. Station black out concurrent with PORV failure using a Generic Pressurized Water Reactor simulator

    International Nuclear Information System (INIS)

    Zubair, Muhammad; Ababneh, Ahmad; Ishag, Ahmed

    2017-01-01

    Highlights: •SBO accident simulation by using a GPWR simulator. •Normal SBO, and SBO with additional failure of Pilot Operated Relief Valve. •The research results will provide help in future for better understanding of accidents in APR 1400 reactors. -- Abstract: Station Black Out (SBO) is an accident situation that refers to the total loss of offsite power, along with the unavailability of onsite power, which results from the failure of all Diesel Generators (DG). Probabilistic Safety Assessment (PSA) spans a number of methods that include modeling of event-trees and simulation of accidents scenarios, aimed to quantify risk and ensure safety in nuclear power plants. PSA also deals with prediction of future accidents and calculation of failure probabilities that has been done in this study. A SBO accident was simulated using a Generic Pressurized Water Reactor (GPWR) simulator from KEYMASTER™. The accident scenario consists of two stages; the first stage belongs to normal SBO, in second stage SBO accident with additional failure of Pilot Operated Relief Valve (PORV) opens and it stuck open has been considered for the pressurizer. A comparison of the two stages was made by plotting variables on the same graph. The research has been carried out to analyze the hot and cold leg temperatures, Steam Generator (SG) pressure, SG Narrow Range (NR) level, SG water-level-percentage (PCT), Pressurizer pressure, Fuel Temperature, and containment pressure. Simulation results suggest that failure in closing PORV has negligible impact on hot and cold leg temperatures, results in an overall less pressure in SGs, but higher pressure in the pressurizer. Additionally, containment pressure did not exceed the maximum approved pressure of 8.7 kg/cm 2 , but was approaching the Advanced Pressurized Water Reactor’s (APR-1400) design pressure of 4.218 kg/cm 2 . Finally, nuclear fuel temperature exceeded Probabilistic Risk Assessment (PRA) limit of 726.7 °C for both scenarios. The

  6. Digitization and simulation realization of full range control system for steam generator water level

    International Nuclear Information System (INIS)

    Qian Hong; Ye Jianhua; Qian Fei; Li Chao

    2010-01-01

    In this paper, a full range digital control system for the steam generator water level is designed by a control scheme of single element control and three-element cascade feed-forward control, and the method to use the software module configuration is proposed to realize the water level control strategy. This control strategy is then applied in the operation of the nuclear power simulation machine. The simulation result curves indicate that the steam generator water level maintains constant at the stable operation condition, and when the load changes, the water level changes but finally maintains the constant. (authors)

  7. Simulated study of solid materials used as phantoms

    International Nuclear Information System (INIS)

    Belmonte, Eduardo P.; Pinheiro, Christiano J.G.; Pinto, Nivia G.Villela; Braz, Delson; Pereira Junior, Sielso B.; Lima, Gilberto S.

    2005-01-01

    The aim of this study is to analyze the behavior of electrons in water and compares them with the behavior in the materials you want to analyze. It were simulated, using Monte Carlo code EGS4 (MC), 24 irradiation with electrons of 6 and 20 MeV in different materials (polyethylene C 2 H 4 ) n , polystyrene (C 8 H 8 ) n , lucite (C 5 H 8 O 2 ), nylon (C 6 H 11 NO), water (H 2 O) and solid water (55% polyethylene, polystyrene and 5% 40% calcium oxide). The data show that for the two energies most of radiation does not interact with the first 20 mm materials. However, when analyzed plates of 1 cm, most of the energy is deposited in the first 4 plates in case 6 MeV and in the first ten to 20 MeV electrons, for all materials. In case of similarity in behavior of radiation in water and other materials, it is observed that is in polyethylene and polystyrene that the behaviour of electrons more resembles the behavior in water

  8. Reactive turbulent flow CFD study in supercritical water oxidation process: application to a stirred double shell reactor; Etude par simulation numerique des ecoulements turbulents reactifs dans les reacteurs d'oxydation hydrothermale: application a un reacteur agite double enveloppe

    Energy Technology Data Exchange (ETDEWEB)

    Moussiere, S

    2006-12-15

    Supercritical water oxidation is an innovative process to treat organic liquid waste which uses supercritical water properties to mix efficiency the oxidant and the organic compounds. The reactor is a stirred double shell reactor. In the step of adaptation to nuclear constraints, the computational fluid dynamic modeling is a good tool to know required temperature field in the reactor for safety analysis. Firstly, the CFD modeling of tubular reactor confirms the hypothesis of an incompressible fluid and the use of k-w turbulence model to represent the hydrodynamic. Moreover, the EDC model is as efficiency as the kinetic to compute the reaction rate in this reactor. Secondly, the study of turbulent flow in the double shell reactor confirms the use of 2D axisymmetric geometry instead of 3D geometry to compute heat transfer. Moreover, this study reports that water-air mixing is not in single phase. The reactive turbulent flow is well represented by EDC model after adaptation of initial conditions. The reaction rate in supercritical water oxidation reactor is mainly controlled by the mixing. (author)

  9. Simulation of water quality parameters from the treatment of ...

    African Journals Online (AJOL)

    Michael Horsfall

    ABSTRACT: Today, discharging the wastewaters into the river is the main factor of water pollution and ... Ecological condition and wastewater properties affect the efficiency of WSP. ... 1 cubic meter domestic wastewater can pollute about.

  10. Coupling biophysical processes and water rights to simulate spatially distributed water use in an intensively managed hydrologic system

    Science.gov (United States)

    Han, Bangshuai; Benner, Shawn G.; Bolte, John P.; Vache, Kellie B.; Flores, Alejandro N.

    2017-07-01

    Humans have significantly altered the redistribution of water in intensively managed hydrologic systems, shifting the spatiotemporal patterns of surface water. Evaluating water availability requires integration of hydrologic processes and associated human influences. In this study, we summarize the development and evaluation of an extensible hydrologic model that explicitly integrates water rights to spatially distribute irrigation waters in a semi-arid agricultural region in the western US, using the Envision integrated modeling platform. The model captures both human and biophysical systems, particularly the diversion of water from the Boise River, which is the main water source that supports irrigated agriculture in this region. In agricultural areas, water demand is estimated as a function of crop type and local environmental conditions. Surface water to meet crop demand is diverted from the stream reaches, constrained by the amount of water available in the stream, the water-rights-appropriated amount, and the priority dates associated with particular places of use. Results, measured by flow rates at gaged stream and canal locations within the study area, suggest that the impacts of irrigation activities on the magnitude and timing of flows through this intensively managed system are well captured. The multi-year averaged diverted water from the Boise River matches observations well, reflecting the appropriation of water according to the water rights database. Because of the spatially explicit implementation of surface water diversion, the model can help diagnose places and times where water resources are likely insufficient to meet agricultural water demands, and inform future water management decisions.

  11. Measurement and numerical simulation of high intensity focused ultrasound field in water

    Science.gov (United States)

    Lee, Kang Il

    2017-11-01

    In the present study, the acoustic field of a high intensity focused ultrasound (HIFU) transducer in water was measured by using a commercially available needle hydrophone intended for HIFU use. To validate the results of hydrophone measurements, numerical simulations of HIFU fields were performed by integrating the axisymmetric Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation from the frequency-domain perspective with the help of a MATLAB-based software package developed for HIFU simulation. Quantitative values for the focal waveforms, the peak pressures, and the size of the focal spot were obtained in various regimes of linear, quasilinear, and nonlinear propagation up to the source pressure levels when the shock front was formed in the waveform. The numerical results with the HIFU simulator solving the KZK equation were compared with the experimental data and found to be in good agreement. This confirms that the numerical simulation based on the KZK equation is capable of capturing the nonlinear pressure field of therapeutic HIFU transducers well enough to make it suitable for HIFU treatment planning.

  12. Study on cementation of simulated radioactive borated liquid wastes

    International Nuclear Information System (INIS)

    Sun Qina; Li Junfeng; Wang Jianlong

    2010-01-01

    To compare sulfoaluminate cement with ordinary Portland cement on their cementation of radioactive borated liquid waste and to provide more data for formula optimization, simulated radioactive borated liquid waste were solidified by the two cements. 28 d compressive strength and strength losses after water/freezing/irradiation resistance tests were investigated. Leaching test and X-ray diffraction analysis were also conducted. The results show that it is feasible to solidify borated liquid wastes with sulfoaluminate cement and ordinary Portland cement with formulas used in the study. The 28 d compressive strengths, strength losses after tests and simulated nuclides leaching rates of the solidified waste forms meet the demand of GB 14569.1-93. The sulfoaluminate cement formula show better retention of Cs + than ordinary Portland cement formula. Boron, in form of B (OH) 4 - , incorporate in ettringite as solid solutions. (authors)

  13. QMRAcatch: Microbial Quality Simulation of Water Resources including Infection Risk Assessment.

    Science.gov (United States)

    Schijven, Jack; Derx, Julia; de Roda Husman, Ana Maria; Blaschke, Alfred Paul; Farnleitner, Andreas H

