WorldWideScience

Sample records for water simulation studies

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

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Hydrogen bonding in small water clusters is studied through computer simulation methods using a sophisticated, empirical model of interaction developed by Rick et al (S W Rick, S J Stuart and B J Berne 1994 J. Chem. Phys. 101 6141) and others. The model allows for the charges on the interacting sites to ...

  2. 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.

  3. 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...

  4. 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.

  5. Solubility of cellulose in supercritical water studied by molecular dynamics simulations.

    Science.gov (United States)

    Tolonen, Lasse K; Bergenstråhle-Wohlert, Malin; Sixta, Herbert; Wohlert, Jakob

    2015-04-02

    The insolubility of cellulose in ambient water and most aqueous systems presents a major scientific and practical challenge. Intriguingly though, the dissolution of cellulose has been reported to occur in supercritical water. In this study, cellulose solubility in ambient and supercritical water of varying density (0.2, 0.7, and 1.0 g cm(-3)) was studied by atomistic molecular dynamics simulations using the CHARMM36 force field and TIP3P water. The Gibbs energy of dissolution was determined between a nanocrystal (4 × 4 × 20 anhydroglucose residues) and a fully dissociated state using the two-phase thermodynamics model. The analysis of Gibbs energy suggested that cellulose is soluble in supercritical water at each of the studied densities and that cellulose dissolution is typically driven by the entropy gain upon the chain dissociation while simultaneously hindered by the loss of solvent entropy. Chain dissociation caused density augmentation around the cellulose chains, which improved water-water bonding in low density supercritical water whereas the opposite occurred in ambient and high density supercritical water.

  6. 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.

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

    OpenAIRE

    Ijabadeniyi, O. A.; Pillay, Y.

    2017-01-01

    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. aur...

  8. 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 ...

  9. 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.

  10. Metropolitan Spokane Region Water Resources Study. Appendix J. Water Quality Simulation Model

    Science.gov (United States)

    1976-01-01

    Vero composi- ted atd the composite was used for chlorophyll determinations and phycop!..’kton volume-counts by species. A 250 al sample of the...euphotic zone composite was preserved with Lugol’s solution. Cell volumes and counts per unit volume of water were determined for each taxon in the...solution is used to solve the differential equations describing the dynamics of water qual ity behavior. The time Interval used is one hour. The iHydrocomp

  11. A Comparative Study of the Adsorption of Water and Methanol in Zeolite BEA: A Molecular Simulation Study

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Van T.; Nguyen, Phuong T.; Dang, Liem X.; Mei, Donghai; Wick, Collin D.; Do, Duong D.

    2014-09-15

    Grand Canonical Monte Carlo (GCMC) simulations were carried out to study the equilibrium adsorption concentration of methanol and water in all-silica zeolite BEA over the wide temperature and pressure ranges. For both water and methanol, their adsorptive capacity increases with increasing pressure and decreasing temperature. The onset of methanol adsorption occurs at much lower pressures than water adsorption at all temperatures. Our GCMC simulation results also indicate that the adsorption isotherms of methanol exhibit a gradual change with pressure while water adsorption shows a sharp first-order phase transition at low temperatures. To explore the effects of Si/Al ratio on adsorption, a series of GCMC simulations of water and methanol adsorption in zeolites HBEA with Si/Al=7, 15, 31, 63 were performed. As the Si/Al ratio decreases, the onsets of both water and methanol adsorption dramatically shift to lower pressures. The type V isotherm obtained for water adsorption in hydrophobic BEA progressively changes to type I isotherm with decreasing Si/Al ratio in hydrophilic HBEA. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.

  12. 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…

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

    Science.gov (United States)

    Diallo, S. O.; Vlcek, L.; Mamontov, E.; Keum, J. K.; Chen, Jihua; Hayes, J. S.; Chialvo, A. A.

    2015-02-01

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

  14. Study of correlations from Ab-Initio Simulations of Liquid Water

    Science.gov (United States)

    Soto, Adrian; Fernandez-Serra, Marivi; Lu, Deyu; Yoo, Shinjae

    An accurate understanding of the dynamics and the structure of H2O molecules in the liquid phase is of extreme importance both from a fundamental and from a practical standpoint. Despite the successes of Molecular Dynamics (MD) with Density Functional Theory (DFT), liquid water remains an extremely difficult material to simulate accurately and efficiently because of fine balance between the covalent O-H bond, the hydrogen bond and the attractive the van der Waals forces. Small errors in those produce dramatic changes in the macroscopic properties of the liquid or in its structural properties. Different density functionals produce answers that differ by as much as 35% in ambient conditions, with none producing quantitative results in agreement with experiment at different mass densities. In order to understand these differences we perform an exhaustive scanning of the geometrical coordinates of MD simulations and study their statistical correlations with the simulation output quantities using advanced correlation analyses and machine learning techniques. This work was partially supported by DOE Award No. DE-FG02-09ER16052, by DOE Early Career Award No. DE-SC0003871, by BNL LDRD 16-039 project and BNL Contract No. DE-SC0012704.

  15. [Microbiological studies of the significance of natural and simulated water transmission in the evaluation of UV plants for water disinfection].

    Science.gov (United States)

    Leuker, G; Hingst, V

    1990-10-01

    The efficiency of UV-irradiation for water disinfection was tested using an UV-plant with constant flow between 0.7 and 11.5 m3/h. Within the range of water transmission (254 nm) between 40% and 98% (1 cm), which naturally was found in tap water, water from the Neckar river and biologically treated sewage water in an amount of 96%, 78% and ca. 60%, simulation was performed by artificial addition of fluorescein to demineralized water. Data obtained show similar results for the reduction of E. faecium and C. albicans, which were used as test strains. The investigation show no major discrepancies in the range of transmission from 80-96%, which is relevant for tap water disinfection. Water transmission at 254 nm was confirmed as important factor for UV-irradiation. Also found suitable was fluorescein for simulation of the natural water transmission without affecting the test strains. Thus UV-sensitivity of test strains could be detected by combination of flow rate and simulated water transmission using fluorescein. P. aeruginosa and E. coli were found to be more UV-sensitive than S. enteritidis and S. marcescens. UV-resistance increased on the scale from E. faecium, S. aureus, M. luteus up to C. albicans. The efficiency of an UV-plant can be experimentally defined by a specific combination of flow rate (up to a certain amount) and water transmission. Thus the question can be answered whether and UV-plant is able to fulfill the specific requirements in use. These results, regarding the artificial variation of transmission values, are to be considered important for the specification of an additional measure of safety for minimal irradiation exposure times.

  16. 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

  17. Spatial correlations of density and structural fluctuations in liquid water: a comparative simulation study.

    Science.gov (United States)

    Sedlmeier, Felix; Horinek, Dominik; Netz, Roland R

    2011-02-09

    We use large-scale classical simulations employing different force fields to study spatial correlations between local density and structural order for water in the liquid temperature range. All force fields investigated reproduce the main features of the experimental SAXS structure factor S(q), including the minimum at small q, and the recent TIP4P/2005 parametrization yields almost quantitative agreement. As local structural order parameters we consider the tetrahedrality and the number of hydrogen bonds and calculate all pure and mixed spatial two-point correlation functions. Except for the density-density correlation function, there are only weak features present in all other correlation functions, showing that the tendency to form structural clusters is much weaker than the well-known tendency of water to form density clusters (i.e., spatially correlated regions where the density deviates from the mean). In particular, there are only small spatial correlations between local density and structural fluctuations, suggesting that features in density-density correlations (such as measured by the structure factor) are not straightforwardly related to spatial correlations of structure in liquid water.

  18. Vibrational frequency fluctuations of ionic vibrational probe in water: Theoretical study with molecular dynamics simulation

    Science.gov (United States)

    Okuda, Masaki; Higashi, Masahiro; Ohta, Kaoru; Saito, Shinji; Tominaga, Keisuke

    2017-09-01

    The vibrational dynamics of SCN- in H2O are theoretically investigated by molecular dynamics simulations. Based on the vibrational solvatochromism theory, we calculate the frequency-frequency time correlation function of the SCN anti-symmetric stretching mode, which is characterized by time constants of 0.13 and 1.41 ps. We find that the frequency fluctuation is almost determined by the electrostatic interaction from the water molecules in the first-hydration shell. The collective dynamics of the water molecules in the first-hydration shell is found to be similar to that of bulk water, though the hydrogen bond between the ion and water molecule is very strong.

  19. 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.

  20. Thermodynamics of Hydration Water around an Antifreeze Protein: A Molecular Simulation Study.

    Science.gov (United States)

    Pandey, Hari Datt; Leitner, David M

    2017-10-19

    We investigate by molecular simulations thermodynamic properties of hydration water and protein, the sensitivity of hydrogen bonds to change in temperature, and hydration water distribution at varying levels of hydration of a hyperactive antifreeze protein, DAFP-1. Hydration water coverage of the protein and partial thermodynamic properties of the hydration water are heterogeneous, different for the water near the ice-binding site (IBS) and the rest of the protein, particularly at low levels of hydration. Overall, we find the partial specific heat of water to be larger at low hydration levels than in the fully hydrated limit, with the separation corresponding roughly to one hydration layer. Differences in the specific heat in the low- and fully hydrated regions are accounted for by the varying sensitivity of water-water and water-protein hydrogen bonds to change in temperature as a function of hydration, most strikingly near the IBS. Using values computed for the specific heat, we estimate the partial entropy of the water and protein. We find the partial entropy of DAFP-1 to be greater in the fully hydrated limit than at low levels of hydration, whereas the partial entropy of water is somewhat smaller.

  1. Complexation Enhancement Drives Water-to-Oil Ion Transport: A Simulation Study

    Energy Technology Data Exchange (ETDEWEB)

    Qiao, Baofu [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne Illinois 60439 USA; Ferru, Geoffroy [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne Illinois 60439 USA; Ellis, Ross J. [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne Illinois 60439 USA; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge Tennessee 37831 USA

    2016-11-23

    We address the structures and energetics of ion solvation in aqueous and organic solutions to understand liquid-liquid ion transport. Atomistic molecular dynamics (MD) simulations with polarizable force field are performed to study the coordination transformations driving lanthanide (Ln(III)) and nitrate ion transport between aqueous and an alkylamide-oil solution. An enhancement of the coordination behavior in the organic phase is achieved in contrast with the aqueous solution. In particular, the coordination number of Ce3+ increases from 8.9 in the aqueous to 9.9 in the organic solutions (from 8 in the aqueous to 8.8 in the organic systems for Yb3+). Moreover, the local coordination environ ment changes dramatically. Potential of mean force calculations show that the Ln(III)-ligand coordination interaction strengths follow the order of Ln(III-)nitrate> Ln(III)-water>Ln(III)-DMDBTDMA. They increase 2-fold in the lipophilic environment in comparison to the aqueous phase, and we attribute this to the shedding of the outer solvation shell. Our findings highlight the importance of outer sphere interactions on the competitive solvation energetics that cause ions to migrate between immiscible phases; an essential ingredient for advancing important applications such as rare earth metal separations. Some open questions in simulating the coordination behavior of heavy metals are also addressed.

  2. Influence of water on alkali-silica reaction: Experimental study and numerical simulations

    Energy Technology Data Exchange (ETDEWEB)

    Poyet, Stephane [CEA Saclay, DEN/DANS/DPC/SCCME/LECBA, B158, 91191 Gif sur Yvette (France); Sellier, Alain [LMDC, INSA PS, 135 Avenue de Rangueil, 31077 Toulouse Cedex 4 (France); Capra, Bruno [Oxand SA, 36bis Avenue Franklin Roosevelt, 77210 Avon (France); Thevenin-Foray, Genevieve [Universite Lyon 1 2MS ETRA GC, 82 Boulevard Niels BOHR, Domaine Scientifique de la DOUA, 69622 Villeurbanne Cedex (France); Torrenti, Jean-Michel [IRSN, BP17, 92262 Fontenay aux Roses Cedex (France); Tournier-Cognon, Helene [DER DF, Les Renardieres, Route de Sens, Ecuelles, 77818 Moret sur Loing (France); Bourdarot, Eric [Direction de l' Equipement, CIH, Savoie Technolac, 73373 Le Bourget du Lac (France)

    2006-07-01

    Alkali-silica reaction (ASR) is a concrete pathology due to chemical reactions involving reactive silica from reactive aggregates and the inner solution of concrete. Main effects are swelling, cracking, and reduction in the mechanical properties of affected concretes. Water is very important for ASR; the more available water, the more expansion and degradation. This article presents new laws for modeling of the influence of water upon ASR. They are based on experimental results and then used to simulate results taken out of the scientific literature. (authors)

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

    African Journals Online (AJOL)

    Akorede

    KEYWORDS: inhibition, simulated sea-water, corrosion, alloy, concentration, adsorption. [Received May 22 2014; Revised March 23 2015 & May 21 2015; Accepted June 6 2015]. I. INTRODUCTION. Corrosion and its control is a problem of great importance to the engineering industry with the rapid multiplying use of metals ...

  4. Computer simulation study of water/hydrocarbon interfaces: Effects of hydrocarbon branching on interfacial properties

    Science.gov (United States)

    Chowdhary, Janamejaya; Ladanyi, Branka M.

    2009-06-01

    We review here the results of our molecular dynamics (MD) simulation study of water/hydrocarbon liquid/liquid interfaces. In order to examine the effects of chain length and branching on interfacial properties, we considered five different alkanes (n-pentane, 2-methyl pentane, 2,2,4-trimethyl pentane, 2-methyl heptane, and n-octane) as the hydrocarbon phase. We used a recently-proposed procedure to identify molecular surface sites and constructed intrinsic density profiles, in addition to the more familiar laboratory-frame profiles, in order to determine the effects of interface fluctuations on the structure and dynamics of the two phases. We found that interfacial properties of the aqueous phase are relatively insensitive to the molecular structure of the hydrocarbon, even though both branching and chain length have significant influence on the hydrocarbon interfacial properties. We found that translational and rotational mobilities of molecules of both phases are affected by the presence of the interface and that rotational relaxation of water molecules is significantly more anisotropic in the interfacial region than in the bulk.

  5. Assessment of Water Quality Improvements Using the Hydrodynamic Simulation Approach in Regulated Cascade Reservoirs: A Case Study of Drinking Water Sources of Shenzhen, China

    Directory of Open Access Journals (Sweden)

    Ruixiang Hua

    2017-10-01

    Full Text Available Water quality safety is of critical importance in environmental improvement, particularly with respect to drinking water resources worldwide. As the main drinking water sources in Shenzhen, China, the cascade reservoirs comprising the Shiyan, Tiegang, and Xili Reservoirs are highly regulated and have experienced water quality deterioration in recent years. In this study, a three-dimensional hydrodynamic and water quality model was established using the Environmental Fluid Dynamics Code (EFDC for the cascade reservoirs. The relationships between water quality and improvement measures were quantified and the main pollution sources for individual reservoirs were identified. Results showed that the hydrodynamic and water quality model well captured the spatial and temporal variations of water level, the permanganate concentration index (CODMn, and total nitrogen (TN, with high resolution in the cascade reservoirs. The correlation coefficients between simulations and observations were close to 1.00 for water levels, and over 0.50 for CODMn and TN concentrations. The most effective methods for water quality improvement were the reduction of the runoff load for TN and transferred water load for CODMn in the Shiyan Reservoir, reduction of the transferred water load in the Tiegang Reservoir, and an increase in transfer water volume, especially in the flood season, in the Xili Reservoir. Internal pollution sources also played an important role in water pollution, and thus sedimentation should be cleaned up regularly. This study is expected to provide scientific support for drinking water source protection and promote the application of hydrodynamic model in water quality management.

  6. 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.

  7. 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 detailed...... programs or units that were developed in the Ph.D study of " Analysis, Modeling and Optimum Design of Solar Domestic Hot Water Systems"....

  8. 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.

  9. 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

    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...

  10. Residual aluminium in water defluoridated using activated alumina adsorption--modeling and simulation studies.

    Science.gov (United States)

    George, Suja; Pandit, Prabhat; Gupta, A B

    2010-05-01

    The removal of fluoride from drinking water by the method of adsorption on activated alumina is found superior than other defluoridation techniques mostly due to the strong affinity between aluminium and fluoride. Dissolution of aluminium from the alumina surfaces into its free and hydroxide ions in the aqueous medium is reported to be very low, but the presence of high fluoride concentrations may increase its solubility due to the formation of monomeric aluminium fluoride and aluminium hydroxyl fluoride complexes. An Activated Alumina Defluoridation Model Simulator (AAD) has been developed to represent fluoride adsorption on the basis of the surface complexation theory incorporating aspects of aluminium solubility in presence of high fluoride concentrations and pH variations. Model validations were carried out for residual aluminium concentrations in alumina treated water, by conducting a series of batch fluoride adsorption experiments using activated alumina (grade FB101) treating fluoride concentrations of 1-10mg/L, at varying pH conditions. The total residual aluminium in the defluoridated water is due to presence of both dissolved and precipitated Al-F complexed forms. The Freundlich adsorption isotherm was found fit for fluoride adsorption capacity versus residual fluoride concentrations for pH=7.5, and the relationship is given by the linearised equation log(x/m)=logk+(1/n) logC(e) with values of k=0.15mg/g and 1/n=0.45 indicating favorable adsorption. The relationship is linear in the region of low fluoride concentrations, but as concentrations of fluoride increased, the formation of the dissolved AlF(3)(0) complexes was favored than adsorption on alumina, and hence makes the isotherm nonlinear. The AAD simulations can predict for operating fluoride uptake capacity in order to keep the residual aluminium within permissible limits in the alumina treated water.

  11. Solar disinfection of poliovirus and Acanthamoeba polyphaga cysts in water - a laboratory study using simulated sunlight.

    Science.gov (United States)

    Heaselgrave, W; Patel, N; Kilvington, S; Kehoe, S C; McGuigan, K G

    2006-08-01

    To determine the efficacy of solar disinfection (SODIS) in disinfecting water contaminated with poliovirus and Acanthamoeba polyphaga cysts. Organisms were subjected to a simulated global solar irradiance of 850 Wm(-2) in water temperatures between 25 and 55 degrees C. SODIS at 25 degrees C totally inactivated poliovirus after 6-h exposure (reduction of 4.4 log units). No SODIS-induced reduction in A. polyphaga cyst viability was observed for sample temperatures below 45 degrees C. Total cyst inactivation was only observed after 6-h SODIS exposure at 50 degrees C (3.6 log unit reduction) and after 4 h at 55 degrees C (3.3 log unit reduction). SODIS is an effective means of disinfecting water contaminated with poliovirus and A. polyphaga cysts, provided water temperatures of 50-55 degrees C are attained in the latter case. This research presents the first SODIS inactivation curve for poliovirus and provides further evidence that batch SODIS provides effective protection against waterborne protozoan cysts.