    2015-09-01

    Given the complex hydrologic dynamics of water catchments and conflicts between nature protection and public water supply, models may help to understand catchment dynamics and evaluate contamination scenarios and may support best environmental practices and water safety management. A catchment model can be an educative tool for investigating water quality and for communication between parties with different interests in the catchment. This article introduces an interactive computational tool, QMRAcatch, that was developed to simulate concentrations in water resources of , a human-associated microbial source tracking (MST) marker, enterovirus, norovirus, , and as target microorganisms and viruses (TMVs). The model domain encompasses a main river with wastewater discharges and a floodplain with a floodplain river. Diffuse agricultural sources of TMVs that discharge into the main river are not included in this stage of development. The floodplain river is fed by the main river and may flood the plain. Discharged TMVs in the river are subject to dilution and temperature-dependent degradation. River travel times are calculated using the Manning-Gauckler-Strickler formula. Fecal deposits from wildlife, birds, and visitors in the floodplain are resuspended in flood water, runoff to the floodplain river, or infiltrate groundwater. Fecal indicator and MST marker data facilitate calibration. Infection risks from exposure to the pathogenic TMVs by swimming or drinking water consumption are calculated, and the required pathogen removal by treatment to meet a health-based quality target can be determined. Applicability of QMRAcatch is demonstrated by calibrating the tool for a study site at the River Danube near Vienna, Austria, using field TMV data, including a sensitivity analysis and evaluation of the model outcomes. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  14. Improving SWAT for simulating water and carbon fluxes of forest ecosystems

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Qichun; Zhang, Xuesong

    2016-11-01

    As a widely used watershed model for assessing impacts of anthropogenic and natural disturbances on water quantity and quality, the Soil and Water Assessment Tool (SWAT) has not been extensively tested in simulating water and carbon fluxes of forest ecosystems. Here, we examine SWAT simulations of evapotranspiration (ET), net primary productivity (NPP), net ecosystem exchange (NEE), and plant biomass at ten AmeriFlux forest sites across the U.S. We identify unrealistic radiation use efficiency (Bio_E), large leaf to biomass fraction (Bio_LEAF), and missing phosphorus supply from parent material weathering as the primary causes for the inadequate performance of the default SWAT model in simulating forest dynamics. By further revising the relevant parameters and processes, SWAT’s performance is substantially improved. Based on the comparison between the improved SWAT simulations and flux tower observations, we discuss future research directions for further enhancing model parameterization and representation of water and carbon cycling for forests.

  15. LOGOS. HX: a core simulator for high conversion boiling water reactors

    International Nuclear Information System (INIS)

    Tsuiki, Makoto; Sakurada, Koichi; Yoshida, Hiroyuki.

    1988-01-01

    A three-dimensional physics simulator 'LOGOS. HX' has been developed for the designing analysis of high conversion boiling water reactor (HCBWR) cores. Its functions, calculational methods, and verification results will briefly be discussed. (author)

  16. One-dimensional plasma simulation studies

    International Nuclear Information System (INIS)

    Friberg, Ari; Virtamo, Jorma

    1976-01-01

    Some basic plasma phenomena are studied by a one-dimensional electrostatic simulation code. A brief description of the code and its application to a test problem is given. The experiments carried out include Landau damping of an excited wave, particle retardation by smoothed field and beam-plasma instability. In each case, the set-up of the experiment is described and the results are compared with theoretical predictions. In the theoretical discussions, the oscillatory behaviour found in the Landau damping experiment is explained, an explicit formula for the particle retardation rate is derived and a rudimentary picture of the beam-plasma instability in terms of quasilinear theory is given. (author)

  17. Mega drought in the Colorado River Basin, water supply, and adaptive scenario planning for the Phoenix Metropolitan Area; simulations using WaterSim 5.

    Science.gov (United States)

    Sampson, D. A.

    2015-12-01

    The Decision Center for a Desert City (DCDC), a boundary organization, bridges science and policy (to foster knowledge-based decision making); we study how decisions are made in the face of uncertainty. Our water policy and management model for the Phoenix Metropolitan Area (hereafter "Phoenix"), termed WaterSim, represents one such bridging mechanism. We evaluated the effect of varying the length of drought on water availability for Phoenix. We examined droughts (starting in 2000) lasting 15, 25, and 50 years. We picked a 60-year window of runoff estimates from the paleo reconstruction data for the Colorado River (CO) (1121 through 1180 A.D.), and the two local rivers (1391 through 1450 A.D.), and assumed that the proportional difference in median flow between these periods and the long-term record represented an estimate of potential drought reductions on river flows. This resulted in a 12%, and 19% reduction in flows for the CO River and the Salt-Verde (SV) Rivers, respectively. WaterSim uses 30-year trace periods from the historical flow records to simulate river flow for future projections. We used each 30-year trace from the historical record (1906 to present, CO River; 1945 to present SV Rivers) , and default settings, to simulate 60 year projections of Lake Mead elevation and the accompanying Colorado River water shortages to Phoenix. Overall, elevations for Lake Mead fell below the 1st shortage sharing tier (1075 ft) in 83% of the simulations; 74% of the simulations fell below the 2nd tier (1050 ft), and 64% fell below the 3rd (1025 ft). Length of drought, however, determined the shortage tiers met. Median elevations for droughts ending in 2015, 2025, and 2050 were 1036, 1019, and 967 feet msl, respectively. We present the plausible water futures with adaptive anticipatory scenario planning for the projected reductions in surface water availability to demonstrate decision points for water conservation measures to effectively manage shortage conditions.

  18. Hydrophobic duck feathers and their simulation on textile substrates for water repellent treatment

    International Nuclear Information System (INIS)

    Liu Yuyang; Chen Xianqiong; Xin, J H

    2008-01-01

    Inspired by the non-wetting phenomena of duck feathers, the water repellent property of duck feathers was studied at the nanoscale. The microstructures of the duck feather were investigated by a scanning electron microscope (SEM) imaging method through a step-by-step magnifying procedure. The SEM results show that duck feathers have a multi-scale structure and that this multi-scale structure as well as the preening oil are responsible for their super hydrophobic behavior. The microstructures of the duck feather were simulated on textile substrates using the biopolymer chitosan as building blocks through a novel surface solution precipitation (SSP) method, and then the textile substrates were further modified with a silicone compound to achieve low surface energy. The resultant textiles exhibit super water repellent properties, thus providing a simple bionic way to create super hydrophobic surfaces on soft substrates using flexible material as building blocks

  19. Molecular dynamics simulations of ultrathin water film confined between flat diamond plates

    Directory of Open Access Journals (Sweden)

    A.V. Khomenko

    2008-12-01

    Full Text Available Molecular dynamics simulations of ultrathin water film confined between atomically flat rigid diamond plates are described. Films with thickness of one and two molecular diameters are concerned and TIP4P model is used for water molecules. Dynamical and equilibrium characteristics of the system for different values of the external load and shear force are investigated. An increase of the external load causes the transition of the film to a solidlike state. This is manifested in a decrease of the diffusion constant and in the ordering of the liquid molecules into quasidiscrete layers. For two-layer film under high loads, the molecules also become ordered parallel to the surfaces. Time dependencies of the friction force and the changes of its average value with the load are obtained. In general, the behaviour of the studied model is consistent with the experimental results obtained for simple liquids with spherical molecules.

  20. Atomic-Scale Simulation of Electrochemical Processes at Electrode/Water Interfaces under Referenced Bias Potential.

    Science.gov (United States)

    Bouzid, Assil; Pasquarello, Alfredo

    2018-04-19

    Based on constant Fermi-level molecular dynamics and a proper alignment scheme, we perform simulations of the Pt(111)/water interface under variable bias potential referenced to the standard hydrogen electrode (SHE). Our scheme yields a potential of zero charge μ pzc of ∼0.22 eV relative to the SHE and a double layer capacitance C dl of ≃19 μF cm -2 , in excellent agreement with experimental measurements. In addition, we study the structural reorganization of the electrical double layer for bias potentials ranging from -0.92 eV to +0.44 eV and find that O down configurations, which are dominant at potentials above the pzc, reorient to favor H down configurations as the measured potential becomes negative. Our modeling scheme allows one to not only access atomic-scale processes at metal/water interfaces, but also to quantitatively estimate macroscopic electrochemical quantities.

  1. Developed hydraulic simulation model for water pipeline networks

    Directory of Open Access Journals (Sweden)

    A. Ayad

    2013-03-01

    Full Text Available A numerical method that uses linear graph theory is presented for both steady state, and extended period simulation in a pipe network including its hydraulic components (pumps, valves, junctions, etc.. The developed model is based on the Extended Linear Graph Theory (ELGT technique. This technique is modified to include new network components such as flow control valves and tanks. The technique also expanded for extended period simulation (EPS. A newly modified method for the calculation of updated flows improving the convergence rate is being introduced. Both benchmarks, ad Actual networks are analyzed to check the reliability of the proposed method. The results reveal the finer performance of the proposed method.

  2. Independent principal component analysis for simulation of soil water content and bulk density in a Canadian Watershed

    Directory of Open Access Journals (Sweden)

    Alaba Boluwade

    2016-09-01

    Full Text Available Accurate characterization of soil properties such as soil water content (SWC and bulk density (BD is vital for hydrologic processes and thus, it is importance to estimate θ (water content and ρ (soil bulk density among other soil surface parameters involved in water retention and infiltration, runoff generation and water erosion, etc. The spatial estimation of these soil properties are important in guiding agricultural management decisions. These soil properties vary both in space and time and are correlated. Therefore, it is important to find an efficient and robust technique to simulate spatially correlated variables. Methods such as principal component analysis (PCA and independent component analysis (ICA can be used for the joint simulations of spatially correlated variables, but they are not without their flaws. This study applied a variant of PCA called independent principal component analysis (IPCA that combines the strengths of both PCA and ICA for spatial simulation of SWC and BD using the soil data set from an 11 km2 Castor watershed in southern Quebec, Canada. Diagnostic checks using the histograms and cumulative distribution function (cdf both raw and back transformed simulations show good agreement. Therefore, the results from this study has potential in characterization of water content variability and bulk density variation for precision agriculture.