  12. Effect of Cu2+ Activation on Interfacial Water Structure at the Sphalerite Surface as Studied by Molecular Dynamics Simulation

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-12-10

    In the first part of this paper, an experimental contact angle study of the fresh and Cu2+ activated sphalerite-ZnS surface as well as the covellite-CuS (001) surface is reported describing the increased hydrophobic character of the surface during Cu2+ activation. In addition to these experimental results, the fresh sphalerite-ZnS (110), copper-zinc sulfide-CuZnS2 (110), villamaninite- CuS2 (100), and covellite-CuS (001) surfaces were examined using Molecular Dynamics Simulation (MDS). Our MDS results on the behavior of interfacial water at the fresh sphalerite-ZnS (110), copper-zinc sulfide-CuZnS2 (110), villamaninite-CuS2 (100), and covellite-CuS (001) surfaces include simulated contact angles, water number density distribution, water dipole orientation, water residence time, and hydrogen-bonding considerations. The copper content at the Cu2+ activated sphalerite surface seems to account for the increased hydrophobicity as revealed by both experimental and MD simulated contact angle measurements. The relatively greater hydrophobic character developed at the Cu2+ activated sphalerite surface and at the copper-zinc sulfide surface has been described by MDS, based on the structure of interfacial water and its dynamic properties. L.X.D. acknowledges funding from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.

  13. Effect of Surface Oxidation on Interfacial Water Structure at a Pyrite (100) Surface as Studied by Molecular Dynamics Simulation

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-06-01

    In the first part of this paper, a Scanning Electron Microscopy and contact angle study of a pyrite surface (100) is reported describing the relationship between surface oxidation and the hydrophilic surface state. In addition to these experimental results, the following simulated surface states were examined using Molecular Dynamics Simulation (MDS): fresh unoxidized (100) surface; polysulfide at the (100) surface; elemental sulfur at the (100) surface. Crystal structures for the polysulfide and elemental sulfur at the (100) surface were simulated using Density Functional Theory (DFT) quantum chemical calculations. The well known oxidation mechanism which involves formation of a metal deficient layer was also described with DFT. Our MDS results of the behavior of interfacial water at the fresh and oxidized pyrite (100) surfaces without/with the presence of ferric hydroxide include simulated contact angles, number density distribution for water, water dipole orientation, water residence time, and hydrogen-bonding considerations. The significance of the formation of ferric hydroxide islands in accounting for the corresponding hydrophilic surface state is revealed not only from experimental contact angle measurements but also from simulated contact angle measurements using MDS. The hydrophilic surface state developed at oxidized pyrite surfaces has been described by MDS, on which basis the surface state is explained based on interfacial water structure. 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 the Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES.

  14. On the origin of the hydrophobic water gap: An X-ray reflectivity and MD simulation study.

    Science.gov (United States)

    Mezger, Markus; Sedlmeier, Felix; Horinek, Dominik; Reichert, Harald; Pontoni, Diego; Dosch, Helmut

    2010-05-19

    The density deficit of water at hydrophobic interfaces, frequently called the hydrophobic gap, has been the subject of numerous experimental and theoretical studies in the past decade. Recent experiments give values for the interfacial depletion that consistently correspond to less than a monolayer of water. The main question which remained so far unanswered is its origin and the mechanisms affected by the chemistry and molecular geometry of a particular hydrophobic coating. In this work, we present a combined high-energy X-ray reflectivity and molecular dynamics simulation study of the water depletion at a perfluorinated hydrophobic interface with a spatial resolution on the molecular scale. A comparison of our experimental and computational results elucidates the underlying mechanisms that affect the extent of the interfacial depletion. The complex interplay between surface chemistry and topography precludes the existence of a direct and universal relation between the macroscopic contact angle and the nanoscopic water depletion.

  15. Simulation studies of long-term saline water use: model validation and evaluation of schedules

    NARCIS (Netherlands)

    Tedeschi, A.; Menenti, M.

    2002-01-01

    In the Mediterranean environment characterized by hot, dry summers, a hydrologically oriented field experiment on vegetable crops was carried out between 1988 and 1993 at a site near Naples, Italy. The objective of the experiment was to study the impact of saline water on crop yield and soil

  16. 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

  17. A molecular dynamics simulations study on ethylene glycol-water mixtures in mesoporous silica

    Science.gov (United States)

    Schmitz, Rebecca; Müller, Niels; Ullmann, Svenja; Vogel, Michael

    2016-09-01

    We perform molecular dynamics simulations to investigate structural and dynamical properties of ethylene glycol-water (EG-WA) mixtures in mesoporous silica. To obtain comprehensive insights into the dependence of liquid behaviors on the confinement features, we exploit that straightforward modification of the force field parameters allows us to vary the properties of the hydrogen-bond network of the confined liquid, we alter the polarity of the silica surface, and we consider amorphous as well as crystalline matrices. It is observed that the confinement induces a micro-phase separation in the liquid, which qualitatively depends on the properties of both liquid and matrix so that EG or WA molecules may be preferentially adsorbed at the silica surface. Furthermore, it is found that the confinement strongly affects the liquid dynamics. Largely independent of the polarity and structure of the matrix, structural relaxation is about a factor of 104 slower at the pore wall than in the pore center. Moreover, the non-Arrhenius temperature dependence of the bulk mixture turns into an Arrhenius behavior of the confined mixture so that the spatial restriction can slow down or speed up the structural relaxation, depending on temperature.

  18. Anisotropic dielectric relaxation of the water confined in nanotubes for terahertz spectroscopy studied by molecular dynamics simulations.

    Science.gov (United States)

    Qi, Wenpeng; Chen, Jige; Yang, Junwei; Lei, Xiaoling; Song, Bo; Fang, Haiping

    2013-07-03

    The dynamics and structure of the hydrogen-bond network in confined water are of importance in understanding biological and chemical processes. Recently, terahertz (THz) time domain spectroscopy was widely applied for studying the kinetics of molecules and the hydrogen-bond network in water. However, the characteristics of the THz spectroscopy varying with respect to the confinement and the mechanism underlying the variation are still unclear. Here, on the basis of molecular dynamics simulations, the relationship between the anisotropic dielectric relaxation and the structure of the water confined in a carbon nanotube (CNT) was investigated. The results show that there are two preferred hydrogen-bond orientations of the confined water in the nanotube: (1) parallel to the CNT axis and (2) perpendicular to the CNT axis, which are clearly different. Moreover, the response of the orientations to the increment of the CNT diameters is opposite, leading to the opposite variations of the dielectric relaxation times along the two directions. The anisotropy in the relaxation time can be presented by the anisotropic dielectric permittivity which is able to be observed through THz spectroscopy. The anormal behaviors above are attributed to the special structure of the water close to the nanotube wall due to the confinement and hydrophobicity of CNT. These studies contribute an important step in understanding the THz experiments of water in nanoscales, and designing a chamber for specific chemical and biological reactions by controlling the diameters and materials of the nanotube.

  19. 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

    2017-05-13

    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.

  20. 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.

  1. Numerical simulation study on erosion mechanism of pre-mixed abrasive water jet

    National Research Council Canada - National Science Library

    Meng, Junqing; Wei, Qingen; Ma, Yechao

    2017-01-01

    ... to simulate single abrasive particle of rock erosion rule and analyze the influence of different particle size, different grinding particle impact velocity, different abrasive particle shape on rock erosion effect...

  2. Effect of surfactant headgroups on the oil/water interface: An interfacial tension measurement and simulation study

    Science.gov (United States)

    Xu, Jiafang; Zhang, Yang; Chen, Haixiang; Wang, Pan; Xie, Zhenhua; Yao, Yongji; Yan, Youguo; Zhang, Jun

    2013-11-01

    In the article, four anionic surfactants with different headgroups and same alkyl tail, sodium dodecyl sulfonate (SDSn), sodium dodecyl sulfate (SDS), sodium dodecyl benzene sulfonate (SDBS), and sodium dodecyl-di(oxyethylene) ether sulfate (AES), are adopted to investigate the influence of headgroup structure on oil-water interfacial tensions. The measured experimental results present that the capability of the four surfactants reducing interfacial tension follows the order of AES > SDBS > SDS > SDSn. Furthermore, molecular dynamic simulation (MD) is conducted to investigate the interfacial property of the four surfactants, and three parameters, interface formation energy, interfacial thickness, interaction between surfactant and water, are proposed to reveal the effecting mechanism of molecular structure on interfacial tension. And then, the polarity is studied by quantum mechanics calculation (QM) to investigate the interaction between headgroup and water molecule. The researched results indicate the addition of oxygen, benzene ring and oxyethyl group would enhance the polarity of surfactant, which induce the increase of interaction between headgroup and water molecule. The inferred interfacial tensions from MD and QM follow the order of AES > SDBS > SDS > SDSn, which is according with the experimental results. The researches explore the correlation between interfacial tensions and different headgroup structures, and these results maybe have some references for designing of high-efficient surfactant.

  3. Simulation studies of ammonia removal from water in a membrane contactor under liquid-liquid extraction mode.

    Science.gov (United States)

    Mandowara, Amish; Bhattacharya, Prashant K

    2011-01-01

    Simulation studies were carried out, in an unsteady state, for the removal of ammonia from water via a membrane contactor. The contactor had an aqueous solution of NH(3) in the lumen and sulphuric acid in the shell side. The model equations were developed considering radial and axial diffusion and convection in the lumen. The partial differential equations were converted by the finite difference technique into a series of stiff ordinary differential equations w.r.t. time and solved using MATLAB. Excellent agreement was observed between the simulation results and experimental data (from the literature) for a contactor of 75 fibres. Excellent agreement was also observed between the simulation results and laboratory-generated data from a contactor containing 10,200 fibres. Our model is more suitable than the plug-flow model for designing the operation of the membrane contactor. The plug-flow model over-predicts the fractional removal of ammonia and was observed to be limited when designing longer contactors. Copyright © 2010 Elsevier Ltd. All rights reserved.

  4. Simulation study of pressure trends in the case of loss of coolant accident in Water Cooled Lithium Lead blanket module

    Energy Technology Data Exchange (ETDEWEB)

    Eboli, Marica, E-mail: marica.eboli@for.unipi.it [DICI-University of Pisa, Pisa (Italy); Del Nevo, Alessandro [ENEA UTIS-TCI, CR Brasimone, Camugnano (Italy); Pesetti, Alessio; Forgione, Nicola [DICI-University of Pisa, Pisa (Italy); Sardain, Pierre [CEA/IRFM Cadarache, St. Paul lez Durance Cedex (France)

    2015-10-15

    Highlights: • Review of the activities performed in the past on lithium-lead water interaction. • SIMMER-III code assessment of pressure trends based on BLAST experiments. • Identifying capabilities and deficiencies of SIMMER in modeling safety phenomena. • Proposal of experimental campaign in support of code validation. - Abstract: The water–lithium lead interaction implies a direct energy release, which leads to temperature and pressure increase, due to a combined thermal and chemical reaction, and an indirect form of energy release, the hydrogen production, due to secondary chemical reaction involving the initial reaction products. Review and understanding of the knowledge acquired in past studies, experimental works and numerical activities are needed in view of the renewed interest in the Water Cooled Lithium Lead blanket concept and safety issues connected with the fusion reactor design. This paper presents a review of the studies carried out in the past to characterize the potential safety concerns associated with the use of water and lithium-lead eutectic alloy, the main experimental campaigns, and numerical simulations of BLAST Test No. 5 performed by SIMMER-III code. As results, no code was found able to perform a satisfactory post-test analysis of separate effect experiments, without engineering assumptions. Therefore, a code model for the exothermic reaction and hydrogen production, and experimental data are needed for solving the WCLL blanket safety issues associated with the water–PbLi interaction.

  5. Simulation of Cavitation Water Flows

    Directory of Open Access Journals (Sweden)

    Piroz Zamankhan

    2015-01-01

    Full Text Available The air-water mixture from an artificially aerated spillway flowing down to a canyon may cause serious erosion and damage to both the spillway surface and the environment. The location of an aerator, its geometry, and the aeration flow rate are important factors in the design of an environmentally friendly high-energy spillway. In this work, an analysis of the problem based on physical and computational fluid dynamics (CFD modeling is presented. The numerical modeling used was a large eddy simulation technique (LES combined with a discrete element method. Three-dimensional simulations of a spillway were performed on a graphics processing unit (GPU. The result of this analysis in the form of design suggestions may help diminishing the hazards associated with cavitation.

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

    Science.gov (United States)

    2015-08-01

    geospatial sciences, water resources , and environmental sciences for the Army, the Department of Defense, civilian agencies, and our nation’s public good... resources , is to build unique grid systems at various resolutions, increasing the reso- lution where it is warranted. Three grid levels ranging from...Gauges Observations Mean (m) Bias (m) RMS error (m) Linear Reg Index of Agreement Obs STW Corr Sym slope ET070 5 355 2.23 2.16 -0.08 0.74

  7. 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.

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

    Directory of Open Access Journals (Sweden)

    J.M. Schouwenaars

    2007-04-01

    Full Text Available 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 water stress so that adequate management measures may be applied. In the work reported here, the respective roles of the hydrophysical properties of the uppermost peat layer and micro-scale site conditions are investigated using a Soil-Water-Atmosphere-Plant (SWAP model, which simulates water table fluctuations and soil moisture conditions. The variables are: (a cover and thickness of the Sphagnum layer, (b microtopography (presence of open water, (c hydrophysical properties of the uppermost soil layer and (d rate of downward seepage. Data for the model are derived from field observations, from published literature, and from laboratory determinations of moisture characteristic curves and saturated and unsaturated hydraulic conductivity (k–h–Θ relationships for peat. The simulation indicates that microtopography and the thickness of the moss layer are the dominant factors affecting groundwater behaviour and the risk of water stress. Sphagnum layers a few centimetres thick should be relatively well supplied with water from the underlying peat but as the Sphagnum carpet thickens, water movement through the unsaturated zone to the growing capitula will become increasingly difficult. Sphagnum layers appear to be most vulnerable to water stress when they are 5–15 cm thick. Beyond this thickness, water stored within the Sphagnum layer itself begins to offset the decline in the flux from below, and thus to reduce the dependence of the water supply to the stem tips on the maintenance of hydraulic continuity with the water table. The results obtained using the model underline the close interdependence between Sphagnum development and the accompanying

  9. Experimental study and numerical simulation of the salinity effect on water-freezing point and ice-melting rate

    Science.gov (United States)

    Qin, N.; Wu, Y.; Wang, H. W.; Wang, Y. Y.

    2017-12-01

    In this paper, based on the background of snowmelt de-icing tools, we studied the effect of salt on freezing point and melting rate of ice through laboratory test and FLUENT numerical simulation analysis. It was confirmed that the freezing point is inversely proportional to the salt solid content, and with the salt solid content increasing, the freezing process of salt water gradually accepts the curing rule of non-crystal solids. At the same temperature, an increase in the salt solid content, the ice melting rate increase by the empirical formula linking the melting time with temperature and salt content. The theoretical aspects of solid/fluid transformation are discussed in detail.

  10. Water confined to a slab geometry : a review of recent computer simulation studies

    NARCIS (Netherlands)

    Zangi, Ronen

    2004-01-01

    The dimensionality of a system largely determines the nature of any long range order that is possible in the solid phase. For this reason considerable effort has been directed towards elucidating the behaviour of materials under confinement and at interfaces. This has ranged from theoretical studies

  11. Simulating Water Resource Availability under Data Scarcity—A Case Study for the Ferghana Valley (Central Asia

    Directory of Open Access Journals (Sweden)

    Iuliia Radchenko

    2014-10-01

    Full Text Available Glaciers and snowmelt supply the Naryn and Karadarya rivers, and about 70% of the water available for the irrigated agriculture in the Ferghana Valley. Nineteen smaller catchments contribute the remaining water mainly from annual precipitation. The latter will gain importance if glaciers retreat as predicted. Hydrological models can visualize such climate change impacts on water resources. However, poor data availability often hampers simulating the contributions of smaller catchments. We tested several data pre-processing methods (gap filling, MODAWEC (MOnthly to DAily WEather Converter, lapse rate and their effect on the performance of the HBV (Hydrologiska Byråns Vattenavdelning-light model. Monte Carlo simulations were used to define parameter uncertainties and ensembles of behavioral model runs. Model performances were evaluated by constrained measures of goodness-of-fit criteria (cumulative bias, coefficient of determination, model efficiency coefficients (NSE for high flow and log-transformed flow. The developed data pre-processing arrangement can utilize data of relatively poor quality (only monthly means or daily data with gaps but still provide model results with NSE between 0.50 and 0.88. Some of these may not be accurate enough to directly guide water management applications. However, the pre-processing supports producing key information that may initiate rigging of monitoring facilities, and enable water management to respond to fundamentally changing water availability.

  12. Study of the possibility of determining mass flow of water from neutron activation measurements with flow simulations and neural networks

    Energy Technology Data Exchange (ETDEWEB)

    Linden, P.; Pazsit, I. [Department of Reactor Physics, Chalmers University of Technology, Goeteborg (Sweden)

    1998-08-01

    Mass flow of water in a pipe can be measured in a non-intrusive way by the pulsed neutron activation (PNA) technique. From such measurements, mass flow can be estimated by various techniques of time averaging, performed on the time-resolved detector signal(s). However, time averaging methods have a few percent systematic error, which, in addition, is not a constant but varies with flow and measurement parameters. Achieving a precision better than 1% from PNA measurements is a hitherto unsolved task. In this paper a methodology is suggested to solve this task and is tested by simulation methods. The method is based on the use of artificial neural networks to determine mass flow rate from the time resolved detector signal. To achieve this, the network needs to be trained on a large number of real detector data. It is suggested that these data should be obtained by advanced numerical simulation of the PNA measurement. In this paper we use a simplified simulation model for a feasibility study of the methodology. It is shown that a neural network is capable to determine the mass flow rate with a precision of about 0.5%. (orig.) [Deutsch] Das Stroemungsverhalten von Wasser in einer Leitung kann nicht-invasiv durch gepulste Neutronenaktivierungsverfahren (PNA) gemessen werden. Durch solche Messungen kann das Stroemungsverhalten mit Hilfe verschiedener Techniken der Mittelung ueber zeitabhaengige Detektorsignale bestimmt werden. Der systematische Fehler von Zeitmittelungsmethoden liegt jedoch bei ein paar Prozent und ist zusaetzlich nicht konstant, sondern variiert mit den Stroemungs- und Messparametern. Das Erreichen einer Genauigkeit von besser als 1% ist also bei Neutronenaktivierungsverfahren ein bisher ungeloestes Problem. In der vorliegenden Arbeit wird eine Methode zur Loesung dieser Aufgabe vorgeschlagen und mit Hilfe von Simulationsverfahren getestet. Die Methode basiert auf der Verwendung von kuenstlichen, neuralen Netzwerken zur Bestimmung des

  13. Discrete Fractional Component Monte Carlo Simulation Study of Dilute Nonionic Surfactants at the Air-Water Interface.