  3. Numerical Simulation of a Dual-Chamber Oscillating Water Column Wave Energy Converter

    Directory of Open Access Journals (Sweden)

    Dezhi Ning

    2017-09-01

    Full Text Available The performance of a dual-chamber Oscillating Water Column (OWC Wave Energy Converter (WEC is considered in the present study. The device has two sub-chambers with a shared orifice. A two-dimensional (2D fully nonlinear numerical wave flume based on the potential-flow theory and the time-domain higher-order boundary element method (HOBEM is applied for the simulation. The incident waves are generated by using the immerged sources and the air-fluid coupling influence is considered with a simplified pneumatic model. In the present study, the variation of the surface elevation and the water column volume in the two sub-chambers are investigated. The effects of the chamber geometry (i.e., the draft and breadth of two chambers on the surface elevation and the air pressure in the chamber are investigated, respectively. It is demonstrated that the surface elevations in the two sub-chambers are strongly dependent on the wave conditions. The larger the wavelength, the more synchronous motion of the two water columns in the two sub-chambers, thus, the lager the variation of the water column volume.

  4. Numerical simulation of hydrodynamic and water quality effects of shoreline changes in Bohai Bay

    Science.gov (United States)

    Jia, Han; Shen, Yongming; Su, Meirong; Yu, Chunxue

    2018-02-01

    This study uses the HD and Ecolab modules of MIKE to simulate the hydrodynamic and water quality and predict the influence of shoreline changes in Bohai Bay, China. The study shows that shoreline changes weaken the residual current and generate a counter-clockwise circulation south of Huanghua Port, thereby resulting in weak water exchange capacity and low pollutant-diffusing capacity. Shoreline changes reduce the area of Bohai Bay, resulting in a smaller tidal prism and further weakening the water exchange capacity. This situation is not conducive to the diffusion of pollutants, and therefore may lead to increased water pollution in the bay. Shoreline changes hinder the spread of runoff, weaken the dilution effect of the river on seawater, and block the spread of coastal residual current, thereby resulting in increased salinity near the reclamation area. Shoreline changes lead to an increase in PO4-P concentration and decrease in DIN concentration. The value of N/P near the project decreases, thereby weakening the phosphorus-limited effect.

  5. Simulation of water management for fodder beet to reduce yield losses under late season drought

    Directory of Open Access Journals (Sweden)

    T. Noreldin

    2016-12-01

    Full Text Available The objectives of this study were to calibrate CropSyst model for fodder beet grown under full and late season drought and to use the simulation results to analyze the relationship between irrigation amount and yield, as well as in water management to reduce yield losses under full and late season drought. For this reason, two field experiments were implemented at El-Serw Agricultural Research Station in Demiatte governorate, during 2011/12 and 2012/13 growing seasons. Two irrigation treatments were studied: full irrigation and late season drought. The model was calibrated using the data obtained from the two seasons. Results indicated that the reduction in fodder beet yield under late season drought was 11 and 12% in 2011/12 and 2012/13 growing seasons, respectively. Calibration of CropSyst revealed that the percentage of difference between measured and predicted values were low in both growing seasons. The results also indicated that changing irrigation schedule after examining water stress index under full and late season drought led to increase in fodder beet yield, as well as water and land productivity. Thus, CropSyst model can give insight into when to apply irrigation water to minimize yield losses under late season drought.

  6. Simulation of groundwater and surface-water flow in the upper Deschutes Basin, Oregon

    Science.gov (United States)

    Gannett, Marshall W.; Lite, Kenneth E.; Risley, John C.; Pischel, Esther M.; La Marche, Jonathan L.

    2017-10-20

    representation of subsurface geology and explicitly simulates the effects of hydrologically important fault zones not included in the previous model.The upper Deschutes Basin GSFLOW model was calibrated using an iterative trial and error approach using measured water-level elevations (water levels) from 800 wells, 144 of which have time series of 10 or more measurements. Streamflow was calibrated using data from 21 gage locations. At 14 locations where measured flows are heavily influenced by reservoir operations and irrigation diversions, so called “naturalized” flows, with the effects of reservoirs and diversion removed, developed by the Bureau of Reclamation, were used for calibration. Surface energy and moisture processes such as solar radiation, snow accumulation and melting, and evapotranspiration were calibrated using national datasets as well as data from long-term measurement sites in the basin. The calibrated Deschutes GSFLOW model requires daily precipitation, minimum and maximum air temperature data, and monthly data describing groundwater pumping and artificial recharge from leaking irrigation canals (which are a significant source of groundwater recharge).The calibrated model simulates the geographic distribution of hydraulic head over the 5,000 ft range measured in the basin, with a median absolute residual of about 53 ft. Temporal variations in head resulting from climate cycles, pumping, and canal leakage are well simulated over the model area. Simulated daily streamflow matches gaged flows or calculated naturalized flows for streams including the Crooked and Metolius Rivers, and lower parts of the mainstem Deschutes River. Seasonal patterns of runoff are less well fit in some upper basin streams. Annual water balances of streamflow are good over most of the model domain. Model fit and overall capabilities are appropriate for the objectives of the project.The integrated model results confirm findings from other studies and models indicating that most

  7. Identification and simulation for steam generator water level based on Kalman Filter

    International Nuclear Information System (INIS)

    Deng Chen; Zhang Qinshun

    2008-01-01

    In order to effectively control the water level of the steam generator (SG), this paper has set about the state-observer theory in modern control and put forward a method to detect the 'false water level' based on Kalman Filter. Kalman Filter is a efficient tool to estimate state-variable by measured value including noise. For heavy measurement noise of steam flow, constructing a 'false water level' observer by Kalman Filter could availably obtain state variable of 'false water level'. The simulation computing for the dynamics characteristic of nuclear SG water level process under several typically running power was implemented by employing the simulation model. The result shows that the simulation model accurately identifies the 'false water level' produced in the reverse thermal-dynamic effects of nuclear SG water level process. The simulation model can realize the precise analysis of dynamics characteristic for the nuclear SG water level process. It can provide a kind of new ideas for the 'false water level' detecting of SG. (authors)

  8. Evaluation of a simulation model for predicting soil-water ...

    African Journals Online (AJOL)

    The soils particle size distribution (specifically, percent clay and sand) and organic matter contents were inputted into the model to simulate soil moisture status at saturation, field capacity and wilting point, soil bulk density and saturated hydraulic conductivity. The model outputs were statistically compared with observed ...

  9. Experimental and simulation validation of ABHE for disinfection of Legionella in hot water systems

    International Nuclear Information System (INIS)

    Altorkmany, Lobna; Kharseh, Mohamad; Ljung, Anna-Lena; Staffan Lundström, T.

    2017-01-01

    Highlights: • ABHE system can supply a continues thermal treatment of water with saving energy. • Mathematical and experimental validation of ABHE performance are presented. • EES-based model is developed to simulate ABHE system. • Energy saving by ABHE is proved for different initial working parameters. - Abstract: The work refers to an innovative system inspired by nature that mimics the thermoregulation system that exists in animals. This method, which is called Anti Bacteria Heat Exchanger (ABHE), is proposed to achieve continuous thermal disinfection of bacteria in hot water systems with high energy efficiency. In particular, this study aims to demonstrate the opportunity to gain energy by means of recovering heat over a plate heat exchanger. Firstly, the thermodynamics of the ABHE is clarified to define the ABHE specification. Secondly, a first prototype of an ABHE is built with a specific configuration based on simplicity regarding design and construction. Thirdly, an experimental test is carried out. Finally, a computer model is built to simulate the ABHE system and the experimental data is used to validate the model. The experimental results indicate that the performance of the ABHE system is strongly dependent on the flow rate, while the supplied temperature has less effect. Experimental and simulation data show a large potential for saving energy of this thermal disinfection method by recovering heat. To exemplify, when supplying water at a flow rate of 5 kg/min and at a temperature of 50 °C, the heat recovery is about 1.5 kW while the required pumping power is 1 W. This means that the pressure drop is very small compared to the energy recovered and consequently high saving in total cost is promising.

  10. Global sensitivity and uncertainty analysis of the nitrate leaching and crop yield simulation under different water and nitrogen management practices

    Science.gov (United States)

    Agricultural system models have become important tools in studying water and nitrogen (N) dynamics, as well as crop growth, under different management practices. Complexity in input parameters often leads to significant uncertainty when simulating dynamic processes such as nitrate leaching or crop y...

  11. Environmental Systems Simulations for Carbon, Energy, Nitrogen, Water, and Watersheds: Design Principles and Pilot Testing

    NARCIS (Netherlands)

    Lant, C.; Pérez Lapena, B.; Xiong, W.; Kraft, S.; Kowalchuk, R.; Blair, M.

    2016-01-01

    Guided by the Next Generation Science Standards and elements of problem-based learning, four human-environment systems simulations are described in brief—carbon, energy, water, and watershed—and a fifth simulation on nitrogen is described in more depth. These science, technology, engineering, and

  12. G189A analytical simulation of the RITE Integrated Waste Management-Water System

    Science.gov (United States)

    Coggi, J. V.; Clonts, S. E.

    1974-01-01

    This paper discusses the computer simulation of the Integrated Waste Management-Water System Using Radioisotopes for Thermal Energy (RITE) and applications of the simulation. Variations in the system temperature and flows due to particular operating conditions and variations in equipment heating loads imposed on the system were investigated with the computer program. The results were assessed from the standpoint of the computed dynamic characteristics of the system and the potential applications of the simulation to system development and vehicle integration.

  13. Simulation of groundwater conditions and streamflow depletion to evaluate water availability in a Freeport, Maine, watershed

    Science.gov (United States)

    Nielsen, Martha G.; Locke, Daniel B.