    Science.gov (United States)

    Yoo, Brian; Marin-Rimoldi, Eliseo; Mullen, Ryan Gotchy; Jusufi, Arben; Maginn, Edward J

    2017-09-26

    We present a newly developed Monte Carlo scheme to predict bulk surfactant concentrations and surface tensions at the air-water interface for various surfactant interfacial coverages. Since the concentration regimes of these systems of interest are typically very dilute (≪10-5 mol. frac.), Monte Carlo simulations with the use of insertion/deletion moves can provide the ability to overcome finite system size limitations that often prohibit the use of modern molecular simulation techniques. In performing these simulations, we use the discrete fractional component Monte Carlo (DFCMC) method in the Gibbs ensemble framework, which allows us to separate the bulk and air-water interface into two separate boxes and efficiently swap tetraethylene glycol surfactants C10E4 between boxes. Combining this move with preferential translations, volume biased insertions, and Wang-Landau biasing vastly enhances sampling and helps overcome the classical "insertion problem", often encountered in non-lattice Monte Carlo simulations. We demonstrate that this methodology is both consistent with the original molecular thermodynamic theory (MTT) of Blankschtein and co-workers, as well as their recently modified theory (MD/MTT), which incorporates the results of surfactant infinite dilution transfer free energies and surface tension calculations obtained from molecular dynamics simulations.

  14. Comparison of numerical simulations and laboratory studies of shock waves and cavitation bubble growth produced by optical breakdown in water

    Energy Technology Data Exchange (ETDEWEB)

    Chapyak, E.J.; Godwin, R.P. [Los Alamos National Lab., NM (United States); Vogel, A. [Medizinisches Laserzentrum Luebeck GmbH (Germany)

    1997-04-01

    In numerical calculations of idealized bubble dynamics test problems, Los Alamos computational tools perform well. A realistic equation of state must be used and geometrical features must be carefully modeled to simulate experiments accurately. In this work, we compare numerical simulations taking these features into account with experiments performed at the Medizinisches Laserzentrum Lubeck. We compare the measured and calculated positions of the shock front and of the bubble wall as a function of time in the laser optical breakdown of water produced by 30-ps 1-mJ Nd:YAG laser pulses.

  15. 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

  16. Models, Simulations and Games for Water Management: A Comparative Q-Method Study in The Netherlands and China

    Directory of Open Access Journals (Sweden)

    Qiqi Zhou

    2017-12-01

    Full Text Available Abstract: How do policy analysts perceive the various roles that Models, Simulations and Games (MSG have, or can have in Integrated Water Resources Management (IWRM? Fifty-five policy analysts in water management in The Netherlands and China were interviewed, following the procedure of the Q-method. Comparative analysis of the combined quantitative and qualitative data show that: (1 The debate on the role of MSG for IWRM is structured around five frames in The Netherlands and three frames in China. (2 The frames in The Netherlands and China are significantly different. (3 In China, there is a predominant frame that perceives MSG for IWRM as data driven simulation technology for rationalization of water management, which is less significant in The Netherlands. (4 The reverse is true with regard to MSG for stakeholder interaction, learning and integrated assessment, which are significant frames in The Netherlands, but not in China. The conclusion is that frame differences can easily confuse professional and academic debate about MSG for water management; within the same institutional and cultural context, but even more so in Netherlands–China co-operation projects. Frames are also relevant when designing, using or evaluating innovative methods for integrated water resources management.

  17. 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

  18. 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…

  19. 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

  20. 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).

  1. 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

  2. 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.

  3. Global cloud liquid water path simulations

    Energy Technology Data Exchange (ETDEWEB)

    Lemus, L. [Southern Hemisphere Meteorology, Clayton, Victoria (Australia); Rikus, L. [Bureau of Meteorology Research Centre, Melbourne, Victoria (Australia); Martin, C.; Platt, R. [CSIRO, Aspendale, Victoria (Australia)

    1997-01-01

    A new parameterization of cloud liquid water and ice content has been included in the Bureau of Meteorology Global Assimilation and Prediction System. The cloud liquid water content is derived from the mean cloud temperatures in the model using an empirical relationship based on observations. The results from perpetual January and July simulations are presented and show that the total cloud water path steadily decreases toward high latitudes, with two relative maxima at midlatitudes and a peak at low latitudes. To validate the scheme, the simulated fields need to be processed to produce liquid water paths that can be directly compared with the corresponding field derived from Special Sensor Microwave/Imager (SSM/I) data. This requires the identification of cloud ice water content within the parameterization and a prescription to account for the treatment of strongly precipitating subgrid-scale cloud. The resultant cloud liquid water paths agree qualitatively with the SSM/I data but show some systematic errors that are attributed to corresponding errors in the model`s simulation of cloud amounts. Given that a more quantitative validation requires substantial improvement in the model`s diagnostic cloud scheme, the comparison with the SSM/I data indicates that the cloud water path, derived from the cloud liquid water content parameterization introduced in this paper, is consistent with the observations and can be usefully incorporated in the prediction system. 40 refs., 11 figs., 1 tab.

  4. Molecular Dynamics Simulations of Carbon Nanotubes in Water

    Science.gov (United States)

    Walther, J. H.; Jaffe, R.; Halicioglu, T.; Koumoutsakos, P.

    2000-01-01

    We study the hydrophobic/hydrophilic behavior of carbon nanotubes using molecular dynamics simulations. The energetics of the carbon-water interface are mainly dispersive but in the present study augmented with a carbon quadrupole term acting on the charge sites of the water. The simulations indicate that this contribution is negligible in terms of modifying the structural properties of water at the interface. Simulations of two carbon nanotubes in water display a wetting and drying of the interface between the nanotubes depending on their initial spacing. Thus, initial tube spacings of 7 and 8 A resulted in a drying of the interface whereas spacing of > 9 A remain wet during the course of the simulation. Finally, we present a novel particle-particle-particle-mesh algorithm for long range potentials which allows for general (curvilinear) meshes and "black-box" fast solvers by adopting an influence matrix technique.

  5. Extended period simulation (EPS) modelling of urban water ...

    African Journals Online (AJOL)

    Water distribution network was constructed, calibrated and validated for extended period simulation studies using the network's physical, operational, calibration and validation data. The model was then applied to evaluate: (i) effects of fluctuating water demand on system storage over 24 hour period and (ii) level of service ...

  6. A Long-Term Study of the Microbial Community Structure in a Simulated Chloraminated Drinking Water Distribution System - abstract

    Science.gov (United States)

    Many US water treatment facilities use chloramination to limit regulated disinfectant by-product formation. However, chloramination has been shown to promote nitrifying bacteria, and 30 to 63% of water utilities using secondary chloramine disinfection experience nitrification ep...

  7. 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 water structure at 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.

  8. A Long-Term Study of the Microbial Community Structure in a Simulated Chloraminated Drinking Water Distribution System

    Science.gov (United States)

    Free chlorine is used as the primary disinfectant in most drinking water distribution systems(DWDS). However, chlorine disinfection promotes the formation of disinfectant by-products (DBPs)and as a result, many US water treatment facilities use chloramination to ensure regulatory...

  9. SIMULATION OF SOME PARAMETERS OF PLANT WATER RELATION IN MAIZE

    Directory of Open Access Journals (Sweden)

    A ANDA

    2002-11-01

    Full Text Available Investigations on simulation of plant temperature and stomatal resistance in maize by using the microclimate simulation model of Goudriaan (1977 were carried out at Keszthely Agrometeorological Research Station, during the growing season of 2001. The size of plot was 0.5 ha, because of parallel investigations done on the elements of microclimate. To facilitate the validation of the model field observations were measured. Two watering levels, rainfed plots with natural rainfall only, and irrigated plant stand were applied in simulation study. We irrigated the plants by using the amounts of crop water stress index with +drop irrigation system. The limit value for watering was the CWSI >0,25. In summer of 2001 the weather was dry and hot. The lack of water was substituted by 170 mm irrigation water on 4 occasions. To validate the model the root mean square deviation (RMSD between a number of pairs of simulated and measured microclimate elements was applied. The estimation of plant temperature was very accurate, the error of simulation was below 0.5 degree for noon irrigated plots and 0.3 degree for irrigated ones. The accuracy in stomatal resistance simulation was weaker than that of plant temperature, the error was 5.9 % for nonirrigated, and 21 % for irrigated plots. The estimation of stomatal resistance for irrigated plants need further refinement, but this requires changes in the basic equations of the model.

  10. 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...

  11. 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

  12. A CASE STUDY USING THE EPA'S WATER QUALITY MODELING SYSTEM, THE WINDOWS INTERFACE FOR SIMULATING PLUMES (WISP)

    Science.gov (United States)

    Wisp, the Windows Interface for Simulating Plumes, is designed to be an easy-to-use windows platform program for aquatic modeling. Wisp inherits many of its capabilities from its predecessor, the DOS-based PLUMES (Baumgartner, Frick, Roberts, 1994). These capabilities have been ...

  13. 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.

  14. Solvation shell dynamics studied by molecular dynamics simulation in relation to the translational and rotational dynamics of supercritical water and benzene

    Science.gov (United States)

    Yoshida, Ken; Matubayasi, Nobuyuki; Nakahara, Masaru

    2007-11-01

    The solvation shell dynamics of supercritical water is analyzed by molecular dynamics simulation with emphasis on its relationship to the translational and rotational dynamics. The relaxation times of the solvation number (τS), the velocity autocorrelation function (τD), the angular momentum correlation function (τJ), and the second-order reorientational correlation function (τ2R) are studied at a supercritical temperature of 400°C over a wide density region of 0.01-1.5gcm-3. The relaxation times are decomposed into those conditioned by the solvation number n, and the effect of the short-ranged structure is examined in terms of its probability Pn of occurrence. In the low to medium-density range of 0.01-0.4gcm-3, the time scales of water dynamics are in the following sequence: τD>τS≳τJ≳τ2R. This means that the rotation in supercritical water is of the "in-shell" type while the translational diffusion is not. The comparison to supercritical benzene is also performed and the effect of hydrogen bonding is examined. The water diffusion is not of the in-shell type up to the ambient density of 1.0gcm-3, which corresponds to the absence of the transition from the collision to the Brownian picture, whereas such transition is present in the case of benzene. The absence of the transition in water comes from the fast reorganization of the hydrogen bonds and the enhanced mobility of the solvation shell in supercritical conditions.

  15. Porous organic cage membranes for water desalination: a simulation exploration.

    Science.gov (United States)

    Kong, Xian; Jiang, Jianwen

    2017-07-19

    Porous organic cages (POCs) have emerged as a new class of porous materials and received considerable interest for their potential applications. Herein we report the first proof-of-concept simulation study on POC membranes for water desalination. Five [4+6] POCs (CC1, CC2, CC3, CC16, and CC17) are considered with similar crystal structures, but different periphery groups and pore morphologies. CC1 is found to be impermeable to water due to disconnected pores. With an interconnected tetrahedral pore network, CC3 and CC16 have an intermediate water permeability of 1-5 × 10-7 kg m (m2 h bar)-1. CC2 and CC17 contain straight pores and a widely open pore network, respectively, thus exhibit a high water permeability of 2-3 × 10-6 kg m (m2 h bar)-1; nevertheless, salt rejection in CC17 is only 89%. Among the five POC membranes, CC2 is the best for water desalination with performance superior to other membranes reported in the literature. The membrane flexibility is revealed to have a weak effect on water permeation. To provide further microscopic understanding, the permeation duration, diffusion and hydrogen bonding of water in the POC membranes are quantitatively analyzed. From this simulation study, the key factors governing water permeation in the POC membranes are unraveled and CC2 is identified to be an interesting candidate for water desalination.

  16. Resilience Simulation for Water, Power & Road Networks

    Science.gov (United States)

    Clark, S. S.; Seager, T. P.; Chester, M.; Eisenberg, D. A.; Sweet, D.; Linkov, I.

    2014-12-01

    The increasing frequency, scale, and damages associated with recent catastrophic events has called for a shift in focus from evading losses through risk analysis to improving threat preparation, planning, absorption, recovery, and adaptation through resilience. However, neither underlying theory nor analytic tools have kept pace with resilience rhetoric. As a consequence, current approaches to engineering resilience analysis often conflate resilience and robustness or collapse into a deeper commitment to the risk analytic paradigm proven problematic in the first place. This research seeks a generalizable understanding of resilience that is applicable in multiple disciplinary contexts. We adopt a unique investigative perspective by coupling social and technical analysis with human subjects research to discover the adaptive actions, ideas and decisions that contribute to resilience in three socio-technical infrastructure systems: electric power, water, and roadways. Our research integrates physical models representing network objects with examination of the knowledge systems and social interactions revealed by human subjects making decisions in a simulated crisis environment. To ensure a diversity of contexts, we model electric power, water, roadway and knowledge networks for Phoenix AZ and Indianapolis IN. We synthesize this in a new computer-based Resilient Infrastructure Simulation Environment (RISE) to allow individuals, groups (including students) and experts to test different network design configurations and crisis response approaches. By observing simulated failures and best performances, we expect a generalizable understanding of resilience may emerge that yields a measureable understanding of the sensing, anticipating, adapting, and learning processes that are essential to resilient organizations.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-12-31

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

  18. 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

  19. Removal of arsenic from drinking water by chemical precipitation--a modeling and simulation study of the physical-chemical processes.

    Science.gov (United States)

    Pal, Parimal; Ahammad, Sk Ziauddin; Pattanayak, Abhinandan; Bhattacharya, Pinaki

    2007-04-01

    A dynamic mathematical model was developed for removal of arsenic from drinking water by chemical coagulation-precipitation and was validated experimentally in a bench-scale set-up. While examining arsenic removal efficiency of the scheme under different operating conditions, coagulant dose, pH and degree of oxidation were found to have pronounced impact. Removal efficiency of 91-92% was achieved for synthetic feed water spiked with 1 mg/L arsenic and pre-oxidized by potassium permanganate at optimum pH and coagulant dose. Model predictions corroborated well with the experimental findings (the overall correlation coefficient being 0.9895) indicating the capability of the model in predicting performance of such a treatment plant under different operating conditions. Menu-driven, user-friendly Visual Basic software developed in the study will be very handy in quick performance analysis. The simulation is expected to be very useful in full-scale design and operation of the treatment plants for removal of arsenic from drinking water.

  20. Molecular dynamics simulation study of hydration of uranyl nitrate in supercritical water: Dissecting the effect of uranyl ion concentration from solvent density

    Science.gov (United States)

    Chopra, Manish; Choudhury, Niharendu

    2017-09-01

    All atom molecular dynamics simulations of uranyl ions in supercritical water are used to dissect the effects of concentration of uranyl ions and density of water on various structural and dynamic properties of the solutions. The analyses of radial distribution functions as a function of concentration of the uranyl ion and water density reveal that the effect of the former on the local structure is negligible as compared to the same of the later. The number of hydration water of the uranyl ion has been observed to increase with increasing density of the water, but it decreases with the increasing concentration of the uranyl ions. The orientational distributions are observed to be independent of variation in concentration of the uranyl ion, same as the case was with water density. The translational and rotational dynamics of the water molecules have been investigated from the respective mean squared displacements and time correlation functions. Although increase of both the concentration of the uranyl ions and the density of water reduces translational diffusivity of water as well as uranyl ions, the effect of changing water density is more than that of uranyl concentrations. However, orientational relaxation of various molecular vectors of the water molecule is practically unchanged with any variation in concentration of the uranyl ions and it changes only slightly with the change in water density. Unlike at ambient condition, orientational dynamics at supercritical conditions remains virtually unchanged with the change in uranyl ion concentration.

  1. Adsorption of Water on JSC-1A Lunar Simulant Samples

    Science.gov (United States)

    Goering, John; Sah, Shweta; Burghaus, Uwe; Street, Kenneth W.

    2008-01-01

    Remote sensing probes sent to the moon in the 1990s indicated that water may exist in areas such as the bottoms of deep, permanently shadowed craters at the lunar poles, buried under regolith. Water is of paramount importance for any lunar exploration and colonization project which would require self-sustainable systems. Therefore, investigating the interaction of water with lunar regolith is pertinent to future exploration. The lunar environment can be approximated in ultra-high vacuum systems such as those used in thermal desorption spectroscopy (TDS). Questions about water dissociation, surface wetting, degree of crystallization, details of water-ice transitions, and cluster formation kinetics can be addressed by TDS. Lunar regolith specimens collected during the Apollo missions are still available though precious, so testing with simulant is required before applying to use lunar regolith samples. Hence, we used for these studies JSC-1a, mostly an aluminosilicate glass and basaltic material containing substantial amounts of plagioclase, some olivine and traces of other minerals. Objectives of this project include: 1) Manufacturing samples using as little raw material as possible, allowing the use of surface chemistry and kinetics tools to determine the feasibility of parallel studies on regolith, and 2) Characterizing the adsorption kinetics of water on the regolith simulant. This has implications for the probability of finding water on the moon and, if present, for recovery techniques. For condensed water films, complex TDS data were obtained containing multiple features, which are related to subtle rearrangements of the water adlayer. Results from JSC-1a TDS studies indicate: 1) Water dissociation on JSC-1a at low exposures, with features detected at temperatures as high as 450 K and 2) The formation of 3D water clusters and a rather porous condensed water film. It appears plausible that the sub- m sized particles act as nucleation centers.

  2. A study of the effect of overshooting deep convection on the water content of the TTL and lower stratosphere from Cloud Resolving Model simulations

    Directory of Open Access Journals (Sweden)

    D. P. Grosvenor

    2007-09-01

    Full Text Available Simulations of overshooting, tropical deep convection using a Cloud Resolving Model with bulk microphysics are presented in order to examine the effect on the water content of the TTL (Tropical Tropopause Layer and lower stratosphere. This case study is a subproject of the HIBISCUS (Impact of tropical convection on the upper troposphere and lower stratosphere at global scale campaign, which took place in Bauru, Brazil (22° S, 49° W, from the end of January to early March 2004.