    2012-01-01

    , the public-supply withdrawals (105.5 million gallons per year (Mgal/yr)) were much greater than those for any other category, being almost 7 times greater than all domestic well withdrawals (15.3 Mgal/yr). Industrial withdrawals in the study area (2.0 Mgal/yr) are mostly by a company that withdraws from an aquifer at the edge of the Merrill Brook watershed. Commercial withdrawals are very small (1.0 Mgal/yr), and no irrigation or other agricultural withdrawals were identified in this study area. A three-dimensional, steady-state groundwater-flow model was developed to evaluate stream-aquifer interactions and streamflow depletion from pumping, to help refine the conceptual model, and to predict changes in streamflow resulting from changes in pumping and recharge. Groundwater levels and flow in the Freeport aquifer study area were simulated with the three-dimensional, finite-difference groundwater-flow modeling code, MODFLOW-2005. Study area hydrology was simulated with a 3-layer model, under steady-state conditions. The groundwater model was used to evaluate changes that could occur in the water budgets of three parts of the local hydrologic system (the Harvey Brook watershed, the Merrill Brook watershed, and the buried aquifer from which pumping occurs) under several different climatic and pumping scenarios. The scenarios were (1) no pumping well withdrawals; (2) current (2009) pumping, but simulated drought conditions (20-percent reduction in recharge); (3) current (2009) recharge, but a 50-percent increase in pumping well withdrawals for public supply; and (4) drought conditions and increased pumping combined. In simulated drought situations, the overall recharge to the buried valley is about 15 percent less and the total amount of streamflow in the model area is reduced by about 19 percent. Without pumping, infiltration to the buried valley aquifer around the confining unit decreased by a small amount (0.05 million gallons per day (Mgal/d)), and discharge to the

  14. Modifying a dynamic global vegetation model for simulating large spatial scale land surface water balances

    Directory of Open Access Journals (Sweden)

    G. Tang

    2012-08-01

    Full Text Available Satellite-based data, such as vegetation type and fractional vegetation cover, are widely used in hydrologic models to prescribe the vegetation state in a study region. Dynamic global vegetation models (DGVM simulate land surface hydrology. Incorporation of satellite-based data into a DGVM may enhance a model's ability to simulate land surface hydrology by reducing the task of model parameterization and providing distributed information on land characteristics. The objectives of this study are to (i modify a DGVM for simulating land surface water balances; (ii evaluate the modified model in simulating actual evapotranspiration (ET, soil moisture, and surface runoff at regional or watershed scales; and (iii gain insight into the ability of both the original and modified model to simulate large spatial scale land surface hydrology. To achieve these objectives, we introduce the "LPJ-hydrology" (LH model which incorporates satellite-based data into the Lund-Potsdam-Jena (LPJ DGVM. To evaluate the model we ran LH using historical (1981–2006 climate data and satellite-based land covers at 2.5 arc-min grid cells for the conterminous US and for the entire world using coarser climate and land cover data. We evaluated the simulated ET, soil moisture, and surface runoff using a set of observed or simulated data at different spatial scales. Our results demonstrate that spatial patterns of LH-simulated annual ET and surface runoff are in accordance with previously published data for the US; LH-modeled monthly stream flow for 12 major rivers in the US was consistent with observed values respectively during the years 1981–2006 (R2 > 0.46, p < 0.01; Nash-Sutcliffe Coefficient > 0.52. The modeled mean annual discharges for 10 major rivers worldwide also agreed well (differences < 15% with observed values for these rivers. Compared to a degree-day method for snowmelt computation, the addition of the solar radiation effect on snowmelt

  15. Water-clay interactions. Experimental study

    International Nuclear Information System (INIS)

    Gaucher, Eric

    1998-01-01

    Clay minerals contribute to the chemical composition of soil and sediment groundwaters via surface and dissolution/precipitation reactions. The understanding of those processes is still today fragmentary. In this context, our experimental purpose is to identify the contribution of each reaction in the chemical composition of water in a water/clay System. Kaolinite, illite, montmorillonite are the reference clays. After a fine mineralogical study, the exchange equilibria between K + and H + are characterised. Different exchange sites are identified and the exchange capacities and selectivity coefficients are quantified. Then, mixtures of the three clays are equilibrated with acidic and basic (I≤10 -2 M) solutions at 25 deg. C, 60 deg. C, 80 deg. C, during 320 days. The System evolution is observed by chemical analysis of the solutions and mineralogical analysis by TEM. We show that montmorillonite is unstable compared to the kaolinite/amorphous silica assemblage for solutions of pH<7. Aqueous silica is probably controlled by the kinetics of dissolution of the montmorillonite in moderate pH media. In more acidic solutions, amorphous silica precipitates. Al is under control of 'kaolinite' neo-formations. The use of the selectivity coefficients in a numerical simulation shows that K + concentration depends on exchange reactions. The pH has a more complicated evolution, which is not completely understood. This evolution depends on both exchange equilibria and organic acid occurrence. In this type of experiments, we have demonstrated that the equilibrium equations between smectite and kaolinite are inexact. The problem of the thermodynamic nature of clays remains and is not resolved by these solubility experiments. (author) [fr

  16. On the application of accelerated molecular dynamics to liquid water simulations.

    Science.gov (United States)

    de Oliveira, César Augusto F; Hamelberg, Donald; McCammon, J Andrew

    2006-11-16

    Our group recently proposed a robust bias potential function that can be used in an efficient all-atom accelerated molecular dynamics (MD) approach to simulate the transition of high energy barriers without any advance knowledge of the potential-energy landscape. The main idea is to modify the potential-energy surface by adding a bias, or boost, potential in regions close to the local minima, such that all transitions rates are increased. By applying the accelerated MD simulation method to liquid water, we observed that this new simulation technique accelerates the molecular motion without losing its microscopic structure and equilibrium properties. Our results showed that the application of a small boost energy on the potential-energy surface significantly reduces the statistical inefficiency of the simulation while keeping all the other calculated properties unchanged. On the other hand, although aggressive acceleration of the dynamics simulation increases the self-diffusion coefficient of water molecules greatly and dramatically reduces the correlation time of the simulation, configurations representative of the true structure of liquid water are poorly sampled. Our results also showed the strength and robustness of this simulation technique, which confirm this approach as a very useful and promising tool to extend the time scale of the all-atom simulations of biological system with explicit solvent models. However, we should keep in mind that there is a compromise between the strength of the boost applied in the simulation and the reproduction of the ensemble average properties.

  17. Mathematical simulation of sediment and contaminant transport in surface waters. Annual report, October 1977--September 1978

    International Nuclear Information System (INIS)

    Onishi, Y.; Arnold, E.M.; Serne, R.J.; Cowan, C.E.; Thompson, F.L.; Mayer, D.W.

    1979-01-01

    Various pathways exist for exposure of humans and biota to radioactive materials released from nuclear facilities. Hydrologic transport (liquid pathway) is one element in the evaluation of the total radiation dose to man. Mathematical models supported by well-planned field data collection programs can be useful tools in assessing the hydrologic transport and ultimate fate of radionuclides. Radionuclides with high distribution coefficients or radionuclides in surface waters with high suspended sediment concentrations are, to a great extent, adsorbed by river and marine sediments. Thus, otherwise dilute contaminants are concentrated. Contaminated sediments may be deposited on the river and ocean beds creating a significant pathway to man. Contaminated bed sediment in turn may become a long-term source of pollution through desorption and resuspension. In order to assess migration and accumulation of radionuclides in surface waters, mathematical models must correctly simulate essential mechanisms of radionuclide transport. The objectives of this study were: (1) to conduct a critical review of (a) radionuclide transport models as well as sediment transport and representative water quality models in rivers, estuaries, oceans, lakes, and reservoirs, and (b) adsorption and desorption mechanisms of radionuclides with sediments in surface waters; (2) to synthesize a mathematical model capable of predicting short- and long-term transport and accumulation of radionuclides in marine environments

  18. Chaotic behavior of water column oscillator simulating pressure balanced injection system in passive safety reactor

    International Nuclear Information System (INIS)

    Morimoto, Y.; Madarame, H.; Okamoto, K.

    2001-01-01

    Japan Atomic Energy Research Institute (JAERI) proposed a passive safety reactor called the System-integrated Pressurized Water Reactor (SPWR). In a loss of coolant accident, the Pressurizing Line (PL) and the Injection Line (IL) are passively opened. Vapor generated by residual heat pushes down the water level in the Reactor Vessel (RV). When the level is lower than the inlet of the PL, the vapor is ejected into the Containment Vessel (CV) through the PL. Then boronized water in the CV is injected into the RV through the IL by the static head. In an experiment using a simple apparatus, gas ejection and water injection were found to occur alternately under certain conditions. The gas ejection interval was observed to fluctuate considerably. Though stochastic noise affected the interval, the experimental results suggested that the large fluctuation was produced by an inherent character in the system. A set of piecewise linear differential equations was derived to describe the experimental result. The large fluctuation was reproduced in the analytical solution. Thus it was shown to occur even in a deterministic system without any source of stochastic noise. Though the derived equations simulated the experiment well, they had ten independent parameters governing the behavior of the solution. There appeared chaotic features and bifurcation, but the analytical model was too complicated to examine the features and mechanism of bifurcation. In this study, a new simple model is proposed which consists of a set of piecewise linear ordinary differential equations with only four independent parameters. (authors)

  19. Controllability studies for an advanced CANDU boiling light water reactor

    International Nuclear Information System (INIS)

    Lepp, R.M.; Hinds, H.W.

    1976-12-01

    Bulk controllability studies carried out as part of a conceptual design study of a 1200 MWe CANDU boiling-light-water reactor fuelled with U 235 - or Pu-enriched uranium oxide are outlined. The concept, the various models developed for its simulation on a hybrid computer and the perturbations used to test system controllability, are described. The results show that this concept will have better bulk controllability than similar CANDU-BLW reactors fuelled with natural uranium. (author)

  20. DWPF simulant CPC studies for SB8

    Energy Technology Data Exchange (ETDEWEB)

    Koopman, D. C.; Zamecnik, J. R.

    2013-06-25

    The Savannah River National Laboratory (SRNL) accepted a technical task request (TTR) from Waste Solidification Engineering to perform simulant tests to support the qualification of Sludge Batch 8 (SB8) and to develop the flowsheet for SB8 in the Defense Waste Processing Facility (DWPF). These efforts pertained to the DWPF Chemical Process Cell (CPC). Separate studies were conducted for frit development and glass properties (including REDOX). The SRNL CPC effort had two primary phases divided by the decision to drop Tank 12 from the SB8 constituents. This report focuses on the second phase with SB8 compositions that do not contain the Tank 12 piece. A separate report will document the initial phase of SB8 testing that included Tank 12. The second phase of SB8 studies consisted of two sets of CPC studies. The first study involved CPC testing of an SB8 simulant for Tank 51 to support the CPC demonstration of the washed Tank 51 qualification sample in the SRNL Shielded Cells facility. SB8-Tank 51 was a high iron-low aluminum waste with fairly high mercury and moderate noble metal concentrations. Tank 51 was ultimately washed to about 1.5 M sodium which is the highest wash endpoint since SB3-Tank 51. This study included three simulations of the DWPF Sludge Receipt and Adjustment Tank (SRAT) cycle and Slurry Mix Evaporator (SME) cycle with the sludge-only flowsheet at nominal DWPF processing conditions and three different acid stoichiometries. These runs produced a set of recommendations that were used to guide the successful SRNL qualification SRAT/SME demonstration with actual Tank 51 washed waste. The second study involved five SRAT/SME runs with SB8-Tank 40 simulant. Four of the runs were designed to define the acid requirements for sludge-only processing in DWPF with respect to nitrite destruction and hydrogen generation. The fifth run was an intermediate acid stoichiometry demonstration of the coupled flowsheet for SB8. These runs produced a set of processing

  1. DWPF simulant CPC studies for SB8

    International Nuclear Information System (INIS)

    Koopman, D. C.; Zamecnik, J. R.

    2013-01-01

    The Savannah River National Laboratory (SRNL) accepted a technical task request (TTR) from Waste Solidification Engineering to perform simulant tests to support the qualification of Sludge Batch 8 (SB8) and to develop the flowsheet for SB8 in the Defense Waste Processing Facility (DWPF). These efforts pertained to the DWPF Chemical Process Cell (CPC). Separate studies were conducted for frit development and glass properties (including REDOX). The SRNL CPC effort had two primary phases divided by the decision to drop Tank 12 from the SB8 constituents. This report focuses on the second phase with SB8 compositions that do not contain the Tank 12 piece. A separate report will document the initial phase of SB8 testing that included Tank 12. The second phase of SB8 studies consisted of two sets of CPC studies. The first study involved CPC testing of an SB8 simulant for Tank 51 to support the CPC demonstration of the washed Tank 51 qualification sample in the SRNL Shielded Cells facility. SB8-Tank 51 was a high iron-low aluminum waste with fairly high mercury and moderate noble metal concentrations. Tank 51 was ultimately washed to about 1.5 M sodium which is the highest wash endpoint since SB3-Tank 51. This study included three simulations of the DWPF Sludge Receipt and Adjustment Tank (SRAT) cycle and Slurry Mix Evaporator (SME) cycle with the sludge-only flowsheet at nominal DWPF processing conditions and three different acid stoichiometries. These runs produced a set of recommendations that were used to guide the successful SRNL qualification SRAT/SME demonstration with actual Tank 51 washed waste. The second study involved five SRAT/SME runs with SB8-Tank 40 simulant. Four of the runs were designed to define the acid requirements for sludge-only processing in DWPF with respect to nitrite destruction and hydrogen generation. The fifth run was an intermediate acid stoichiometry demonstration of the coupled flowsheet for SB8. These runs produced a set of processing

  2. Transient water stress in a vegetation canopy - Simulations and measurements

    Science.gov (United States)

    Carlson, Toby N.; Belles, James E.; Gillies, Robert R.

    1991-01-01

    Consideration is given to observational and modeling evidence of transient water stress, the effects of the transpiration plateau on the canopy radiometric temperature, and the factors responsible for the onset of the transpiration plateau, such as soil moisture. Attention is also given to the point at which the transient stress can be detected by remote measurement of surface temperature.

  3. Global sensitivity analysis for UNSATCHEM simulations of crop production with degraded waters

    Science.gov (United States)

    One strategy for maintaining irrigated agricultural productivity in the face of diminishing resource availability is to make greater use of marginal quality waters and lands. A key to sustaining systems using degraded irrigation waters is salinity management. Advanced simulation models and decision ...

  4. Steel corrosion products solubility under conditions simulating various water chemistry parameters in power plants

    International Nuclear Information System (INIS)

    Slobodov, A.A.; Kritskij, V.G.; Zarembo, V.I.; Puchkov, L.V.

    1988-01-01

    To simulate construction material corrosion product mass transfer model in power plant circuits calculation of iron oxide and hydroxide solubility, depending on water chemistry parameters: temperature, pH-value, content of dissolved in water hydrogen and oxygen, is carried out

  5. Water balance versus land surface model in the simulation of Rhine river discharges

    NARCIS (Netherlands)

    Hurkmans, R.T.W.L.; Moel, de H.; Aerts, J.C.J.H.; Troch, P.A.

    2008-01-01

    Accurate streamflow simulations in large river basins are crucial to predict timing and magnitude of floods and droughts and to assess the hydrological impacts of climate change. Water balance models have been used frequently for these purposes. Compared to water balance models, however, land

  6. How to prevent dimerization of laser dyes in water? Simulation and organic synthesis

    International Nuclear Information System (INIS)

    Dare-Doyen, S.

    2000-01-01

    Xanthenes are widely used as laser dyes in ethanol medium because their photophysical properties there are excellent. On the other hand, when they are dissolved in water, their fluorescence is almost zero on account of the dimerization phenomenon (aggregation of two molecules) which is specific in water although the interaction between the two molecules (these dyes are mainly cations) be repulsive. The first part of this work deals with the dimerization study of two dyes, the 6G rhodamine and the 6G pyronine. Molecular dynamics simulation results (AMBER software) have been compared with those of the NMR; thus it has been possible to describe the geometry of the 6G rhodamine dimer and to identify two structures present in equal quantities for the 6G pyronine dimer. It has been demonstrated that the role of water is essential in the aggregation mechanism; this role can be understood as resulting of the hydrophobic effect. The second part of this work concerns the synthesis of rhodamines which are soluble but not able to dimerize in water at the running concentrations of the laser dyes. At first, aminophenol precursors having hydrophilic ionic groups on modifiable sites have been synthesized without changing their photophysical properties. The synthesis sequence of the 3-(2-alkylamino-4-hydroxyphenyl)propionic acids has not given the waited products but N-(3'-hydroxyphenyl)amino-alkylsulfonic acids have been obtained. Their condensation with the phthalic anhydride has led to dyes of a charge -2 at a pH of 5 in water and which have photophysical properties similar to those of the rhodamine 575 in ethanol and laser emission properties in the emission spectral range of the rhodamine 6G in ethanol. This synthesis work has then led to the preparation of two laser dyes usable in water. (author) [fr

  7. Simulation of ground-water flow and solute transport in the Glen Canyon aquifer, East-Central Utah

    Science.gov (United States)

    Freethey, Geoffrey W.; Stolp, Bernard J.

    2010-01-01

    The extraction of methane from coal beds in the Ferron coal trend in central Utah started in the mid-1980s. Beginning in 1994, water from the extraction process was pressure injected into the Glen Canyon aquifer. The lateral extent of the aquifer that could be affected by injection is about 7,600 square miles. To address regional-scale effects of injection over a decadal time frame, a conceptual model of ground-water movement and transport of dissolved solids was formulated. A numerical model that incorporates aquifer concepts was then constructed and used to simulate injection.The Glen Canyon aquifer within the study area is conceptualized in two parts—an active area of ground-water flow and solute transport that exists between recharge areas in the San Rafael Swell and Desert, Waterpocket Fold, and Henry Mountains and discharge locations along the Muddy, Dirty Devil, San Rafael, and Green Rivers. An area of little or negligible ground-water flow exists north of Price, Utah, and beneath the Wasatch Plateau. Pressurized injection of coal-bed methane production water occurs in this area where dissolved-solids concentrations can be more than 100,000 milligrams per liter. Injection has the potential to increase hydrologic interaction with the active flow area, where dissolved-solids concentrations are generally less than 3,000 milligrams per liter.Pressurized injection of coal-bed methane production water in 1994 initiated a net addition of flow and mass of solutes into the Glen Canyon aquifer. To better understand the regional scale hydrologic interaction between the two areas of the Glen Canyon aquifer, pressurized injection was numerically simulated. Data constraints precluded development of a fully calibrated simulation; instead, an uncalibrated model was constructed that is a plausible representation of the conceptual flow and solute-transport processes. The amount of injected water over the 36-year simulation period is about 25,000 acre-feet. As a result

  8. Exploratory study on prevaporation membranes for removal of water from water-crude oil emulsions

    Energy Technology Data Exchange (ETDEWEB)

    1989-01-11

    The main objective of this study was to explore the feasibility of removing water from oil/water and water/oil emulsions by means of prevaporation. Simulated oil/water and water/oil emulsions were prepared by mixing water and kerosene of various concentrations and stabilized by adding sodium lauryl sulfate. Preliminary experiments were conducted on 12 membranes fabricated from two different materials. One membrane of each type of material was chosen for further work based on the results of preliminary tests, in which two different kinds of membranes, cellulose and polyvinylalcohol, were used. All experiments were carried out under two different down-stream pressures and various temperatures. The tests showed clearly that permeation rate increases at increasing temperatures. It was demonstrated that over 97% of water can be recovered from synthetic oil emulsions. The results also proved that both cellulose and polyvinylalcohol membranes produced permeates relatively free of oil even when the synthetic or crude oil emulsions had oil content higher than 90%. The study concluded that prevaporation was effective, but more extensive studies on various field oil emulsions with improved membrane material and systems were necessary due to the complex and site-specific characteristics of the actual field emulsions. 3 figs., 8 tabs.