    Comparisons between 2-D and 3-D simulations suggest that the use of 3-D dynamics is vital in order to capture the mixing between the overshoot and the stratospheric air, which caused evaporation of ice and resulted in an overall moistening of the lower stratosphere. In contrast, a dehydrating effect was predicted by the 2-D simulation due to the extra time, allowed by the lack of mixing, for the ice transported to the region to precipitate out of the overshoot air.

    Three different strengths of convection are simulated in 3-D by applying successively lower heating rates (used to initiate the convection in the boundary layer. Moistening is produced in all cases, indicating that convective vigour is not a factor in whether moistening or dehydration is produced by clouds that penetrate the tropopause, since the weakest case only just did so. An estimate of the moistening effect of these clouds on an air parcel traversing a convective region is made based on the domain mean simulated moistening and the frequency of convective events observed by the IPMet (Instituto de Pesquisas Meteorológicas, Universidade Estadual Paulista radar (S-band type at 2.8 Ghz to have the same 10 dBZ echo top height as those simulated. These suggest a fairly significant mean moistening of 0.26, 0.13 and 0.05 ppmv in the strongest, medium and weakest cases, respectively, for heights between 16 and 17 km. Since the cold point and WMO (World Meteorological Organization tropopause in

  3. Water adsorption on hydrophilic and hydrophobic self-assembled monolayers as proxies for atmospheric surfaces. A grand canonical Monte Carlo simulation study.

    Science.gov (United States)

    Szori, Milán; Jedlovszky, Pál; Roeselová, Martina

    2010-05-14

    Grand canonical Monte Carlo simulations are used to determine water adsorption on prototypical organic surfaces as a function of relative humidity at 300 K. Three model surfaces formed by well-ordered self-assembled monolayers (SAMs) of alkanethiolate chains on gold are investigated: (i) a smooth hydrophobic surface of methyl-terminated C(7)-CH(3) SAM; (ii) a rough hydrophobic surface of randomly mixed two-component SAM, composed of equal fractions of C(5)-CH(3) and C(7)-CH(3) chains (C(5)/C(7)-CH(3) SAM); and (iii) a smooth hydrophilic surface of carboxyl-terminated C(7)-COOH SAM. The all atom CHARMM22 force field is used for the SAM chains together with the SPC/E model for water. No noticeable water adsorption is observed on the smooth hydrophobic surface up to saturation. The mild surface roughness introduced by the uneven chain length of the two components constituting the C(5)/C(7)-CH(3) SAM has no significant effect on the surface hydrophobicity, and the rough hydrophobic surface also remains dry up to the point when water condensation occurs. In contrast, water readily adsorbs onto the hydrophilic surface by forming hydrogen bonds with the COOH groups of the substrate. In addition, hydrogen bonding with pre-adsorbed water molecules contributes to the mechanism of water uptake. Under low humidity conditions, water is present on the hydrophilic surface as individual molecules or small water clusters and, with increasing relative humidity, the surface coverage grows continuously beyond a monolayer formation. The adsorbed water film is observed to be rather inhomogeneous with patches of bare surface exposed. The amount of water constituting a stable adsorption layer prior to condensation is estimated to consist of about 2-5 molecular layers. Detailed analysis of the simulation results is used to obtain important insights into the structure and energetics of water adsorbed on highly oxidized organic surfaces exposed to ambient air of increasing relative humidity.

  4. Human health risk assessment of ground water contaminated with petroleum PAHs using Monte Carlo simulations: A case study of an Indian metropolitan city.

    Science.gov (United States)

    Rajasekhar, Bokam; Nambi, Indumathi M; Govindarajan, Suresh Kumar

    2018-01-01

    Underground pipelines are frequently used to transport petroleum fuels, through industrial as well as residential zones. Chennai is one of the four largest metropolitan cities of India. The region of interest in this study is located in the northern part of the Chennai. Ground water of this area was contaminated with polyaromatic hydrocarbons (PAHs) from the leaking oil storage tanks and pipe lines. Health risk assessment was conducted for exposure to PAHs in the ground water using incremental life time cancer risk (ILCR) models coupled with benzo[a]pyrene toxic equivalent method. The exposure pathways considered in this study were direct water ingestion and dermal contact under residential scenario. Exposure input parameters were transformed to statistical parameters using lognormal/uniform distributions and resultant probabilities of cancer risk were estimated by performing Monte Carlo simulations. Preliminary remediation goals were predicted using the combination of the cancer risk models of all the exposure routes with the consideration of high-safety risk of 1-in-1 million. Results showed that the cancer risk is predominantly contributed (greater than 98%) by dermal exposure than the oral in both adults and children. The total ILCR is found to be greater than a low safety risk of 1-in-10,000 with higher probability percentages (>90%). The 95th percentile values of the risk were presented in order to address the need for remediation. Appropriate remedial and treatment methods for the subject site were proposed. The results of the study will be useful for the regulatory boards and policy makers in India in understanding the actual impact of the contamination on receptors, setting up final remediation goals and deciding on a specific remedial method. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Direct Phase Equilibrium Simulations of NIPAM Oligomers in Water.

    Science.gov (United States)

    Boţan, Vitalie; Ustach, Vincent; Faller, Roland; Leonhard, Kai

    2016-04-07

    NIPAM (N-isopropylacrylamide)-based polymers in water show many interesting properties in experiments, including a lower critical solution temperature (LCST) at 305 K and a conformational transition of single chains at the same temperature. The results of many simulation studies suggest that standard force fields are able to describe the conformational transition and the phase equilibrium well. We show by performing long molecular dynamics simulations of the direct liquid-liquid phase equilibrium of NIPAM trimers in water that there is no LCST in the expected temperature range for any of the force fields under study. The results show further that the relaxation times of single-chain simulations are considerably longer than anticipated. Conformational transitions of single polymers can therefore not necessarily be used as surrogates for a real phase transition.

  6. 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

  7. 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.

  8. Cave Water Studies.

    Science.gov (United States)

    O'Keefe, Elizabeth S.

    1996-01-01

    Describes a comparative study project where seventh grade students tested water samples from 10 cave sites that had been tested 24 years ago in a study that had attempted to determine if pollution in the environment had reached cave water. Discusses lab skills and some results of the study. (JRH)

  9. 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

  10. 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.

  11. Comparison of Microbial Communities in a Simulated Chloraminated Drinking Water Distribution System Subjected to Episodes of Nitrification

    Science.gov (United States)

    Bacterial populations were examined in a simulated chloraminated drinking water distribution system. After six months of continuous operation, coupons were incubated in CDC reactors receiving water from the simulated system to study biofilm development. The study was organized ...

  12. Purified water quality study

    Energy Technology Data Exchange (ETDEWEB)

    Spinka, H.; Jackowski, P.

    2000-04-03

    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.

  13. 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.

  14. 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.

  15. Water adsorption in hydrophilic zeolites: experiment and simulation

    OpenAIRE

    Castillo, Juan Manuel; Silvestre-Albero, Juaquin; Rodriguez-Reinoso, Francisco; Vlugt, Thijs J. H.; CALERO, Sofia

    2013-01-01

    We have measured experimental adsorption isotherms of water in zeolite LTA4A, and studied the regeneration process by performing subsequent adsorption cycles after degassing at different temperatures. We observed incomplete desorption at low temperatures, and cation rearrangement at successive adsorption cycles. We also developed a new molecular simulation force field able to reproduce experimental adsorption isotherms in the range of temperatures between 273 K and 374 K. Small deviations obs...

  16. Aggregation behaviors of PEO-PPO-ph-PPO-PEO and PPO-PEO-ph-PEO-PPO at an air/water interface: experimental study and molecular dynamics simulation.

    Science.gov (United States)

    Gong, Houjian; Xu, Guiying; Liu, Teng; Xu, Long; Zhai, Xueru; Zhang, Jian; Lv, Xin

    2012-09-25

    The block polyethers PEO-PPO-ph-PPO-PEO (BPE) and PPO-PEO-ph-PEO-PPO (BEP) are synthesized by anionic polymerization using bisphenol A as initiator. Compared with Pluronic P123, the aggregation behaviors of BPE and BEP at an air/water interface are investigated by the surface tension and dilational viscoelasticity. The molecular construction can influence the efficiency and effectiveness of block polyethers in decreasing surface tension. BPE has the most efficient ability to decrease surface tension of water among the three block polyethers. The maximum surface excess concentration (Γ(max)) of BPE is larger than that of BEP or P123. Moreover, the dilational modulus of BPE is almost the same as that of P123, but much larger than that of BEP. The molecular dynamics simulation provides the conformational variations of block polyethers at the air/water interface.

  17. 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

  18. 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…

  19. Computer simulation of water desalination through boron nitride nanotubes.

    Science.gov (United States)

    Liang, Lijun; Li, Jia-Chen; Zhang, Li; Zhang, Zhisen; Shen, Jia-Wei; Li, Lihua; Wu, Jianyang

    2017-11-15

    Development of high-efficiency and low-cost seawater desalination technologies is critical to solving the global water crisis. Herein we report a fast water filtering method with high salt rejection by boron nitride nanotubes (BNNTs). The effect of the radius of BNNTs on water filtering and salt rejection was investigated by molecular dynamics (MD) simulation. Our simulation results demonstrate that fast water permeation and high salt rejection could be achieved by BNNT(7,7) under both high pressure and low pressure. The potential of mean force (PMF) of Na+ ion and water molecule through BNNT(7,7) further revealed the mechanism of seawater desalination by BNNT(7,7). Using BNNT(7,7) array, a 10 cm2 nanotube membrane with 1.5 × 1013 pores per cm2 will produce freshwater with a flow rate of 98 L per day per MPa under 100 MPa. Our study shows the potential application of BNNTs membrane for fast and efficient desalination.

  20. Simulating Space Capsule Water Landing with Explicit Finite Element Method

    Science.gov (United States)

    Wang, John T.; Lyle, Karen H.

    2007-01-01

    A study of using an explicit nonlinear dynamic finite element code for simulating the water landing of a space capsule was performed. The finite element model contains Lagrangian shell elements for the space capsule and Eulerian solid elements for the water and air. An Arbitrary Lagrangian Eulerian (ALE) solver and a penalty coupling method were used for predicting the fluid and structure interaction forces. The space capsule was first assumed to be rigid, so the numerical results could be correlated with closed form solutions. The water and air meshes were continuously refined until the solution was converged. The converged maximum deceleration predicted is bounded by the classical von Karman and Wagner solutions and is considered to be an adequate solution. The refined water and air meshes were then used in the models for simulating the water landing of a capsule model that has a flexible bottom. For small pitch angle cases, the maximum deceleration from the flexible capsule model was found to be significantly greater than the maximum deceleration obtained from the corresponding rigid model. For large pitch angle cases, the difference between the maximum deceleration of the flexible model and that of its corresponding rigid model is smaller. Test data of Apollo space capsules with a flexible heat shield qualitatively support the findings presented in this paper.

  1. 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.

  2. 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.

  3. 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.

  4. Molecular dynamics stimulations to study laser dye aggregation in water (comparison with experiments); Simulations par dynamique moleculaire de la dimerisation de colorants laser en phase aqueuse (confrontation avec l'experience)

    Energy Technology Data Exchange (ETDEWEB)

    Dare-Doyen, St.; Doizi, D. [CEA Saclay, Dept. des Procedes d' Enrichissement (DCC/DPE/SPCP), 91 - Gif-sur-Yvette (France)

    2000-07-01

    A laser facility consists of dye laser chains where the active medium is composed of fluorescent dyes dissolved in ethanol. The use of water as a solvent would offer two major advantages: greater safety of the laser facility by drastically reducing fire risks, easier design of the laser beam correcting devices required at the end of the dye laser chains, thanks to the properties of water. Unfortunately, laser dyes exhibit poor optical properties in water, due to the formation of dye aggregates. Molecular dynamics simulations were used to study and develop means to prevent this behavior between two charged species. The results were compared with NMR (Nuclear Magnetic Resonance) experiments.

  5. Uncertainty in Multimodel Water Flow Simulation Associated with Pedotransfer Functions and Weighing Methods

    Science.gov (United States)

    Multimodeling (MM) has been developed during the last decade to improve prediction capability of hydrological models. The MM combined with the pedotransfer functions (PTFs) was successfully applied to soil water flow simulations. This study examined the uncertainty in water content simulations assoc...

  6. 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.

  7. 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.

  8. 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...... algorithms. We use this method to determine the slip length and hydrodynamic radius for water flow past a buckyball....

  9. Individual Water Purifier Study

    Science.gov (United States)

    2007-11-01

    study participants (Appendix A) who contributed their time and expertise to the analysis described in this report. 5 Blank 6 CONTENTS 1. INTRODUCTION ...and Weaknesses of Individual Devices ....................... 44 8 INDIVIDUAL WATER PURIFIER STUDY 1. INTRODUCTION This study was performed to evaluate...Data were gathered on each device and documented in a database. A Multi-Criteria Decision Model ( MCDM ) was developed, and a panel of experts assessed

  10. Mathematical Simulation of Sediment and Radionuclide Transport in Surface Waters

    Energy Technology Data Exchange (ETDEWEB)

    ,

    1981-04-01

    The study objective of "The Mathematical Simulation of Sediment and Radionuclide Transport in Surface Waters" is to synthesize and test radionuclide transport models capable of realistically assessing radionuclide transport in various types of surface water bodies by including the sediment-radionuclide interactions. These interactions include radionuclide adsorption by sediment; desorption from sediment into water; and transport, deposition, and resuspension of sorbed radionuclides controlled by the sediment movements. During FY-1979, the modification of sediment and contaminant (radionuclide) transport model, FETRA, was completed to make it applicable to coastal waters. The model is an unsteady, two-dimensional (longitudinal and lateral) model that consists of three submodels (for sediment, dissolved-contaminant, and particulate-contaminant transport), coupled to include the sediment-contaminant interactions. In estuaries, flow phenomena and consequent sediment and radionuclide migration are often three-dimensional in nature mainly because of nonuniform channel cross-sections, salinity intrusion, and lateral-flow circulation. Thus, an unsteady, three-dimensional radionuclide transport model for estuaries is also being synthesized by combining and modifying a PNL unsteady hydrothermal model and FETRA. These two radionuclide transport models for coastal waters and estuaries will be applied to actual sites to examine the validity of the codes.

  11. Simulation of DNA in water/ethanol mixture

    Science.gov (United States)

    Wen, Jing; Shen, Hao; Zhai, Yan-Rong; Zhang, Feng-Shou

    2016-05-01

    The study of B-DNA in mixed solvent comprised of water and ethanol with different concentrations at 298 K has been conducted by molecular dynamics simulation. We find that the structure of DNA is easily affected by the aqueous environment. Property and structure changes of the solvent will influence the local structure of DNA helix, induce the conformation transition between different forms, and even cause the degeneration of DNA. The addition of ethanol can reduce the activity of water, changes the solvent structure around DNA. DNA in the solvent with low concentration of ethanol changes little, when the ethanol increases in the solvent, large structure changes occur at the ends of the helix first, then show the characters of A-form, the minor groove becomes wider and shallower, and the length is shortened when in the solvent with the concentration of 0.88 g/cm3. The mechanism behind is discussed, and we find the competition between the solvent molecules and counterions coupling to the free oxygen atoms of the phosphate groups, and the breaking of the spin of water both contribute to the structure changes of DNA in the simulation.

  12. 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.

  13. 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

    , 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......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...... of hydraulic head, stream flow, and inflow to sewage works are used to calibrate the model parameters. The model has its strength in quantifying interactions between the many subsystems and dissecting impacts from groundwater abstraction, surface infrastructure, and past climate changes on the urban water...

  14. Direct simulation of liquid water dynamics in the gas channel of a polymer electrolyte fuel cell

    NARCIS (Netherlands)

    Qin, C.; Rensink, D.; Hassanizadeh, S.M.; Fell, S.

    2012-01-01

    For better water management in gas channels (GCs) of polymer electrolyte fuel cells (PEFCs), a profound understanding of the liquid water dynamics is needed. In this study, we propose a novel geometrical setup to conduct a series of direct simulations of the liquid water dynamics in a GC. The

  15. Water scarcity and economic damage in Europe: regionally relevant simulations from 2000 to 2050

    Science.gov (United States)

    Bernhard, Jeroen; de Roo, Ad; Bisselink, Bernard; Gelati, Emiliano; Karssenberg, Derek; de Jong, Steven

    2017-04-01

    Water availability is unequally distributed across Europe. Where certain regions experience a surplus of water, other areas have limited water availability which causes economic damage to the water using sectors such as households, industries or agriculture. Future changes in climatic and socio-economic conditions are expected to further increase the competition for available water that is already present in Europe. This means there is an increasing need for models that are able to simulate this multi-sectorial system of water availability and demand and incorporate the socio-economic component required for robust decisions and policy support. We present our modelling study which is focused at providing regionally relevant pan-European water scarcity and economic damage simulations. First we developed regionally relevant pan-European water demand simulations for the household and industry sector from 2000 up to 2050. For the household sector we developed a model to simulate water use based on water price, income and several other relevant variables at NUTS-3 level (over 1200 regions in Europe). Alternatively, we modelled industrial water use based on regionally downscaled water productivity values at the national level for ten sub-sections of the NACE (Nomenclature of Economic Activities) classification for economic activities. Subsequently we used scenario projections of our explanatory variables to make scenario simulations of water demand from 2000 up to 2050 at pan-European scale with unprecedented spatial and sub-sectorial detail. In order to analyze the European water use system we integrated these water demand scenarios into the hydrological rainfall-runoff model called LISFLOOD (Distributed Water Balance and Flood Simulation Model), which incorporates a vegetation module for the simulation of crop yield and irrigation water demand of the agriculture sector. We simulated river discharge and groundwater availability for abstractions of water using sectors

  16. Measurements and simulations of water transport in maize plants

    Science.gov (United States)

    Heinlein, Florian; Klein, Christian; Thieme, Christoph; Priesack, Eckart

    2017-04-01

    In Central Europe climate change will become manifest in the increase of extreme weather events like flash floods, heat waves and summer droughts, and in a shift of precipitation towards winter months. Therefore, regional water availability will alter which has an effect on future crop growth, water use efficiency and yields. To better estimate these effects accurate model descriptions of transpiration and other parts of the water balance are important. In this study, we determined transpiration of four maize plants on a field of the research station Scheyern (about 40km North of Munich) by means of sap flow measurement devices (ICQ International Pty Ltd, Australia) using the Heat-Ratio-Method: two temperature probes, 0.5 cm above and below a heater, detect a heat pulse and its speed which facilitates the calculation of sap flow. Additionally, high resolution changes of stem diameters were measured with dendrometers (DD-S, Ecomatik). The field was also situated next to an eddy covariance station which provided latent heat fluxes from the soil-plant system. We also performed terrestrial laser scans of the respective plants to extract the plant architectures. These structures serve as input for our mechanistic transpiration model simulating the water transport within the plant. This model, which has already been successfully applied to single Fagus sylvatica L. trees, was adapted to agricultural plants such as maize. The basic principle of this model is to solve a 1-D Richards equation along the graph of the single plants. A comparison between the simulations and the measurements is presented and discussed.

  17. Molecular dynamics simulation of a polysorbate 80 micelle in water

    NARCIS (Netherlands)

    Amani, Amir; York, Peter; de Waard, Hans; Anwar, Jamshed

    2011-01-01

    The structure and dynamics of a single molecule of the nonionic surfactant polysorbate 80 (POE (20) sorbitan monooleate; Tween 80 (R)) as well as a micelle comprising sixty molecules of polysorbate 80 in water have been investigated by molecular dynamics simulation. In its free state in water the

  18. 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...

  19. 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.

  20. 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...

  1. Fluorescence imaging of spatial location of lipids and proteins during digestion of protein-stabilized oil-in-water emulsions: A simulated gastrointestinal tract study.

    Science.gov (United States)

    Mun, Saehun; Kim, Jisu; McClements, David Julian; Kim, Yong-Ro; Choi, Yongdoo

    2017-03-15

    A whey protein isolate-rhodamine B conjugate (WPI-RB) was synthesized to visualize changes in the location of a protein emulsifier in oil-in-water emulsions during digestion. An oil-soluble dye (Nile Red) was used to visualize changes in the lipid phase during digestion. Protein-labeled and lipid-labeled emulsions were passed through a simulated gastrointestinal tract consisting of mouth, stomach, and intestinal phases, and changes in protein and lipid location and morphology were monitored using confocal laser scanning microscopy. The proteins remained attached to the lipid droplet surfaces in the mouth and stomach, but formed large aggregates in the small intestine. The lipid droplets were highly flocculated in the mouth, highly coalesced in the stomach, and fully digested in the small intestine. Our results show that conjugation of fluorescence dyes to protein emulsifiers is useful for direct visualization of their location, as well as for understanding the behavior of food emulsions within the gastrointestinal tract. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. Shallow water simulations of Saturn's giant storms at different latitudes

    Science.gov (United States)

    García-Melendo, E.; Sánchez-Lavega, A.

    2017-04-01

    Shallow water simulations are used to present a unified study of three major storms on Saturn (nicknamed as Great White Spots, GWS) at different latitudes, polar (1960), equatorial (1990), and mid-latitude (2010) (Sánchez-Lavega, 2004; Sánchez-Lavega et al., 2011). In our model, the three GWS are initiated by introducing a Gaussian function pulse at the latitude of the observed phenomena with controlled horizontal size and amplitude. This function represents the convective source that has been observed to trigger the storm. A growing disturbance forms when the pulse reacts to ambient winds, expanding zonally along the latitude band of the considered domain. We then compare the modeled potential vorticity with the cloud field, adjusting the model parameters to visually get the closest aspect between simulations and observations. Simulations of the 2010 GWS (planetographic latitude ∼+40º, zonal velocity of the source ∼-30 m s-1) indicate that the Coriolis forces and the wind profile structure shape the disturbance generating, as observed, a long region to the east of the convective source with a high speed peripheral anticyclonic circulation, and a long-lived anticyclonic compact vortex accompanied by strong zonal advection on the southern part of the storm forming a turbulent region. Simulations of the equatorial 1990 GWS (planetographic latitude +12º-+5º, zonal velocity of the source 365-400 m s-1) show a different behavior because of the intense eastward jet, meridional shear at the equatorial region, and low latitude dynamics. A round shaped source forms as observed, with the rapid growth of a Kelvin-Helmholtz instability on the north side of the source due to advection and to the strong meridional wind shear, whereas at the storm latitude the disturbance grows and propagates eastward. The storm nucleus is the manifestation of a Rossby wave, while the eastward propagating planetary-scale disturbance is a gravity-Rossby wave trapped around the equator

  3. Dynamic simulation of multicomponent reaction transport in water distribution systems.

    Science.gov (United States)

    Munavalli, G R; Mohan Kumar, M S M S

    2004-04-01

    Given the presence of nutrients, regrowth of bacteria within a distribution system is possible. The bacterial growth phenomena, which can be studied by developing a multicomponent (substrate, biomass and disinfectant) reaction transport model, is governed by its relationship with the substrate (organic carbon) and disinfectant (chlorine). The multicomponent reaction transport model developed in the present study utilizes the simplified expressions for the basic processes (in bulk flow and at pipe wall) such as bacterial growth and decay, attachment to and detachment from the surface, substrate utilization and disinfectant action involved in the model. The usefulness of the model is further enhanced by the incorporation of an expression for bulk reaction parameter relating it with the organic carbon. The model is validated and applied to study the sensitive behavior of the components using a hypothetical network. The developed model is able to simulate the biodegradable organic carbon threshold in accordance with the values reported in the literature. The spread of contaminant intruded into the system at any location can also be simulated by the model. The multicomponent model developed is useful for water supply authorities in identifying the locations with high substrate concentrations, bacterial growth and lower chlorine residuals.

  4. Molecular dynamics simulations of water on a hydrophilic silica surface at high air pressures

    DEFF Research Database (Denmark)

    Zambrano, H.A.; Walther, Jens Honore; Jaffe, R.L.

    2014-01-01

    Wepresent a force field forMolecular Dynamics (MD) simulations ofwater and air in contactwith an amorphous silica surface. We calibrate the interactions of each species present in the systemusing dedicated criteria such as the contact angle of a water droplet on a silica surface, and the solubility...... of air in water at different pressures. Using the calibrated force field, we conduct MD simulations to study the interface between a hydrophilic silica substrate and water surrounded by air at different pressures. We find that the static water contact angle is independent of the air pressure imposed...

  5. 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.

  6. 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.)

  7. 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.

  8. 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.

  9. 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...

  10. Shallow Water Simulations of the Three Last Saturn's Giant Storms

    Science.gov (United States)

    Garcia-Melendo, Enrique; Sanchez-Lavega, Agustin

    2015-11-01

    Shallow Water (SW) simulations are used to present a unified study of the polar (1960), equatorial (1990), and mid-latitude (2010) major storms in Saturn nicknamed as Great White Spots (GWS). The 2010 GWS appeared at +40, moved at -30 m s-1 where the Coriolis force is predominant producing an open anticyclone with a high speed peripheral circulation and a cloud front around the convective source; a long-lived anticyclone; and strong zonal advection on the south part of the storm forming a turbulent region. The 1990 GWS onset took place near the equator, between +12 and +5, on the broad prograde equatorial jet (450 m s-1) where equatorial dynamics dominated producing a storm nucleus, with rapid expansion to the west of a Kelvin-Helmholtz instability on the north side of the perturbation due to advection, and trapped equatorial waves which also expanded the storm to the east around the equator. The 1960 GWS appeared at high latitudes (+56) where Coriolis force is predominant in a region where zonal wind velocity is 0 m s-1. SW simulations predict a strong injection of relative vorticity which may produce large anticyclones on the anticyclonic side of the zonal profile, and a quick turbulent expansion on the background cyclonic regions at mid and high latitudes. In general, simulations indicate that negative relative vorticity injected by the storms also defines the natural interaction with the zonal winds at latitudes where the Coriolis force is dominant dictating its large scale dynamical behavior. Numerical experiments on the 1990 storm indicate that the onset of the storm can only be reproduced if the Voyager era background zonal flow is used, which suggests that it dominated the circulation dynamics at the storm’s outbreak region at that time. They also reproduce its most important morphological features, and show the production of planetary waves and turbulence. We discuss possible mechanism for the observed equatorial jet alterations during the storm

  11. 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.

  12. 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).

  13. 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.

  14. Molecular dynamics simulations of water, solution, and clay mineral-water systems (Invited)

    Science.gov (United States)

    Kawamura, K.

    2009-12-01

    Clays and clay minerals together with zeolites are major mineral components in the earth's surface environment. These minerals interact with the atmosphere, natural water, inorganic and organic components in soils, etc. Physicochemical processes in the surface region are generally complex and difficult to understand because of the complicated "molecular" structures and the ambient conditions under wet circumstances. We have investigated the structure and physical/dynamical properties of the mineral-gas/liquid systems by means of molecular simulation methods; molecular dynamics and Metropolis Monte Carlo methods. Swelling of smectite and adsorption of inorganic molecules in clay minerals and zeolites, etc. were simulated and analyzed on the basis of the atomic and molecular processes. We have developed atomic and molecular interaction models of inorganic systems. The models compose of electrostatic, short range repulsive, van der Waals and covalent (radial and angular) terms with respect to all the elements appeared in the mineral-water systems. All of our molecular dynamics simulations (MD) were performed with full degree of freedom of atom motions. Using the model for H2O molecule, the structure and physical properties such as density, diffusion coefficients, etc. of ice polymorphs and water are well reproduced. Alkaliharide aqueous solutions and gas hydrates and their (hydrophobic) solutions are also reasonably simulated. Clay mineral-water interactions are particularly important to understand the mechanical and chemical processes in the environments, in order to develop nano-composite materials, and to use clays in engineering applications. Absorption and swelling are the most remarkable properties of clay minerals, specially smectite. We have investigate these properties by means of molecular simulation methods using various clay minerals-water/solution systems. The swelling curves, the relation between humidity and the basal spacings, were reproduced

  15. Comparative Genomic Analysis of Nontuberculous Mycobacteria (NTM) and Environmental Isolates Associated with a Simulated Chloraminated Drinking Water Distribution System Subjected to Episodes of Nitrification - poster #2168

    Science.gov (United States)

    Bacterial populations were examined in a simulated chloraminated drinking water distribution system. After six months of continuous operation, coupons were incubated in CDC reactors receiving water from the simulated system to study biofilm development. The distribution system wa...

  16. Comparative Genomic Analysis of Nontuberculous Mycobacteria (NTM) and Environmental isolates associated with a Simulated Chloraminated Drinking Water Distribution System Subjected to Episodes of Nitrification

    Science.gov (United States)

    Bacterial populations were examined in a simulated chloraminated drinking water distribution system. After six months of continuous operation, coupons were incubated in CDC reactors receiving water from the simulated system to study biofilm development. The distribution system ...

  17. Continuum simulations of water flow in carbon nanotube membranes

    DEFF Research Database (Denmark)

    Popadić, A.; Walther, Jens Honore; Koumoutsakos, P-

    2014-01-01

    We propose the use of the Navier–Stokes equations subject to partial-slip boundary conditions to simulate water flows in Carbon NanoTube (CNT) membranes. The finite volume discretizations of the Navier–Stokes equations are combined with slip lengths extracted from molecular dynamics (MD) simulati......We propose the use of the Navier–Stokes equations subject to partial-slip boundary conditions to simulate water flows in Carbon NanoTube (CNT) membranes. The finite volume discretizations of the Navier–Stokes equations are combined with slip lengths extracted from molecular dynamics (MD......) simulations to predict the pressure losses at the CNT entrance as well as the enhancement of the flow rate in the CNT. The flow quantities calculated from the present hybrid approach are in excellent agreement with pure MD results while they are obtained at a fraction of the computational cost. The method...... enables simulations of system sizes and times well beyond the present capabilities of MD simulations. Our simulations provide an asymptotic flow rate enhancement and indicate that the pressure losses at the CNT ends can be reduced by reducing their curvature. More importantly, our results suggest...

  18. Numerical simulation of free water surface in pump intake

    Science.gov (United States)

    Zhao, L. J.; Nohmi, M.

    2012-11-01

    The purpose of this paper is to verify the volume of fluid (VOF) method for simulating the free water surface flow in pump intake. With the increasing computer power, VOF method has been becoming a more flexible and accurate choice to replace the conventional fixed water surface method, because it does not require assumptions on the nature of air-water interface. Two examples are presented in this paper. The first example is presented for simulating the growth of air-entrained vortices. LES (Large Eddy Simulation) model, instead of RANS (Reynolds averaged Navier-Stokes) turbulence model, is used to capture the peak of circular velocity around the vortex core. Numerical result shows good agreement with the benchmark experiment carried by the Turbomachinery Society of Japan. The second example predicts the flow rate distribution in the pump intake consisting of one opened and two closed channels. VOF result is compared with the conventional fixed water surface method assuming free-slip boundary condition on the fluid interface. The difference of flow pattern in the opened channel indicates that numerical flow field is affected remarkably by the setup of boundary condition at air-water interface.

  19. Simulations and field observations of root water uptake in plots with different soil water availability.

    Science.gov (United States)

    Cai, Gaochao; Vanderborght, Jan; Couvreur, Valentin; Javaux, Mathieu; Vereecken, Harry

    2015-04-01

    Root water uptake is a main process in the hydrological cycle and vital for water management in agronomy. In most models of root water uptake, the spatial and temporal soil water status and plant root distributions are required for water flow simulations. However, dynamic root growth and root distributions are not easy and time consuming to measure by normal approaches. Furthermore, root water uptake cannot be measured directly in the field. Therefore, it is necessary to incorporate monitoring data of soil water content and potential and root distributions within a modeling framework to explore the interaction between soil water availability and root water uptake. But, most models are lacking a physically based concept to describe water uptake from soil profiles with vertical variations in soil water availability. In this contribution, we present an experimental setup in which root development, soil water content and soil water potential are monitored non-invasively in two field plots with different soil texture and for three treatments with different soil water availability: natural rain, sheltered and irrigated treatment. Root development is monitored using 7-m long horizontally installed minirhizotubes at six depths with three replicates per treatment. The monitoring data are interpreted using a model that is a one-dimensional upscaled version of root water uptake model that describes flow in the coupled soil-root architecture considering water potential gradients in the system and hydraulic conductances of the soil and root system (Couvreur et al., 2012). This model approach links the total root water uptake to an effective soil water potential in the root zone. The local root water uptake is a function of the difference between the local soil water potential and effective root zone water potential so that compensatory uptake in heterogeneous soil water potential profiles is simulated. The root system conductance is derived from inverse modelling using

  20. Impact of microwave derived soil moisture on hydrologic simulations using a spatially distributed water balance model

    Science.gov (United States)

    Lin, D. S.; Wood, E. F.; Famiglietti, J. S.; Mancini, M.

    1994-01-01

    Spatial distributions of soil moisture over an agricultural watershed with a drainage area of 60 ha were derived from two NASA microwave remote sensors, and then used as a feedback to determine the initial condition for a distributed water balance model. Simulated hydrologic fluxes over a period of twelve days were compared with field observations and with model predictions based on a streamflow derived initial condition. The results indicated that even the low resolution remotely sensed data can improve the hydrologic model's performance in simulating the dynamics of unsaturated zone soil moisture. For the particular watershed under study, the simulated water budget was not sensitive to the resolutions of the microwave sensors.

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

    Science.gov (United States)

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

    2016-02-01

    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.

  2. 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.

  3. Dynamic simulation of water resources in an urban wetland based on coupled water quantity and water quality models.

    Science.gov (United States)

    Zeng, Weibo; Xu, Youpeng; Deng, Xiaojun; Han, Longfei; Zhang, Qianyu

    2015-01-01

    Water quality in wetlands plays a huge role in maintaining the health of the wetland ecosystem. Water quality should be controlled by an appropriate water allocation policy for the protection of the wetlands. In this paper, models of rainfall/runoff, non-point source pollution load, water quantity/quality, and dynamic pollutant-carrying capacity were established to simulate the water quantity/quality of Xixi-wetland river network (in the Taihu basin, China). The simulation results showed a satisfactory agreement with field observations. Furthermore, a 'node-river-node' algorithm that adjusts to the 'Three Steps Method' was adopted to improve the dynamic pollutant-carrying capacity model and simulate the pollutant-carrying capacity in benchmark years. The simulation result shows that the water quality of the river network could reach class III stably all year round if the anthropogenic pollution is reduced to one-third of the current annual amount. Further investigation estimated the minimum amount of water diversion in benchmark years under the reasonable water quantity-regulating rule to keep water quality as class III. With comparison of the designed scale, the water diversion can be reduced by 184 million m3 for a dry year, 191 million m3 for a normal year, and 198 million m3 for a wet year.

  4. 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.

  5. Preimpoundment Water Quality Study

    Science.gov (United States)

    1981-12-01

    Passiflora incarnara No Camin N,-tn P. lutea Crossvixe Anisosticus capreolata Climbing hydrangea Decumaria barbara PJapanese Honeysuckle Lonicera japonica...Impatiens, Balsam Impatiens balsandina Curly Dock Rumex Plantain Plantago virginica Water Hemlock Cicuta maculata Violet Viola floridana Ironweied Sida acuta

  6. A comparison of simulation models for predicting soil water dynamics in bare and vegetated lysimeters

    Energy Technology Data Exchange (ETDEWEB)

    Link, S.O.; Kickert, R.N.; Fayer, M.J.; Gee, G.W.

    1993-06-01

    This report describes the results of simulation models used to predict soil water storage dynamics at the Field Lysimeter Test Facility (FLTF) weighing lysimeters. The objectives of this research is to develop the capability to predict soil water storage dynamics with plants in support of water infiltration control studies for the Hanford Permanent Isolation Barrier Development Program. It is important to gain confidence in one`s ability to simulate soil water dynamics over long time periods to assess the barrier`s ability to prevent drainage. Two models were compared for their ability to simulate soil water storage dynamics with and without plants in weighing lysimeters, the soil water infiltration and movement (SWIM) and the simulation of production and utilization of rangelands (SPUR-91) models. These models adequately simulated soil water storage dynamics for the weighing lysimeters. The range of root mean square error values for the two models was 7.0 to 19.8. This compares well with the range reported by Fayer et al. (1992) for the bare soil data sets of 8.1 to 22.1. Future research will test the predictive capability of these models for longer term lysimeter data sets and for historical data sets collected in various plant community types.