  9. Simulation and experimental research on trans-media vehicle water-entry motion characteristics at low speed.

    Science.gov (United States)

    Yang, Jian; Li, Yongli; Feng, Jinfu; Hu, Junhua; Liu, An

    2017-01-01

    The motion characteristics of trans-media vehicles during the water-entry process were explored in this study in an effort to obtain the optimal water-entry condition of the vehicle for developing a novel, single control strategy integrating underwater non-control and in-air control. A water-entry dynamics model is established by combining the water-entry motion characteristics of the vehicle in uncontrolled conditions at low speed with time-varying parameters (e.g. buoyancy, added mass). A water-entry experiment is designed to confirm the effectiveness of the established model. After that, by comparing the experimental results with the simulated results, the model is further modified to more accurately reflect water-entry motion. The change laws of the vehicle's attitude and position during the water-entry process are also obtained by analyzing the simulation of the modified model under different velocity, angle, and angle of attack conditions. The results presented here have guiding significance for the future realization of reaching the stable underwater navigation state of the vehicle after water-entry process.

  10. Simulation and experimental research on trans-media vehicle water-entry motion characteristics at low speed.

    Directory of Open Access Journals (Sweden)

    Jian Yang

    Full Text Available The motion characteristics of trans-media vehicles during the water-entry process were explored in this study in an effort to obtain the optimal water-entry condition of the vehicle for developing a novel, single control strategy integrating underwater non-control and in-air control. A water-entry dynamics model is established by combining the water-entry motion characteristics of the vehicle in uncontrolled conditions at low speed with time-varying parameters (e.g. buoyancy, added mass. A water-entry experiment is designed to confirm the effectiveness of the established model. After that, by comparing the experimental results with the simulated results, the model is further modified to more accurately reflect water-entry motion. The change laws of the vehicle's attitude and position during the water-entry process are also obtained by analyzing the simulation of the modified model under different velocity, angle, and angle of attack conditions. The results presented here have guiding significance for the future realization of reaching the stable underwater navigation state of the vehicle after water-entry process.

  11. Water erosion under simulated rainfall in different soil management systems during soybean growth

    OpenAIRE

    Engel,Fernando Luis; Bertol,Ildegardis; Mafra,Álvaro Luiz; Cogo,Neroli Pedro

    2007-01-01

    Soil management influences soil cover by crop residues and plant canopy, affecting water erosion. The objective of this research was to quantify water and soil losses by water erosion under different soil tillage systems applied on a typical aluminic Hapludox soil, in an experiment carried out from April 2003 to May 2004, in the Santa Catarina highland region, Lages, southern Brazil. Simulated rainfall was applied during five soybean cropstages, at the constant intensity of 64.0 mm h-1. Treat...

  12. Advanced Hydroinformatic Techniques for the Simulation and Analysis of Water Supply and Distribution Systems

    OpenAIRE

    Herrera, Manuel; Meniconi, Silvia; Alvisi, Stefano; Izquierdo, Joaquin

    2018-01-01

    This document is intended to be a presentation of the Special Issue “Advanced Hydroinformatic Techniques for the Simulation and Analysis of Water Supply and Distribution Systems”. The final aim of this Special Issue is to propose a suitable framework supporting insightful hydraulic mechanisms to aid the decision-making processes of water utility managers and practitioners. Its 18 peer-reviewed articles present as varied topics as: water distribution system design, optimization of network perf...

  13. Water Balance Study of a Groundwater-dependent Oak Forest

    Directory of Open Access Journals (Sweden)

    MÓRICZ, Norbert

    2010-01-01

    Full Text Available The objectives of this study were (1 to estimate the water balance components of an oak standby calibrating a Hydrus 1-D model, (2 to determine the groundwater consumption by the water tablefluctuation method and (3 to compare the results of the modelling with a remote-sensing based estimation.Model simulation described the observed soil moisture and groundwater level relatively well, theroot mean square errors varied between 12.0 and 14.9% for the soil moisture measurements and 5.0%for the groundwater level. Groundwater consumption was estimated also by the water table fluctuationmethod, which provided slightly different groundwater consumption rates than estimated by theHydrus model simulation. The simulated evapotranspiration was compared with results of a remotesensingbased estimation using the surface temperature database of MODIS.According to the Hydrus model, the estimated evapotranspiration resulted from transpiration(73%, interception loss (23% and soil surface evaporation (4% in the two-year study period. Theproportion of groundwater consumption was 58% of the total transpiration. During the dry growingseason of 2007 the groundwater consumption was significant with 66% of the total transpiration.Water supply from groundwater was found to be less important in the wet growing season of 2008with 50%. The remote-sensing based estimation of evapotranspiration was about 4% lower than themodel based results of nearby comparable sites.

  14. A mathematical model for the simulation of thermal transients in the water loop of IPEN

    International Nuclear Information System (INIS)

    Pontedeiro, A.C.

    1980-01-01

    A mathematical model for simulation of thermal transients in the water loop at the Instituto de Pesquisas Energeticas e Nucleares, Sao Paulo, Brasil, is developed. The model is based on energy equations applied to the components of the experimental water loop. The non-linear system of first order diferencial equations and of non-linear algebraic equations obtained through the utilization of the IBM 'System/360-Continous System Modeling Program' (CSMP) is resolved. An optimization of the running time of the computer is made and a typical simulation of the water loop is executed. (Author) [pt

  15. A molecular dynamics simulation of sodium pentadecyl sulphonate (SPDS)/water system

    International Nuclear Information System (INIS)

    Arsenyan, L.H.; Poghosyan, A.H.; Shahinyan, A.A.

    2008-07-01

    We have carried out a molecular dynamics simulation of a sodium pentadecylsulfonate (SPDS)/water system consisting of 64PDS/1200water and 512PDS/9000water molecules, correspondingly. The overall simulation time for both cases reaches up to 60ns and the simulation was performed using the NAMD code with CHARMM27 force field. The main parameters of the system have been calculated and compared with available X-ray diffraction findings. For large system, after a couple of ns, we receive the molecule's hydrocarbon chains tilt in the opposite sense in layers and reducing the system size leads to the decrease of the average angle between bilayer normal and chain vector. At the end of 50ns of a simulation run we achieve the crystalline-like structure of hydrocarbon packing. For both cases, we obtain tilted hydrocarbon chains packing and the average angle between bilayer normal and chain vector is estimated to be about 13 deg. and 10 deg. (author)

  16. Simulation of steam-water and binary geothermal power plants

    International Nuclear Information System (INIS)

    Popel', O.S.; Frid, S.E.; Shpil'rajn, Eh.Eh.

    2004-01-01

    The generalized scheme of the geothermal power plant (GeoPP), assuming the possibility of the electric power production in the steam-water turbine or in the turbine on the low-boiling working body, is considered. The GeoPP mathematical model, making it possible to carry out the comparison of the power indices of various GeoPP schemes and analysis of the calculational indices sensitivity of these schemes to the mode parameters change, is presented [ru

  17. Heat load material studies: Simulated tokamak disruptions

    International Nuclear Information System (INIS)

    Gahl, J.M.; McDonald, J.M.; Zakharov, A.; Tserevitinov, S.; Barabash, V.; Guseva, M.

    1991-01-01

    It is clear that an improved understanding of the effects of tokamak disruptions on plasma facing component materials is needed for the ITER program. very large energy fluxes are predicted to be deposited in ITER and could be very damaging to the machine. During 1991, Sandia National Laboratories and the University of New Mexico conducted cooperative tokamak disruption simulation experiments at several Soviet facilities. These facilities were located at the Efremov Institute in Leningrad, the Kurchatov Atomic Energy Institute (Troisk and Moscow) and the Institute for Physical Chemistry of the Soviet Adademy of Sciences in Moscow. Erosion of graphite from plasma stream impact is seen to be much less than that observed with laser or electron beams with similar energy fluxes. This, along with other data obtained, seem to suggest that the ''vapor shielding'' effect is a very important phenomenon in the study of graphite erosion during tokamak disruption

  18. Molecular dynamic simulation study of molten cesium

    Directory of Open Access Journals (Sweden)

    Yeganegi Saeid

    2017-01-01

    Full Text Available Molecular dynamics simulations were performed to study thermodynamics and structural properties of expanded caesium fluid. Internal pressure, radial distribution functions (RDFs, coordination numbers and diffusion coefficients have been calculated at temperature range 700–1600 K and pressure range 100–800 bar. We used the internal pressure to predict the metal–non-metal transition occurrence region. RDFs were calculated at wide ranges of temperature and pressure. The coordination numbers decrease and positions of the first peak of RDFs slightly increase as the temperature increases and pressure decreases. The calculated self-diffusion coefficients at various temperatures and pressures show no distinct boundary between Cs metallic fluid and its expanded fluid where it continuously increases with temperature.

  19. Simulation experiments for a large leak sodium-water reaction analysis. Volume 4. IHTS/relief system simulation tests

    International Nuclear Information System (INIS)

    Ploeger, D.W.