  7. A decision support tool for sustainable planning of urban water systems: presenting the Dynamic Urban Water Simulation Model.

    Science.gov (United States)

    Willuweit, Lars; O'Sullivan, John J

    2013-12-15

    Population growth, urbanisation and climate change represent significant pressures on urban water resources, requiring water managers to consider a wider array of management options that account for economic, social and environmental factors. The Dynamic Urban Water Simulation Model (DUWSiM) developed in this study links urban water balance concepts with the land use dynamics model MOLAND and the climate model LARS-WG, providing a platform for long term planning of urban water supply and water demand by analysing the effects of urbanisation scenarios and climatic changes on the urban water cycle. Based on potential urbanisation scenarios and their effects on a city's water cycle, DUWSiM provides the functionality for assessing the feasibility of centralised and decentralised water supply and water demand management options based on forecasted water demand, stormwater and wastewater generation, whole life cost and energy and potential for water recycling. DUWSiM has been tested using data from Dublin, the capital of Ireland, and it has been shown that the model is able to satisfactorily predict water demand and stormwater runoff. Copyright © 2013 Elsevier Ltd. All rights reserved.

  8. Numerical simulation of the water entry of a structure in free fall motion

    Science.gov (United States)

    Chen, Qingtong; Ni, Baoyu; Chen, Shuping; Tang, Jiangguang

    2014-06-01

    To solve the problems concerning water entry of a structure, the RANS equations and volume of fluid (VOF) method are used. Combining the user-defined function (UDF) procedure with dynamic grids, the water impact on a structure in free fall is simulated, and the velocity, displacement and the pressure distribution on the structure are investigated. The results of the numerical simulation were compared with the experimental data, and solidly consistent results have been achieved, which validates the numerical model. Therefore, this method can be used to study the water impact problems of a structure.

  9. The DOE Water Cycle Pilot Study

    Energy Technology Data Exchange (ETDEWEB)

    Miller, N.L.; King, A.W.; Miller, M.A.; Springer, E.P.; Wesely, M.L.; Bashford, K.E.; Conrad, M.E.; Costigan, K.; Foster, P.N.; Gibbs, H.K.; Jin, J.; Klazura, J.; Lesht, B.M.; Machavaram, M.V.; Pan, F.; Song, J.; Troyan, D.; Washington-Allen, R.A.

    2003-09-20

    A Department of Energy (DOE) multi-laboratory Water Cycle Pilot Study (WCPS) investigated components of the local water budget at the Walnut River Watershed in Kansas to study the relative importance of various processes and to determine the feasibility of observational water budget closure. An extensive database of local meteorological time series and land surface characteristics was compiled. Numerical simulations of water budget components were generated and, to the extent possible, validated for three nested domains within the Southern Great Plains; the DOE Atmospheric Radiation Measurement/Cloud Atmospheric Radiation Testbed (ARM/CART), the Walnut River Watershed (WRW), and the Whitewater Watershed (WW), Kansas A 2-month Intensive Observation Period (IOP) was conducted to gather detailed observations relevant to specific details of the water budget, including fine-scale precipitation, streamflow, and soil moisture measurements not made routinely by other programs. Event and season al water isotope (delta 18O, delta D) sampling in rainwater, streams, soils, lakes, and wells provided a means of tracing sources and sinks within and external to the WW, WRW, and the ARM/CART domains. The WCPS measured changes in leaf area index for several vegetation types, deep groundwater variations at two wells, and meteorological variables at a number of sites in the WRW. Additional activities of the WCPS include code development toward a regional climate model with water isotope processes, soil moisture transect measurements, and water level measurements in ground water wells.

  10. An Integrated Model for Simulating Regional Water Resources Based on Total Evapotranspiration Control Approach

    Directory of Open Access Journals (Sweden)

    Jianhua Wang

    2014-01-01

    Full Text Available Total evapotranspiration and water consumption (ET control is considered an efficient method for water management. In this study, we developed a water allocation and simulation (WAS model, which can simulate the water cycle and output different ET values for natural and artificial water use, such as crop evapotranspiration, grass evapotranspiration, forest evapotranspiration, living water consumption, and industry water consumption. In the calibration and validation periods, a “piece-by-piece” approach was used to evaluate the model from runoff to ET data, including the remote sensing ET data and regional measured ET data, which differ from the data from the traditional hydrology method. We applied the model to Tianjin City, China. The Nash-Sutcliffe efficiency (Ens of the runoff simulation was 0.82, and its regression coefficient R2 was 0.92. The Nash-Sutcliffe Efficiency (Ens of regional total ET simulation was 0.93, and its regression coefficient R2 was 0.98. These results demonstrate that ET of irrigation lands is the dominant part, which accounts for 53% of the total ET. The latter is also a priority in ET control for water management.

  11. Rainfall simulation experiments: Influence of water temperature, water quality and plot design on soil erosion and runoff

    Science.gov (United States)

    Iserloh, Thomas; Pegoraro, Dominique; Schlösser, Angelika; Thesing, Hannah; Seeger, Manuel; Ries, Johannes B.

    2015-04-01

    Field rainfall simulators are designed to study soil erosion processes and provide urgently needed data for various geomorphological, hydrological and pedological issues. Due to the different conditions and technologies applied, there are several methodological aspects under review of the scientific community, particularly concerning design, procedures and conditions of measurement for infiltration, runoff and soil erosion. This study aims at contributing fundamental data for understanding rainfall simulations in depth by studying the effect of the following parameters on the measurement results: 1. Plot design - round or rectangular plot: Can we identify differences in amount of runoff and erosion? 2. Water quality: What is the influence of the water's salt load on interrill erosion and infiltration as measured by rainfall experiments? 3. Water temperature: How much are the results conditioned by the temperature of water, which is subject to changes due to environmental conditions during the experiments? Preliminary results show a moderate increase of soil erosion with the water's salt load while runoff stays almost on the same level. With increasing water temperature, runoff increases continuously. At very high temperatures, soil erosion is clearly increased. A first comparison between round and rectangular plot indicates the rectangular plot to be the most suitable plot shape, but ambiguous results make further research necessary. The analysis of these three factors concerning their influence on runoff and erosion shows that clear methodological standards are necessary in order to make rainfall simulation experiments comparable.

  12. Theoretical Studies of AQP4 in Water and Gas Phases, Nano Simulation of the Monte Carlo Method by Molecular Mechanics Force Fields

    OpenAIRE

    Ebrahim Shahmansoorian; Maryam Hashemy; Saharnaz Ahmadi; Zohreh Jamali; Nastaran Asghari Moghaddam; Reza Rasoolzadeh

    2014-01-01

    Aquaporins are membrane water channels that play critical roles in controlling the water contents of cells. These channels are widely distributed in all kingdoms of life, including bacteria, plants, and mammals. More than ten different aquaporins have been found in human body, and several diseases, such as congenital cataracts and nephrogenic diabetes insipidus, are connected to the impaired function of these channels. They form tetramers in the cell membrane, and facilitate the transport of ...

  13. 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.

  14. Simulating potential water grabbing from large-scale land acquisitions in Africa}

    Science.gov (United States)

    Li Johansson, Emma; Fader, Marianela; Seaquist, Jonathan W.; Nicholas, Kimberly A.

    2017-04-01

    The potential high level of water appropriation in Africa by foreign companies might pose high socioenvironmental challenges, including overconsumption of water and conflicts and tensions over water resources allocation. We will present a study published recently in the Proceedings of the National Academy of Sciences11 of the USA, where we simulated green and blue water demand and crop yields of large-scale land acquisitions in several African countries. Green water refers to precipitation stored in soils and consumed by plants through evapotranspiration, while blue water is extracted from rivers, lakes, aquifers, and dams. We simulated seven irrigation scenarios, and compared these data with two baseline scenarios of staple crops representing previous water demand. The results indicate that the green and blue water use is 39% and 76-86% greater, respectively, for crops grown on acquired land compared with the baseline of common staple crops, showing that land acquisitions substantially increase water demands. We also found that most land acquisitions are planted with crops such as sugarcane, jatropha, and eucalyptus, that demand volumes of water >9,000 m3ṡha-1. And even if the most efficient irrigation systems were implemented, 18% of the land acquisitions, totaling 91,000 ha, would still require more than 50% of water from blue water sources.

  15. 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

  16. 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....... The use of a mass conserving specular wall results in turn to spurious oscillations in the density profile of the atomistic description of water. These oscillations can be eliminated by using an external boundary force that effectively accounts for the virial component of the pressure. In this Rapid...

  17. 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.

  18. A coupled surface-water and ground-water flow model (MODBRANCH) for simulation of stream-aquifer interaction

    Science.gov (United States)

    Swain, Eric D.; Wexler, Eliezer J.

    1996-01-01

    stages calculated by BRANCH, aquifer properties, and stresses. This process is repeated until convergence criteria are met for head and stage. Because time steps used in ground-water modeling can be much longer than time intervals used in surface- water simulations, provision has been made for handling multiple BRANCH time intervals within one MODFLOW time step. An option was also added to BRANCH to allow the simulation of channel drying and rewetting. Testing of the coupled model was verified by using data from previous studies; by comparing results with output from a simpler, four-point implicit, open-channel flow model linked with MODFLOW; and by comparison to field studies of L-31N canal in southern Florida.

  19. Comparison of Microbial Communities in a Simulated Chloraminated Drinking Water Distribution System Subjected to Episodes of Nitrification (poster)

    Science.gov (United States)

    Bacterial populations were examined in a simulated chloraminated drinking water distribution system (i.e. PVC pipe loop). After six months of continuous operation, coupons were incubated in CDC reactors receiving water from the simulated system to study biofilm development. The s...

  20. The Consortium for Advanced Simulation of Light Water Reactors

    Energy Technology Data Exchange (ETDEWEB)

    Ronaldo Szilard; Hongbin Zhang; Doug Kothe; Paul Turinsky

    2011-10-01

    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.

  1. Reliable and efficient injury assessment for free-fall lifeboat occupants during water entry: Correlation study between lifeboat acceleration indicators and simulated human injury responses

    NARCIS (Netherlands)

    Dam, E. van; Uittenbogaard, J.; Reinholdtsen, S.A.; Fouques, S.; Sauder, T.

    2014-01-01

    The evacuation of personnel from an offshore installation in severe weather conditions is generally ensured by free-fall lifeboats. During the water entry phase of the launch, the lifeboat may be subject to large acceleration loads that may cause harmful acceleration-induced loads on the occupants.

  2. Comparisons of Simulated Hydrodynamics and Water Quality for Projected Demands in 2046, Pueblo Reservoir, Southeastern Colorado

    Science.gov (United States)

    Ortiz, Roderick F.; Galloway, Joel M.; Miller, Lisa D.; Mau, David P.

    2008-01-01

    2002) were compared to the No Action scenario (projected demands in 2046) to assess changes in water quality over time. All scenario modeling used an external nutrient-decay model to simulate degradation and assimilation of nutrients along the riverine reach upstream from Pueblo Reservoir. Reservoir modeling was conducted using the U.S. Army Corps of Engineers CE-QUAL-W2 two-dimensional water-quality model. Lake hydrodynamics, water temperature, dissolved oxygen, dissolved solids, dissolved ammonia, dissolved nitrate, total phosphorus, algal biomass, and total iron were simulated. Two reservoir site locations were selected for comparison. Results of simulations at site 3B were characteristic of a riverine environment in the reservoir while results at site 7B (near the dam) were characteristic of the main body of the reservoir. Simulation results for the epilimnion and hypolimnion at these two sites also were evaluated and compared. The simulation results in the hypolimnion at site 7B were indicative of the water quality leaving the reservoir. Comparisons of the different scenario results were conducted to assess if substantial differences were observed between selected scenarios. Each of the scenarios was simulated for three contiguous years representing a wet, average, and dry annual hydrologic cycle (water years 2000 through 2002). Additionally, each selected simulation scenario was evaluated for differences in direct- and cumulative-effects on a particular scenario. Direct effects are intended to isolate the future effects of the scenarios. Cumulative effects are intended to evaluate the effects of the scenarios in conjunction with all reasonably foreseeable future activities in the study area. Comparisons between the direct- and cumulative-effects analyses indicated that there were not large differences in the results between most of the simulation scenarios and, as such, the focus of this report was on results for the direct-effects analysis. Addi

  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. Water table effects on measured and simulated fluxes in weighing lysimeters for differently-textured soils

    Directory of Open Access Journals (Sweden)

    Wegehenkel Martin

    2015-03-01

    Full Text Available Weighing lysimeters can be used for studying the soil water balance and to analyse evapotranspiration (ET. However, not clear was the impact of the bottom boundary condition on lysimeter results and soil water movement. The objective was to analyse bottom boundary effects on the soil water balance. This analysis was carried out for lysimeters filled with fine- and coarse-textured soil monoliths by comparing simulated and measured data for lysimeters with a higher and a lower water table. The eight weighable lysimeters had a 1 m2 grass-covered surface and a depth of 1.5 m. The lysimeters contained four intact monoliths extracted from a sandy soil and four from a soil with a silty-clay texture. For two lysimeters of each soil, constant water tables were imposed at 135 cm and 210 cm depths. Evapotranspiration, change in soil water storage, and groundwater recharge were simulated for a 3-year period (1996 to 1998 using the Hydrus-1D software. Input data consisted of measured weather data and crop model-based simulated evaporation and transpiration. Snow cover and heat transport were simulated based on measured soil temperatures. Soil hydraulic parameter sets were estimated (i from soil core data and (ii based on texture data using ROSETTA pedotransfer approach. Simulated and measured outflow rates from the sandy soil matched for both parameter sets. For the sand lysimeters with the higher water table, only fast peak flow events observed on May 4, 1996 were not simulated adequately mainly because of differences between simulated and measured soil water storage caused by ET-induced soil water storage depletion. For the silty-clay soil, the simulations using the soil hydraulic parameters from retention data (i were matching the lysimeter data except for the observed peak flows on May, 4, 1996, which here probably resulted from preferential flow. The higher water table at the lysimeter bottom resulted in higher drainage in comparison with the lysimeters

  5. Simulations and spectra of water in CO matrices.

    Science.gov (United States)

    Escribano, Rafael; Artacho, Emilio; Kouchi, Akira; Hama, Tetusya; Kimura, Yuki; Hidaka, Hiroshi; Watanabe, Naoki

    2017-03-08

    Models for the inclusion of water molecules in carbon monoxide matrices are developed using density functional theory applied to amorphous solid systems. The models cover a large range of systems for smaller or larger CO matrices with different water content, consisting of either individual H2O molecules or small clusters linked by H-bonds. The vibrational spectra of the samples are predicted at the minimum of their potential energy surface. The spectra allow instances where the water molecules remain isolated or form aggregates to be discerned, and they also provide an indication of the strength of the H-bonding, when present. The calculations support recent experimental observations that linked IR bands at 3707 cm-1 and 3617 cm-1 to the presence of unbound water molecules in water-poor CO/H2O mixed ices. Assignment of some observed bands to water dimers or trimers is suggested as well. The residual static pressure in fixed-volume simulation cells is also calculated.

  6. 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.

  7. Evaluation of Crop-Water Consumption Simulation to Support Agricultural Water Resource Management using Satellite-based Water Cycle Observations

    Science.gov (United States)

    Gupta, M.; Bolten, J. D.; Lakshmi, V.

    2016-12-01

    Water scarcity is one of the main factors limiting agricultural development. Numerical models integrated with remote sensing datasets are increasingly being used operationally as inputs for crop water balance models and agricultural forecasting due to increasing availability of high temporal and spatial resolution datasets. However, the model accuracy in simulating soil water content is affected by the accuracy of the soil hydraulic parameters used in the model, which are used in the governing equations. However, soil databases are known to have a high uncertainty across scales. Also, for agricultural sites, the in-situ measurements of soil moisture are currently limited to discrete measurements at specific locations, and such point-based measurements do not represent the spatial distribution at a larger scale accurately, as soil moisture is highly variable both spatially and temporally. The present study utilizes effective soil hydraulic parameters obtained using a 1-km downscaled microwave remote sensing soil moisture product based on the NASA Advanced Microwave Scanning Radiometer (AMSR-E) using the genetic algorithm inverse method within the Catchment Land Surface Model (CLSM). Secondly, to provide realistic irrigation estimates for agricultural sites, an irrigation scheme within the land surface model is triggered when the root-zone soil moisture deficit reaches the threshold, 50% with respect to the maximum available water capacity obtained from the effective soil hydraulic parameters. An additional important criterion utilized is the estimation of crop water consumption based on dynamic root growth and uptake in root zone layer. Model performance is evaluated using MODIS land surface temperature (LST) product. The soil moisture estimates for the root zone are also validated with the in situ field data, for three sites (2- irrigated and 1- rainfed) located at the University of Nebraska Agricultural Research and Development Center near Mead, NE and monitored

  8. 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.

  9. 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

  10. 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).

  11. Microgrid Modeling and Simulation Study

    Science.gov (United States)

    2016-09-01

    lightning , and other scenarios need to be simulated and hardware tested to characterize system robustness. The reviewed M&S tools were divided into the...5 capability categories for tactical microgrids: Demand Management, Power Distribution, Source Management, Communications, and Smart Controls. In...requires a short-term investment to produce results. • Component Metadata is the use of digital information from equipment for microgrid Smart

  12. Simulations and analysis of asteroid-generated tsunamis using the shallow water equations

    Science.gov (United States)

    Berger, M. J.; LeVeque, R. J.; Weiss, R.

    2016-12-01

    We discuss tsunami propagation for asteroid-generated air bursts and water impacts. We present simulations for a range of conditions using the GeoClaw simulation software. Examples include meteors that span 5 to 250 MT of kinetic energy, and use bathymetry from the U.S. coastline. We also study radially symmetric one-dimensional equations to better explore the nature and decay rate of waves generated by air burst pressure disturbances traveling at the speed of sound in air, which is much greater than the gravity wave speed of the tsunami generated. One-dimensional simulations along a transect of bathymetry are also used to explore the resolution needed for the full two-dimensional simulations, which are much more expensive even with the use of adaptive mesh refinement due to the short wave lengths of these tsunamis. For this same reason, shallow water equations may be inadequate and we also discuss dispersive effects.

  13. 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.

  14. 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

    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...... 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...... are obtained from the literature. The silica surface is modeled by a large 32 ⨯ 32 ⨯ 2 nm amorphous SiO2 structure consisting of 180000 atoms. The water consists of 18000 water molecules surrounded by N2 and O2 air molecules corresponding to air pressures of 0 bar (vacuum), 50 bar, 100 bar and 200 bar. We...

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

    NARCIS (Netherlands)

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

    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

  16. 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

  17. 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

    Wetting is essential and ubiquitous in a variety of natural and technological processes. Silicon dioxides-water systems are abundant in nature and play fundamental roles in a vast variety of novel science and engineering activities such as silicon based devices, nanoscale lab on a chip systems...... 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...... 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...

  18. 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

    Wetting is essential and ubiquitous in a variety of natural and technological processes.1,2,3 Silicon dioxides-water systems are abundant in nature and play fundamental roles in a vast variety of novel science and engineering activities such as silicon based devices, nanoscale lab on a chip systems...... 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...

  19. Theoretical study on a water muffler

    Science.gov (United States)

    Du, T.; Chen, Y. W.; Miao, T. C.; Wu, D. Z.

    2016-05-01

    Theoretical computation on a previously studied water muffler is carried out in this article. Structure of the water muffler is composed of two main parts, namely, the Kevlar- reinforced rubber tube and the inner-noise-reduction structure. Rubber wall of the rubber tube is assumed to function as rigid wall lined with sound absorption material and is described by a complex radial wave number. Comparison among the results obtained from theoretical computation, FEM (finite element method) simulation and experiment of the rubber tube and that of the water muffler has been made. The theoretical results show a good accordance in general tendency with the FEM simulated and the measured results. After that, parametric study on the diameter of the inner structure and that of the rubber tube is conducted. Results show that the diameter of the left inner structure has the most significant effect on the SPL of the water muffler due to its location and its effect on the diameter ratio D2/D1.

  20. Distribution Analysis of Multi GNSS Slant Delays and Simulated Water Vapor Tomography in Yangtze River Delta

    Directory of Open Access Journals (Sweden)

    WANG Wei

    2016-02-01

    Full Text Available Currently, the GNSS network of Yangtze River delta has being applied to monitor the water vapor above this region and research water vapor tomography. Studies have shown that the dictances between stations are large and inhomogeneous, that will make it difficult to get the high tomography precision. Therefore, a simulation test of multi GNSS observations on tomography is introduced. The multi GNSS observations are more homogeneous in spatial distribution than a single positioning system, which can reduce the space rate of the grid, especially increase the number of the grid with information at middle and high layers. The multi GNSS observation can provide more and better water vapor information which can patch up deficiency of a single positioning system. A simulated water vapor tomography is carried out, and the result shows that the multi GNSS observations could improve the accuracy of tomography, especially above the 5 km height layer of the atmosphere.

  1. An Integrated Simulation Model for Dynamically Exploring the Optimal Solution to Mitigating Water Scarcity and Pollution

    Directory of Open Access Journals (Sweden)

    Wei Yang

    2015-02-01

    Full Text Available An integrated optimization simulation model has been developed based on an input-output approach to mitigate water pollution and water scarcity through embedding environmental economic policies and applicable technologies into a complex environ-economic system to obtain an optimal set of policies and technologies that promotes the maximization of the regional economy under the constraints of water pollutant discharge and water availability. An empirical study is undertaken with the Source Region of Liao River as the target area to verify the performance of the model. The relationships between the water environment and socio-economic systems are presented by clarifying the trends in economic development, water pollutant discharge and water supply and demand during a time horizon from 2011 to 2020. The endogenously-formed optimal set of policies and industrial restructuring simultaneously facilitate the reduction of water pollutant discharge and water consumption and increase the water supply. The extent of the mitigation of water pollution and water scarcity via applied policies and technologies promoted by the subsidies provided by the government are specified, and the mechanism of the policy application and subsidization distribution is explained. This model has applicability for other regions in terms of giving an optimal solution via comprehensive assessment of all of the proposed sustainability-related policies with sufficient data accessibility to achieve regional sustainable development.

  2. Osmosis : a molecular dynamics computer simulation study

    Science.gov (United States)

    Lion, Thomas

    Osmosis is a phenomenon of critical importance in a variety of processes ranging from the transport of ions across cell membranes and the regulation of blood salt levels by the kidneys to the desalination of water and the production of clean energy using potential osmotic power plants. However, despite its importance and over one hundred years of study, there is an ongoing confusion concerning the nature of the microscopic dynamics of the solvent particles in their transfer across the membrane. In this thesis the microscopic dynamical processes underlying osmotic pressure and concentration gradients are investigated using molecular dynamics (MD) simulations. I first present a new derivation for the local pressure that can be used for determining osmotic pressure gradients. Using this result, the steady-state osmotic pressure is studied in a minimal model for an osmotic system and the steady-state density gradients are explained using a simple mechanistic hopping model for the solvent particles. The simulation setup is then modified, allowing us to explore the timescales involved in the relaxation dynamics of the system in the period preceding the steady state. Further consideration is also given to the relative roles of diffusive and non-diffusive solvent transport in this period. Finally, in a novel modification to the classic osmosis experiment, the solute particles are driven out-of-equilibrium by the input of energy. The effect of this modification on the osmotic pressure and the osmotic ow is studied and we find that active solute particles can cause reverse osmosis to occur. The possibility of defining a new "osmotic effective temperature" is also considered and compared to the results of diffusive and kinetic temperatures..

  3. 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.

  4. 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.

  5. Evaluation of simulated cross-formational travel times using water age measurements in layered aquifer systems

    Science.gov (United States)

    Papafotiou, Alexandros; Ewing, John; Deeds, Neil; Kreitler, Charlie

    2013-04-01

    The recent hydrologic droughts in the southwestern USA have brought forward the necessity for sustainable management of groundwater that was recharged several thousands of years ago, also known as fossil water, as this resource is not directly rechargeable even through heavy rain events. Groundwater age studies can enable water authorities to map the origins of groundwater, quantify water ages in aquifers and plan sustainable water resource policies on local and regional scales. In this study, numerical groundwater availability models (GAMs) are combined with water age measurements to perform a water age analysis of the Wilcox, Carrizo, Queen City, Sparta, Jackson and Yegua aquifers that span central Texas dipping toward the coast of the Gulf of Mexico. The 3D GAMs have initially been calibrated using well data. The water age analysis is carried out using 2D simulations to characterize down dip flow, cross-formational flow in the aquifers and the impact on associated water ages in representative transects extracted from the 3D models, including a discussion on bridging the gap between the 3D hydrogeological system and its simplified 2D representations. A systematic quantification of water age sensitivity to formation hydraulic conductivities and recharge at the aquifer outcrops is performed, whereby travel times in the simulated aquifers are compared to water age measurements obtained from C-14 and Tritium age dating techniques. The analysis therefore delivers the spectrum of water age isolines under consideration of model parameter uncertainty, evaluating the predictive ability of cross-formational water age studies when using 2D transect models.

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

    OpenAIRE

    Burguete, J.; García-Navarro, P.; Aliod, R.

    2002-01-01

    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.

  7. 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.

  8. 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

  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

    2012-12-07

    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.

  10. 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.

  11. Molecular dynamics simulation of water in and around carbon nanotubes: A coarse-grained description

    Energy Technology Data Exchange (ETDEWEB)

    Pantawane, Sanwardhini [Department of Physics, UM-DAE Centre for Excellence in Basic Sciences, University of Mumbai, Kalina Campus, Mumbai 400098 (India); Choudhury, Niharendu, E-mail: nihcho@barc.gov.in [Theoretical Chemistry Section, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

    2016-05-23

    In the present study, we intend to investigate behaviour of water in and around hydrophobic open ended carbon nanotubes (CNTs) using a coarse-grained, core-softened model potential for water. The model potential considered here for water has recently been shown to successfully reproduce dynamic, thermodynamic and structural anomalies of water. The epitome of the study is to understand the incarceration of this coarse-grained water in a single-file carbon nanotube. In order to examine the effect of fluid-water van der Waals interaction on the structure of fluid in and around the nanotube, we have simulated three different CNT-water systems with varying degree of solute-water dispersion interaction. The analyses of the radial one-particle density profiles reveal varying degree of permeation and wetting of the CNT interior depending on the degree of fluid-solute attractive van der Waals interaction. A peak in the radial density profile slightly off the nanotube axis signifies a zigzag chain of water molecule around the CNT axis. The average numbers of water molecules inside the CNT have been shown to increase with the increase in fluid-water attractive dispersion interaction.

  12. Earthquake damage scenario simulation of a water supply system in Taipei

    Science.gov (United States)

    Lin, Ji-Hao; Chen, Walter W.

    2008-10-01

    Taiwan is located in the Circum-Pacific Belt and at the junction of the Philippine Sea Plate and the Eurasian Plate. The island is squeezed over a long period of time, so the frequency of the occurrence of earthquakes is very high. Changes of terrain due to seismic forces such as fault ruptures and surface uplifts could cause extensive damage to water pipeline networks. The 921 Ji-Ji earthquake was one of the most serious disasters in recent years in Taiwan, and it indeed resulted in the most severe damage of water supply systems. The urban water supply network is very important for municipal water management in Taiwan. If the water supply systems break down, hospitals and fire stations will not have enough water to carry out the rescue work, and the results may worsen the disasters. This study took the water supply system of the West District in Taipei City as an example. First, the metro-Taipei area was split into three hundred and twenty-seven 1 km by 1 km cells. Second, the location of a simulated earthquake was determined. Third, the Peak Ground Acceleration (PGA) value of each cell was calculated by an empirical formula. Fourth, the Repair Rate (RR) of each cell was calculated based on its PGA value. Fifth, using the GIRAFFE software developed by Cornell University, the Monte Carlo simulation method was used to simulate the possible damage to the water supply system. And finally, the EPANET program developed by the US Environmental Protection Agency was applied to compute the distribution of flow volumes and water pressures of the damaged water supply system. Results of the pipeline network under different scenarios of earthquake magnitudes are shown in this study, and they provide an evaluation basis to decision makers to improve the pipeline infrastructures for fire protection after major earthquakes.

  13. Compressive characteristics of single walled carbon nanotube with water interactions investigated by using molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Wong, C.H., E-mail: chwong@ntu.edu.sg; Vijayaraghavan, V.

    2014-01-24

    The elastic properties of single walled carbon nanotube (SWCNT) with surrounding water interactions are studied using molecular dynamics simulation technique. The compressive loading characteristic of carbon nanotubes (CNTs) in a fluidic medium such as water is critical for its role in determining the lifetime and stability of CNT based nano-fluidic devices. In this paper, we conducted a comprehensive analysis on the effect of geometry, chirality and density of encapsulated water on the elastic properties of SWCNT. Our studies show that defect density and distribution can strongly impact the compressive resistance of SWCNTs in water. Further studies were conducted on capped SWCNTs with varying densities of encapsulated water, which is necessary to understand the strength of CNT as a potential drug carrier. The results obtained from this paper will help determining the potential applications of CNTs in the field of nano-electromechanical systems (NEMS) such as nano-biological and nano-fluidic devices.

  14. ANUGA SOFTWARE FOR NUMERICAL SIMULATIONS OF SHALLOW WATER FLOWS

    Directory of Open Access Journals (Sweden)

    Sudi Mungkasi

    2012-07-01

    Full Text Available Shallow water flows are governed by the shallow water wave equations, also known as the Saint-Venant system. This paper presents a finite volume method used to solve the two-dimensional shallow water wave equations and how the finite volume method is implemented in ANUGA software. This finite volume method is the numerical method underlying the software. ANUGA is open source software developed by Australian National University (ANU and Geoscience Australia (GA. This software uses the finite volume method with triangular domain discretisation for the computation. Four test cases are considered in order to evaluate the performance of the software. Overall, ANUGA is a robust software to simulate two-dimensional shallow water flows. Arus air dangkal diatur dalam persamaan gelombang air dangkal, dikenal sebagai sistem Saint-Venant. Penelitian ini menyajikan metode finite volumeyang digunakan untuk menyelesaikan persamaan gelombang air dangkal dua dimensi dan bagaimana metode finite volumediimplementasikan dalam perangkat lunak ANUGA. Metode finite volumeadalah metode numerik yang mendasari perangkat lunakANUGA. ANUGA sendiri adalah perangkat lunak open source yang dikembangkan oleh Australian National University(ANU dan Geoscience Australia (GA. Perangkat lunak ini menggunakan metode finite volumedengan diskritisasi domain segitiga dalam proseskomputasi. Empat uji kasus digunakan untuk mengevaluasi kinerja perangkat lunak. Secara keseluruhan, ANUGA adalah perangkat lunak yang robust untuk mensimulasikan dua dimensi aliran arus air dangkal.

  15. Optimizing Noble Gas-Water Interactions via Monte Carlo Simulations.

    Science.gov (United States)

    Warr, Oliver; Ballentine, Chris J; Mu, Junju; Masters, Andrew

    2015-11-12

    In this work we present optimized noble gas-water Lennard-Jones 6-12 pair potentials for each noble gas. Given the significantly different atomic nature of water and the noble gases, the standard Lorentz-Berthelot mixing rules produce inaccurate unlike molecular interactions between these two species. Consequently, we find simulated Henry's coefficients deviate significantly from their experimental counterparts for the investigated thermodynamic range (293-353 K at 1 and 10 atm), due to a poor unlike potential well term (εij). Where εij is too high or low, so too is the strength of the resultant noble gas-water interaction. This observed inadequacy in using the Lorentz-Berthelot mixing rules is countered in this work by scaling εij for helium, neon, argon, and krypton by factors of 0.91, 0.8, 1.1, and 1.05, respectively, to reach a much improved agreement with experimental Henry's coefficients. Due to the highly sensitive nature of the xenon εij term, coupled with the reasonable agreement of the initial values, no scaling factor is applied for this noble gas. These resulting optimized pair potentials also accurately predict partitioning within a CO2-H2O binary phase system as well as diffusion coefficients in ambient water. This further supports the quality of these interaction potentials. Consequently, they can now form a well-grounded basis for the future molecular modeling of multiphase geological systems.

  16. Using the pressure-reduction energy of drinking water supply systems - Appendix 1: Simulation; Energienutzung in geschlossenen Wasserversorgungssystemen. Anhang 1: Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Schindelholz, B.; Schafroth, T.

    2004-07-01

    In this appendix to a preliminary study for the Swiss Federal Office of Energy (SFOE), the simulation of a system for power generation in drinking-water supply systems is dealt with. The aims of simulations made with Mathlab/Simulink are examined and the results obtained are discussed. Various operational situations such as a blocked turbine, mains failure or erroneous settings are looked at. The simulation models used are described and the results obtained are presented in tabular and graphical form.

  17. 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.

  18. 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...

  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. 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

  1. Hydrological and water quality processes simulation by the integrated MOHID model

    Science.gov (United States)

    Epelde, Ane; Antiguedad, Iñaki; Brito, David; Eduardo, Jauch; Neves, Ramiro; Sauvage, Sabine; Sánchez-Pérez, José Miguel

    2016-04-01

    Different modelling approaches have been used in recent decades to study the water quality degradation caused by non-point source pollution. In this study, the MOHID fully distributed and physics-based model has been employed to simulate hydrological processes and nitrogen dynamics in a nitrate vulnerable zone: the Alegria River watershed (Basque Country, Northern Spain). The results of this study indicate that the MOHID code is suitable for hydrological processes simulation at the watershed scale, as the model shows satisfactory performance at simulating the discharge (with NSE: 0.74 and 0.76 during calibration and validation periods, respectively). The agronomical component of the code, allowed the simulation of agricultural practices, which lead to adequate crop yield simulation in the model. Furthermore, the nitrogen exportation also shows satisfactory performance (with NSE: 0.64 and 0.69 during calibration and validation periods, respectively). While the lack of field measurements do not allow to evaluate the nutrient cycling processes in depth, it has been observed that the MOHID model simulates the annual denitrification according to general ranges established for agricultural watersheds (in this study, 9 kg N ha-1 year-1). In addition, the model has simulated coherently the spatial distribution of the denitrification process, which is directly linked to the simulated hydrological conditions. Thus, the model has localized the highest rates nearby the discharge zone of the aquifer and also where the aquifer thickness is low. These results evidence the strength of this model to simulate watershed scale hydrological processes as well as the crop production and the agricultural activity derived water quality degradation (considering both nutrient exportation and nutrient cycling processes).

  2. Simulating water, solute, and heat transport in the subsurface with the VS2DI software package

    Science.gov (United States)

    Healy, R.W.

    2008-01-01

    The software package VS2DI was developed by the U.S. Geological Survey for simulating water, solute, and heat transport in variably saturated porous media. The package consists of a graphical preprocessor to facilitate construction of a simulation, a postprocessor for visualizing simulation results, and two numerical models that solve for flow and solute transport (VS2DT) and flow and heat transport (VS2DH). The finite-difference method is used to solve the Richards equation for flow and the advection-dispersion equation for solute or heat transport. This study presents a brief description of the VS2DI package, an overview of the various types of problems that have been addressed with the package, and an analysis of the advantages and limitations of the package. A review of other models and modeling approaches for studying water, solute, and heat transport also is provided. ?? Soil Science Society of America. All rights reserved.

  3. Geohydrological characterization, water-chemistry, and ground-water flow simulation model of the Sonoma Valley area, Sonoma County, California

    Science.gov (United States)

    Farrar, Christopher D.; Metzger, Loren F.; Nishikawa, Tracy; Koczot, Kathryn M.; Reichard, Eric G.; Langenheim, V.E.