    1978-09-01

    Tests were performed in which a simplified 1/8-scale model of the intermediate heat transfer system and relief system of a LMFBR was subjected to a simulated sodium-water reaction in a steam generator. Pressures in the intermediate heat exchanger (IHX) and in the pipe were measured. The flow of water through the relief system was photographed and its velocity was measured. The forces on the relief system elbows resulting from the fluid flow were also measured. The tests were performed primarily to validate pulse propagation codes used for design and for direct use as design data

  20. Getting water right: A case study in water yield modelling based on precipitation data.

    Science.gov (United States)

    Pessacg, Natalia; Flaherty, Silvia; Brandizi, Laura; Solman, Silvina; Pascual, Miguel

    2015-12-15

    Water yield is a key ecosystem service in river basins and especially in dry regions around the World. In this study we carry out a modelling analysis of water yields in the Chubut River basin, located in one of the driest districts of Patagonia, Argentina. We focus on the uncertainty around precipitation data, a driver of paramount importance for water yield. The objectives of this study are to: i) explore the spatial and numeric differences among six widely used global precipitation datasets for this region, ii) test them against data from independent ground stations, and iii) explore the effects of precipitation data uncertainty on simulations of water yield. The simulations were performed using the ecosystem services model InVEST (Integrated Valuation of Ecosystem Services and Tradeoffs) with each of the six different precipitation datasets as input. Our results show marked differences among datasets for the Chubut watershed region, both in the magnitude of precipitations and their spatial arrangement. Five of the precipitation databases overestimate the precipitation over the basin by 50% or more, particularly over the more humid western range. Meanwhile, the remaining dataset (Tropical Rainfall Measuring Mission - TRMM), based on satellite measurements, adjusts well to the observed rainfall in different stations throughout the watershed and provides a better representation of the precipitation gradient characteristic of the rain shadow of the Andes. The observed differences among datasets in the representation of the rainfall gradient translate into large differences in water yield simulations. Errors in precipitation of +30% (-30%) amplify to water yield errors ranging from 50 to 150% (-45 to -60%) in some sub-basins. These results highlight the importance of assessing uncertainties in main input data when quantifying and mapping ecosystem services with biophysical models and cautions about the undisputed use of global environmental datasets. Copyright

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

    Science.gov (United States)

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

    2017-02-01

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

  2. Water Hammer Simulations of MMH Propellant - New Capability Demonstration of the Generalized Fluid Flow Simulation Program

    Science.gov (United States)

    Burkhardt, Z.; Ramachandran, N.; Majumdar, A.

    2017-01-01

    Fluid Transient analysis is important for the design of spacecraft propulsion system to ensure structural stability of the system in the event of sudden closing or opening of the valve. Generalized Fluid System Simulation Program (GFSSP), a general purpose flow network code developed at NASA/MSFC is capable of simulating pressure surge due to sudden opening or closing of valve when thermodynamic properties of real fluid are available for the entire range of simulation. Specifically GFSSP needs an accurate representation of pressure-density relationship in order to predict pressure surge during a fluid transient. Unfortunately, the available thermodynamic property programs such as REFPROP, GASP or GASPAK does not provide the thermodynamic properties of Monomethylhydrazine (MMH). This paper will illustrate the process used for building a customized table of properties of state variables from available properties and speed of sound that is required by GFSSP for simulation. Good agreement was found between the simulations and measured data. This method can be adopted for modeling flow networks and systems with other fluids whose properties are not known in detail in order to obtain general technical insight. Rigorous code validation of this approach will be done and reported at a future date.

  3. IMPROVED PARAMETERIZATION OF WATER CLOUD MODEL FOR HYBRID-POLARIZED BACKSCATTER SIMULATION USING INTERACTION FACTOR

    Directory of Open Access Journals (Sweden)

    S. Chauhan

    2017-07-01

    Full Text Available The prime aim of this study was to assess the potential of semi-empirical water cloud model (WCM in simulating hybrid-polarized SAR backscatter signatures (RH and RV retrieved from RISAT-1 data and integrate the results into a graphical user interface (GUI to facilitate easy comprehension and interpretation. A predominant agricultural wheat growing area was selected in Mathura and Bharatpur districts located in the Indian states of Uttar Pradesh and Rajasthan respectively to carry out the study. The three-date datasets were acquired covering the crucial growth stages of the wheat crop. In synchrony, the fieldwork was organized to measure crop/soil parameters. The RH and RV backscattering coefficient images were extracted from the SAR data for all the three dates. The effect of four combinations of vegetation descriptors (V1 and V2 viz., LAI-LAI, LAI-Plant water content (PWC, Leaf water area index (LWAI-LWAI, and LAI-Interaction factor (IF on the total RH and RV backscatter was analyzed. The results revealed that WCM calibrated with LAI and IF as the two vegetation descriptors simulated the total RH and RV backscatter values with highest R2 of 0.90 and 0.85 while the RMSE was lowest among the other tested models (1.18 and 1.25 dB, respectively. The theoretical considerations and interpretations have been discussed and examined in the paper. The novelty of this work emanates from the fact that it is a first step towards the modeling of hybrid-polarized backscatter data using an accurately parameterized semi-empirical approach.

  4. Comparison of tritium concentrations in rainwater, simulated infiltrating water, and groundwater

    International Nuclear Information System (INIS)

    Ishii, Yoshiyuki; Saito, Masaaki; Imaizumi, Hiroshi; Kato, Norio; Kitaoka, Koichi

    2014-01-01

    The tritium concentration in initial groundwater(i.e., freshly infiltrating rainwater) is necessary for groundwater dating. We collected simulated infiltrating water as the initial groundwater and examined its characteristics for tritium concentration. First, in Tokyo, the tritium concentration of simulated infiltrating water was compared with that of rainwater, atmospheric moisture, groundwater, spring water, and sap water. While rainwater, atmospheric moisture, and simulated infiltrating water remarkably changed month-to-month or with every rainfall event, groundwater and spring water were nearly constant throughout the year. Second, we collected the simulated infiltrating water monthly at four sampling sites widely dispersed across Japan(i.e., Sapporo, Niigata, Tokyo, and Matsuyama) from 2004 to 2010. Sapporo and Niigata showed high tritium concentrations as compared with the relatively low concentrations in Tokyo and Matsuyama. These results indicate that we can obtain annual maximum and minimum concentrations at each site, and that we can estimate the tritium concentration in initial groundwater at each site by using a mixing model composed of these maximum and minimum concentrations. (author)

  5. Advanced methodology to simulate boiling water reactor transient using coupled thermal-hydraulic/neutron-kinetic codes

    Energy Technology Data Exchange (ETDEWEB)

    Hartmann, Christoph Oliver

    2016-06-13

    Coupled Thermal-hydraulic/Neutron-kinetic (TH/NK) simulations of Boiling Water Reactor transients require well validated and accurate simulation tools. The generation of cross-section (XS) libraries, depending on the individual thermal-hydraulic state parameters, is of paramount importance for coupled simulations. Problem-dependent XS-sets for 3D core simulations are being generated mainly by well validated, fast running commercial and user-friendly lattice codes such as CASMO and HELIOS. In this dissertation a computational route, based on the lattice code SCALE6/TRITON, the cross-section interface GenPMAXS, the best-estimate thermal-hydraulic system code TRACE and the core simulator PARCS, for best-estimate simulations of Boiling Water (BWR) transients has been developed and validated. The computational route has been supplemented by a subsequent uncertainty and sensitivity study based on Monte Carlo sampling and propagation of the uncertainties of input parameters to the output (SUSA code). The analysis of a single BWR fuel assembly depletion problem with PARCS using SCALE/TRITON cross-sections has been shown a good agreement with the results obtained with CASMO cross-section sets. However, to compensate the deficiencies of the interface program GenPMAXS, PYTHON scripts had to be developed to incorporate missing data, as the yields of Iodine, Xenon and Promethium, into the cross-section-data sets (PMAXS-format) generated by GenPMAXS from the SCALE/TRITON output. The results of the depletion analysis of a full BWR core with PARCS have indicated the importance of considering history effects, adequate modeling of the reflector region and the control rods, as the PARCS simulations for depleted fuel and all control rods inserted (ARI) differs significantly at the fuel assembly top and bottom. Systematic investigations with the coupled codes TRACE/PARCS have been performed to analyse the core behaviour at different thermal conditions using nuclear data (XS

  6. Geant4-DNA simulation of electron slowing-down spectra in liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Incerti, S., E-mail: sebastien.incerti@tdt.edu.vn [Division of Nuclear Physics, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Faculty of Applied Sciences, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Univ. Bordeaux, CENBG, UMR 5797, F-33170, Gradignan (France); CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); Kyriakou, I. [Medical Physics Laboratory, University of Ioannina Medical School, 45110 Ioannina (Greece); Tran, H.N. [Division of Nuclear Physics, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Faculty of Applied Sciences, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam)

    2017-04-15

    This work presents the simulation of monoenergetic electron slowing-down spectra in liquid water by the Geant4-DNA extension of the Geant4 Monte Carlo toolkit (release 10.2p01). These spectra are simulated for several incident energies using the most recent Geant4-DNA physics models, and they are compared to literature data. The influence of Auger electron production is discussed. For the first time, a dedicated Geant4-DNA example allowing such simulations is described and is provided to Geant4 users, allowing further verification of Geant4-DNA track structure simulation capabilities.

  7. Interpretation of Water Tracer Simulation in the H-1 Segment of the Gullfaks Field

    Energy Technology Data Exchange (ETDEWEB)

    Moid, Farrukh

    2000-07-01

    This thesis describes the water tracer simulation in the H-1 segment of the Gullfaks field. Three passive water tracer slugs were injected from the two producing wells during water flooding, pressure maintenance and reservoir monitoring program in the Gullfaks field. The same program is considered in this thesis. Computer Modelling Group's (CMG) simulator STARS is used for the general reservoir simulation and a separate module for tracer flow (ITRC-SIM) which is incorporated in the STARS and developed at Institute For Energy (IFE) is used for the tracer simulation. Water cut and tracer concentration data are used in history matching of the field. History matching is performed by changing the transmissibility and permeability of different layers; also the effect of changing saturations near the well bore on history matching is examined. It is noted that water cut is sensitive to transmissibility of the layers and the saturation around the well bore. Tracers are found to be moving in the most permeable layers. The corresponding history matching of water and tracer production shows a severe loss of first tracer injected because of imbibition process. Water phase velocity and areal communication between different wells are determined. Advance numerical features of tracer module ITRC-SIM such as flux limiting scheme and grid refinement scheme are evaluated and are found to be an important tool for reducing the numerical smearing. The effects of dispersion and diffusion on tracer response curve are also evaluated. Dispersion makes the tracer concentration curve smeared. Simulation results of water cut and tracer concentration show a good history match for this reservoir. The improved simulation model and the tracer module for this reservoir can be used for the prediction of future performance of the reservoir and interpretation of the tracer behaviour in the reservoir. (author)

  8. On the hydrodynamics of archer fish jumping out of the water: Integrating experiments with numerical simulations

    Science.gov (United States)

    Sotiropoulos, Fotis; Angelidis, Dionysios; Mendelson, Leah; Techet, Alexandra

    2017-11-01

    Evolution has enabled fish to develop a range of thrust producing mechanisms to allow skillful movement and give them the ability to catch prey or avoid danger. Several experimental and numerical studies have been performed to investigate how complex maneuvers are executed and develop bioinspired strategies for aquatic robot design. We will discuss recent numerical advances toward the development of a computational framework for performing turbulent, two-phase flow, fluid-structure-interaction (FSI) simulations to investigate the dynamics of aquatic jumpers. We will also discuss the integration of such numerics with high-speed imaging and particle image velocimetry data to reconstruct anatomic fish models and prescribe realistic kinematics of fish motion. The capabilities of our method will be illustrated by applying it to simulate the motion of a small scale archer fish jumping out of the water to capture prey. We will discuss the rich vortex dynamics emerging during the hovering, rapid upward and gliding phases. The simulations will elucidate the thrust production mechanisms by the movement of the pectoral and anal fins and we will show that the fins significantly contribute to the rapid acceleration.

  9. Simulation of hybrid ground-coupled heat pump with domestic hot water heating systems using HVACSIM+

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Ping; Yang, Hongxing [Department of Building Services Engineering, The Hong Kong Polytechnic University, Hong Kong (China); Spitler, Jeffrey D. [School of Mechanical Engineering, Oklahoma State University (United States); Fang, Zhaohong [Ground Source Heat Pump Research Center, Shandong University of Architecture and Engineering, Jinan (China)

    2008-07-01

    A hybrid ground-coupled heat pump (HGCHP) with domestic hot water (DHW) supply system has been proposed in this paper for space cooling/heating and DHW supply for residential buildings in hot-climate areas. A simulation model for this hybrid system is established within the HVACSIM+ environment. A sample system, applied for a small residential apartment located in Hong Kong, is hourly simulated in a typical meteorological year. The conventional GCHP system and an electric heater for DHW supply are also modeled and simulated on an hourly basis within the HVACSIM+ for comparison purpose. The results obtained from this case study show that the HGCHP system can effectively alleviate the imbalanced loads of the ground heat exchanger (GHE) and can offer almost 95% DHW demand. The energy saving for DHW heating is about 70% compared with an electric heater. This proposed scheme, i.e. the HGCHP with DHW supply, is suitable to residential buildings in hot-climate areas, such as in Hong Kong. (author)

  10. Simulation and optimization of stable isotope 18O separation by water vacuum distillation

    International Nuclear Information System (INIS)

    Chen Yuyan; Qin Chuanjiang; Xiao Bin; Xu Jing'an

    2012-01-01

    In the research, a stable isotope 18 O separation column was set up by water vacuum distillation with 20 m packing height and 0.1 m diameter of the column. The self-developed special packing named PAC- 18 O was packed inside the column. Firstly, a model was created by using the Aspen Plus software, and then the simulation results were validated by test results. Secondly, a group of simulation results were created by Aspen Plus, and the optimal operation conditions were gotten by using the artificial neural network (ANN) and Statistica software. Considering comprehensive factors drawn from column pressure and from withdrawing velocity, conclusions were reached on the study of the impact on the abundance of the isotope 18 O. The final results show that the abundance of the isotope 18 O increases as column pressure dropping and withdrawing velocity decreasing. Besides, the optimal column pressure and the incidence formula between the abundance of the isotope 18 O and withdrawing velocity were gotten. The conclusion is that the method of simulation and optimization can be applied to 18 O industrial design and will be popular in traditional distillation process to realize optimization design. (authors)

  11. How Accurately Do Maize Crop Models Simulate the Interactions of Atmospheric CO2 Concentration Levels With Limited Water Supply on Water Use and Yield?

    Science.gov (United States)

    Durand, Jean-Louis; Delusca, Kenel; Boote, Ken; Lizaso, Jon; Manderscheid, Remy; Weigel, Hans Johachim; Ruane, Alexander Clark; Rosenzweig, Cynthia E.; Jones, Jim; Ahuja, Laj; hide

    2017-01-01

    This study assesses the ability of 21 crop models to capture the impact of elevated CO2 concentration [CO2] on maize yield and water use as measured in a 2-year Free Air Carbon dioxide Enrichment experiment conducted at the Thunen Institute in Braunschweig, Germany (Manderscheid et al. 2014). Data for ambient [CO2] and irrigated treatments were provided to the 21 models for calibrating plant traits, including weather, soil and management data as well as yield, grain number, above ground biomass, leaf area index, nitrogen concentration in biomass and grain, water use and soil water content. Models differed in their representation of carbon assimilation and evapotranspiration processes. The models reproduced the absence of yield response to elevated [CO2] under well-watered conditions, as well as the impact of water deficit at ambient [CO2], with 50 percent of models within a range of plus/minus 1 Mg ha(exp. -1) around the mean. The bias of the median of the 21 models was less than 1 Mg ha(exp. -1). However under water deficit in one of the two years, the models captured only 30 percent of the exceptionally high [CO2] enhancement on yield observed. Furthermore the ensemble of models was unable to simulate the very low soil water content at anthesis and the increase of soil water and grain number brought about by the elevated [CO2] under dry conditions. Overall, we found models with explicit stomatal control on transpiration tended to perform better. Our results highlight the need for model improvement with respect to simulating transpirational water use and its impact on water status during the kernel-set phase.

  12. Multiscale network model for simulating liquid water and water vapour transfer properties of porous materials

    NARCIS (Netherlands)

    Carmeliet, J.; Descamps, F.; Houvenaghel, G.

    1999-01-01

    A multiscale network model is presented to model unsaturated moisture transfer in hygroscopic capillary-porous materials showing a broad pore-size distribution. Both capillary effects and water sorption phenomena, water vapour and liquid water transfer are considered. The multiscale approach is

  13. Simulation of ground-water flow and evaluation of water-management alternatives in the upper Charles River basin, eastern Massachusetts

    Science.gov (United States)

    DeSimone, Leslie A.; Walter, Donald A.; Eggleston, John R.; Nimiroski, Mark T.

    2002-01-01

    Ground water is the primary source of drinking water for towns in the upper Charles River Basin, an area of 105 square miles in eastern Massachusetts that is undergoing rapid growth. The stratified-glacial aquifers in the basin are high yield, but also are thin, discontinuous, and in close hydraulic connection with streams, ponds, and wetlands. Water withdrawals averaged 10.1 million gallons per day in 1989?98 and are likely to increase in response to rapid growth. These withdrawals deplete streamflow and lower pond levels. A study was conducted to develop tools for evaluating water-management alternatives at the regional scale in the basin. Geologic and hydrologic data were compiled and collected to characterize the ground- and surface-water systems. Numerical flow modeling techniques were applied to evaluate the effects of increased withdrawals and altered recharge on ground-water levels, pond levels, and stream base flow. Simulation-optimization methods also were applied to test their efficacy for management of multiple water-supply and water-resource needs. Steady-state and transient ground-water-flow models were developed using the numerical modeling code MODFLOW-2000. The models were calibrated to 1989?98 average annual conditions of water withdrawals, water levels, and stream base flow. Model recharge rates were varied spatially, by land use, surficial geology, and septic-tank return flow. Recharge was changed during model calibration by means of parameter-estimation techniques to better match the estimated average annual base flow; area-weighted rates averaged 22.5 inches per year for the basin. Water withdrawals accounted for about 7 percent of total simulated flows through the stream-aquifer system and were about equal in magnitude to model-calculated rates of ground-water evapotranspiration from wetlands and ponds in aquifer areas. Water withdrawals as percentages of total flow varied spatially and temporally within an average year; maximum values were

  14. Numerical simulation system for environmental studies: SPEEDI-MP

    International Nuclear Information System (INIS)

    Nagai, Haruyasu; Chino, Masamichi; Terada, Hiroaki; Harayama, Takaya; Kobayashi, Takuya; Tsuduki, Katsunori; Kim, Keyong-Ok; Furuno, Akiko

    2006-09-01

    A numerical simulation system SPEEDI-MP has been developed to apply for various environmental studies. SPEEDI-MP consists of dynamical models and material transport models for the atmospheric, terrestrial, and oceanic environments, meteorological and geographical database for model inputs, and system utilities for file management, visualization, analysis, etc., using graphical user interfaces (GUIs). As a numerical simulation tool, a model coupling program (model coupler) has been developed. It controls parallel calculations of several models and data exchanges among them to realize the dynamical coupling of the models. A coupled model system for water circulation has been constructed with atmosphere, ocean, wave, hydrology, and land-surface models using the model coupler. System utility GUIs are based on the Web technology, allowing users to manipulate all the functions on the system using their own PCs via the internet. In this system, the source estimation function in the atmospheric transport model can be executed on the grid computer system. Performance tests of the coupled model system for water circulation were also carried out for the flood event at Saudi Arabia in January 2005 and the storm surge case by the hurricane KATRINA in August 2005. (author)

  15. Simulating the Effects of Various Pricing Scenarios on Water Tariff System

    Directory of Open Access Journals (Sweden)

    saeid Yazdani

    2015-03-01

    Full Text Available Water demand management policies and water pricing tools have important effects on o