    2006-01-01

    changes by region. In recent years, pumping depressions have developed southeast of Sonoma and southwest of El Verano. Water-chemistry data for samples collected from 75 wells during 2002-04 indicate that the ground-water quality in the study area generally is acceptable for potable use. The water from some wells, however, contains one or more constituents in excess of the recommended standards for drinking water. The chemical composition of water from creeks, springs, and wells sampled for major ions plot within three groups on a trilinear diagram: mixed-bicarbonate, sodium-mixed anion, and sodium-bicarbonate. An area of saline ground water in the southern part of the Sonoma Valley appears to have shifted since the late 1940s and early 1950s, expanding in one area, but receding in another. Sparse temperature data from wells southwest of the known occurrence of thermal water suggest that thermal water may be present beneath a larger part of the valley than previously thought. Thermal water contains higher concentrations of dissolved minerals than nonthermal waters because mineral solubilities generally increase with temperature. Geohydrologic Characterization, Water-Chemistry, and Ground-Water Flow Simulation Model of the Sonoma Valley Area, Sonoma County, California Oxygen-18 (d18 O) and deuterium (dD) values for water from most wells plot along the global meteoric water line, indicating that recharge primarily is derived from the direct infiltration of precipitation or the infiltration of seepage from creeks. Samples from shallow- and intermediate-depth wells located near Sonoma Creek and (or) in the vicinity of Shellville plot to the right of the global meteoric water line, indicating that these waters are partly evaporated. The d18 O and dD composition of water from sampled wells indicates that water from wells deeper than 200 feet is isotopically lighter (more negative) than water from wells less than 200 feet deep, possibly indicating that older ground wate

  4. 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

  5. Simulation and experiment research on the proportional pressure control of water-assisted injection molding

    Science.gov (United States)

    Zhou, Hua; Chen, Yinglong; Zhang, Zengmeng; Yang, Huayong

    2012-05-01

    Water-assisted injection molding (WAIM), a newly developed fluid-assisted injection molding technology has drawn more and more attentions for the energy saving, short cooling circle time and high quality of products. Existing research for the process of WAIM has shown that the pressure control of the injecting water is mostly important for the WAIM. However, the proportional pressure control for the WAIM system is quite complex due to the existence of nonlinearities in the water hydraulic system. In order to achieve better pressure control performance of the injecting water to meet the requirements of the WAIM, the proportional pressure control of the WAIM system is investigated both numerically and experimentally. A newly designed water hydraulic system for WAIM is first modeled in AMEsim environment, the load characteristics and the nonlinearities of water hydraulic system are both considered, then the main factors affecting the injecting pressure and load flow rate are extensively studied. Meanwhile, an open-loop model-based compensation control strategy is employed to regulate the water injection pressure and a feedback proportional integrator controller is further adopted to achieve better control performance. In order to verify the AMEsim simulation results WAIM experiment for particular Acrylonitrile Butadiene Styrene (ABS) parts is implemented and the measured experimental data including injecting pressure and flow rate results are compared with the simulation. The good coincidence between experiment and simulation shows that the AMEsim model is accurate, and the tracking performance of the load pressure indicates that the proposed control strategy is effective for the proportional pressure control of the nonlinear WAIM system. The proposed proportional pressure control strategy and the conclusions drawn from simulation and experiment contribute to the application of water hydraulic proportional control and WAIM technology.

  6. Water-anion hydrogen bonding dynamics: Ultrafast IR experiments and simulations

    Science.gov (United States)

    Yamada, Steven A.; Thompson, Ward H.; Fayer, Michael D.

    2017-06-01

    Many of water's remarkable properties arise from its tendency to form an intricate and robust hydrogen bond network. Understanding the dynamics that govern this network is fundamental to elucidating the behavior of pure water and water in biological and physical systems. In ultrafast nonlinear infrared experiments, the accessible time scales are limited by water's rapid vibrational relaxation (1.8 ps for dilute HOD in H2O), precluding interrogation of slow hydrogen bond evolution in non-bulk systems. Here, hydrogen bonding dynamics in bulk D2O were studied from the perspective of the much longer lived (36.2 ps) CN stretch mode of selenocyanate (SeCN-) using polarization selective pump-probe (PSPP) experiments, two-dimensional infrared (2D IR) vibrational echo spectroscopy, and molecular dynamics simulations. The simulations make use of the empirical frequency mapping approach, applied to SeCN- for the first time. The PSPP experiments and simulations show that the orientational correlation function decays via fast (2.0 ps) restricted angular diffusion (wobbling-in-a-cone) and complete orientational diffusive randomization (4.5 ps). Spectral diffusion, quantified in terms of the frequency-frequency correlation function, occurs on two time scales. The initial 0.6 ps time scale is attributed to small length and angle fluctuations of the hydrogen bonds between water and SeCN-. The second 1.4 ps measured time scale, identical to that for HOD in bulk D2O, reports on the collective reorganization of the water hydrogen bond network around the anion. The experiments and simulations provide details of the anion-water hydrogen bonding and demonstrate that SeCN- is a reliable vibrational probe of the ultrafast spectroscopy of water.

  7. Simulating soil-water movement through loess-veneered landscapes using nonconsilient saturated hydraulic conductivity measurements

    Science.gov (United States)

    Williamson, Tanja N.; Lee, Brad D.; Schoeneberger, Philip J.; McCauley, W. M.; Indorante, Samuel J.; Owens, Phillip R.

    2014-01-01

    Soil Survey Geographic Database (SSURGO) data are available for the entire United States, so are incorporated in many regional and national models of hydrology and environmental management. However, SSURGO does not provide an understanding of spatial variability and only includes saturated hydraulic conductivity (Ksat) values estimated from particle size analysis (PSA). This study showed model sensitivity to the substitution of SSURGO data with locally described soil properties or alternate methods of measuring Ksat. Incorporation of these different soil data sets significantly changed the results of hydrologic modeling as a consequence of the amount of space available to store soil water and how this soil water is moved downslope. Locally described soil profiles indicated a difference in Ksat when measured in the field vs. being estimated from PSA. This, in turn, caused a difference in which soil layers were incorporated in the hydrologic simulations using TOPMODEL, ultimately affecting how soil water storage was simulated. Simulations of free-flowing soil water, the amount of water traveling through pores too large to retain water against gravity, were compared with field observations of water in wells at five slope positions along a catena. Comparison of the simulated data with the observed data showed that the ability to model the range of conditions observed in the field varied as a function of three soil data sets (SSURGO and local field descriptions using PSA-derived Ksat or field-measured Ksat) and that comparison of absolute values of soil water storage are not valid if different characterizations of soil properties are used.

  8. High-spatial resolution numerical simulations of in-water radiative transfer processes

    Science.gov (United States)

    D'Alimonte, D.; Kajiyama, T.; Zibordi, G.

    2012-04-01

    Monte Carlo (MC) simulations of radiative processes allow for addressing optical radiometric problems strictly linked to complex geometries. Within such a context, MC simulations have been used to investigate uncertainties affecting in-water radiometric measurements performed with free-fall optical profilers commonly utilized for the vicarious calibration of space sensors or the validation of satellite ocean color primary products (e.g, the normalized water leaving radiance). Specifically, a MC code (henceforth called MOX) has been developed to simulate in-water and above-water radiometric fields with high spatial-resolution (up to 1 cm) over a 2-dimensional (2D) domain of tens of meters. This has been achieved by exploiting high performance computing (HPC) solutions (e.g., parallel programs and job-scheduling based on novel performance prediction and optimization schemes) to trace up to 10^12 photons. A dedicated study, focused on the simulation of in-water radiometric fields, has led to the generation of virtual optical profiles accounting for perturbations due to light focusing effect by sea-surface gravity and capillary waves at a spatial resolution comparable to that of actual measurements. Different from field experiments, which are often constrained by environmental factors like illumination conditions and sea-water optical properties, numerical simulations permits analyzing realistic cases whereas allowing for a free input parameter selection. MOX simulations have shown that uncertainties induced by focusing effects upon radiometric data products can be reduced by slowing the deployment speed of free-fall optical profilers, rather than increasing the sampling frequency (i.e., while keeping the same number of samples per depth unit). This result has confirmed the appropriateness of profiling techniques (i.e., multicasting) so far solely supported by a limited number of field measurements and has additionally suggested the possibility of investigating further

  9. United polarizable multipole water model for molecular mechanics simulation

    Science.gov (United States)

    Qi, Rui; Wang, Lee-Ping; Wang, Qiantao; Pande, Vijay S.; Ren, Pengyu

    2015-07-01

    We report the development of a united AMOEBA (uAMOEBA) polarizable water model, which is computationally 3-5 times more efficient than the three-site AMOEBA03 model in molecular dynamics simulations while providing comparable accuracy for gas-phase and liquid properties. In this coarse-grained polarizable water model, both electrostatic (permanent and induced) and van der Waals representations have been reduced to a single site located at the oxygen atom. The permanent charge distribution is described via the molecular dipole and quadrupole moments and the many-body polarization via an isotropic molecular polarizability, all located at the oxygen center. Similarly, a single van der Waals interaction site is used for each water molecule. Hydrogen atoms are retained only for the purpose of defining local frames for the molecular multipole moments and intramolecular vibrational modes. The parameters have been derived based on a combination of ab initio quantum mechanical and experimental data set containing gas-phase cluster structures and energies, and liquid thermodynamic properties. For validation, additional properties including dimer interaction energy, liquid structures, self-diffusion coefficient, and shear viscosity have been evaluated. The results demonstrate good transferability from the gas to the liquid phase over a wide range of temperatures, and from nonpolar to polar environments, due to the presence of molecular polarizability. The water coordination, hydrogen-bonding structure, and dynamic properties given by uAMOEBA are similar to those derived from the all-atom AMOEBA03 model and experiments. Thus, the current model is an accurate and efficient alternative for modeling water.

  10. Simulations & Case Studies. [SITE 2002 Section].

    Science.gov (United States)

    Seymour, Cathy R., Ed.

    This document contains the following papers on simulations and case studies from the SITE (Society for Information Technology & Teacher Education) 2002 conference: "3-D Virtual Classroom Technology" (Kimberly Arseneau Miller, Angela Glod); "Simulated Lesson Design Studios" (Willis Copeland); "Lights, Camera, Integration: Presentation Programs and…

  11. 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.

  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. GEWEX Water and Energy Budget Study

    Science.gov (United States)

    Roads, J.; Bainto, E.; Masuda, K.; Rodell, Matthew; Rossow, W. B.

    2008-01-01

    Closing the global water and energy budgets has been an elusive Global Energy and Water-cycle Experiment (GEWEX) goal. It has been difficult to gather many of the needed global water and energy variables and processes, although, because of GEWEX, we now have globally gridded observational estimates for precipitation and radiation and many other relevant variables such as clouds and aerosols. Still, constrained models are required to fill in many of the process and variable gaps. At least there are now several atmospheric reanalyses ranging from the early National Centers for Environmental Prediction/National Center for Atmospheric Research (NCEP/NCAR) and NCEP/Department of Energy (DOE) reanalyses to the more recent ERA40 and JRA-25 reanalyses. Atmospheric constraints include requirements that the models state variables remain close to in situ observations or observed satellite radiances. This is usually done by making short-term forecasts from an analyzed initial state; these short-term forecasts provide the next guess, which is corrected by comparison to available observations. While this analysis procedure is likely to result in useful global descriptions of atmospheric temperature, wind and humidity, there is no guarantee that relevant hydroclimate processes like precipitation, which we can observe and evaluate, and evaporation over land, which we cannot, have similar verisimilitude. Alternatively, the Global Land Data Assimilation System (GLDAS), drives uncoupled land surface models with precipitation, surface solar radiation, and surface meteorology (from bias-corrected reanalyses during the study period) to simulate terrestrial states and surface fluxes. Further constraints are made when a tuned water balance model is used to characterize the global runoff observational estimates. We use this disparate mix of observational estimates, reanalyses, GLDAS and calibrated water balance simulations to try to characterize and close global and terrestrial atmospheric

  14. Cosmological Simulations with Molecular Astrochemistry: Water in the Early Universe

    Science.gov (United States)

    Wiggins, Brandon K.; Smidt, Joseph

    2018-01-01

    Water is required for the rise of life as we know it throughout the universe, but its origin and the circumstances of its first appearance remain a mystery. The abundance of deuterated water in solar system bodies cannot be explained if all the water in the solar system were created in the protoplanetary disk (Cleeves et al. 2014), suggesting that as much of half of Earth’s water predates the Sun. Water has been observed as early as one sixth the current universe’s age in MG J0414+0534 (Imprellizzeri et al. 2008). It was recently shown that water could, in principle, appear in hot halos barely enriched with heavy elements such as oxygen and carbon (Bialy et al. 2015). So far, no self-consistent calculation of cosmology physics carried out in line with a large chemical reaction network has been carried out to study the first sites of water formation in the universe. We present initial results the first such series of cosmological calculations with a 26 species low metallicity molecular chemical reaction network with Enzo (Bryan et al. 2014) to understand the role of hydrodynamics and radiative feedback on molecule formation in the early universe and to shed light on the cosmological history of this life-giving substance.

  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. Large eddy simulation of water flow over series of dunes

    Directory of Open Access Journals (Sweden)

    Jun LU

    2011-12-01

    Full Text Available Large eddy simulation was used to investigate the spatial development of open channel flow over a series of dunes. The three-dimensional filtered Navier-Stokes (N-S equations were numerically solved with the fractional-step method in sigma coordinates. The subgrid-scale turbulent stress was modeled with a dynamic coherent eddy viscosity model proposed by the authors. The computed velocity profiles are in good agreement with the available experimental results. The mean velocity and the turbulent Reynolds stress affected by a series of dune-shaped structures were compared and analyzed. The variation of turbulence statistics along the flow direction affected by the wavy bottom roughness has been studied. The turbulent boundary layer in a complex geographic environment can be simulated well with the proposed large eddy simulation (LES model.

  18. CFD simulation of horizontal oil-water flow with matched density and medium viscosity ratio in different flow regimes

    OpenAIRE

    Shi, Jing; Gourma, Mustapha; Yeung, Hoi

    2017-01-01

    Simulation of horizontal oil-water flow with matched density and medium viscosity ratio (μo/μw=18.8) in several different flow regimes (core annular flow, oil plugs/bubbles in water and dispersed flow) was performed with the CFD package FLUENT in this study. The volume of fluid (VOF) multiphase flow modeling method in conjunction with the SST k-ω scheme was applied to simulate the oil-water flow. The influences of the turbulence schemes and wall contact angles on the simulation results were i...

  19. [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.

  20. Irrigation impacts on the water cycle and regional climate simulated by the ACME Model

    Science.gov (United States)

    Leng, G.; Leung, L. R.; Huang, M.

    2016-12-01

    Irrigation constitutes 70% and 90% of total human freshwater withdraws and consumptions, respectively. In this study, we use the newly developed Accelerated Climate Modeling for Energy (ACME) Earth system model to address the overarching science question as to how irrigation water use interact with terrestrial water resources and feedback to the climate. The location, timing, amount, and sources of irrigation water and irrigate methods are all key processes in modeling irrigation water use and represented in the ACME land model (ALM). Specifically, irrigation starts when soil water content induces soil moisture stress for crops in the prescribed irrigated areas. The soil water deficit is withdrawn from surface water and groundwater. The parameters determining the irrigation amount and surface water/groundwater pumping rate were calibrated to match observations. Irrigation techniques such as sprinkler, flood and drip irrigation as well as irrigation water use efficiency (i.e., the losses during water transport and irrigation application) were also incorporated. The modeling framework was validated against global observations. Generally, including irrigation water use improves the correlation of simulated water components with observations. Several numerical experiments were conducted to examine the irrigation effects on global land surface water and energy flux and its feedback to climate by the coupled land-atmosphere components of ACME. Initial results show that irrigation has greatly interrupted the regional water balance, with alteration of seasonal variability of TWS, increase of evapotranspiration and decrease of streamflow. This alteration is particularly large over heavily irrigated basins such as the Columbia, the Mississippi, the Indus and the Ganges. The shift of water vapor balance and changes in regional climate induced by irrigation will also be briefly discussed.

  1. Composite Simulation of Dynamic Water Content and Water Use Efficiency of Winter Wheat

    OpenAIRE

    Wang, Liming

    2014-01-01

    In order to forecast the effect of climate warming on agriculture, ENWATBAL model was used to simulate evapotranspiration of winter wheat due to the change of air temperature and precipitation in the coming decades. The effect of climate warming on winter wheat yield in the future decades was speculated by the past yield and climate data in last decades, and the possible water use efficiency in the future decades was calculated. The results indicate that climate warming would increase winter ...

  2. A coupled nearfield and farfield large-eddy simulation for oil transport from deep-water blowouts - a study of the effects of dispersant in the Deepwater Horizon accident

    Science.gov (United States)

    Chamecki, M.; Chen, B.; Yang, D.; Meneveau, C. V.

    2016-12-01

    The Deepwater Horizon accident and the ensuing oil leak at 1.5 km depth in the Gulf of Mexico focused attention on the challenges associated with underwater blowouts in the deep ocean. The strategy adopted for use of chemical dispersants during the leak was, and it still is, one of the most controversial points in the response effort. This work investigates the effects of dispersant applications to oil transport using idealized high-resolution numerical simulations. Deep-water blowouts generate plumes of oil droplets and gas bubbles that rise through, and interact with, various layers of the ocean. The different scales and physical processes governing the dynamics of the oil plume at each layer require different numerical simulation strategies. We develop a high-fidelity turbulence-resolving numerical model using the large-eddy simulation technique which consists of two modules targeting two distinguished stages of the oil plume dispersion: "nearfiled" and "farfield". The "nearfield module" simulates the dynamics of the multiphase plume containing gas bubbles and oil droplets originating from the oil well and rising through the 1.5 km stratified water column. The formation of deep-water intrusions and the separation of oil and gas plumes due to weak crossflow is captured by LES. As the oil plume approaches the bottom of the ocean mixed layer, the "farfield module" takes over and simulates the near-surface oil transport using a new numerical approach called ENDLESS (extended nonperiodic domain LES for scalars) to accommodate the fairly large horizontal extent of the plume. ENDLESS is a multiscale plume modeling approach, which permits simulations of oil plumes including effects of submesoscale eddies, surface waves, Langmuir cells, and 3D small-scale turbulence with reasonable computing power. The two simulation modules are coupled, allowing the representation of the entire plume in a turbulence-resolving context. Simulations are performed to elucidate the effect of

  3. On the Simulation of Shallow Water Tides in the Vicinity of the Taiwan Banks

    Directory of Open Access Journals (Sweden)

    Ming-Da Chiou

    2010-01-01

    Full Text Available The Taiwan Banks (Formosa Shoals, a large NE-SW oriented bathymetric feature near the southern end (23°N, 118 - 119°E of the Taiwan Strait, is a region of extremely shallow water that exerts a profound effect on the propagation of tidal waves. As such waves propagate over the Taiwan Banks, they become distorted and asymmetric due to bottom friction and contribute to the generation of shallow water tides. The POM model was used in present study to simulate the tides in the Taiwan Strait region. Shallow water tidal dynamics in the area of Taiwan Banks are focused. The numerical model was validated against sea level observations from 34 tidal stations located on the coast of Mainland China and Taiwan. Trajectory records from two SVP drifters are used to be compared with the simulations using wavelet-based rotary spectral analysis.

  4. Mathematical simulation of water biological macrosystems dynamics accounting antropogenical influence

    Energy Technology Data Exchange (ETDEWEB)

    Janchauskas, R. (Institute of Mathematics and Informatics, Akademijos 4, Vilnius, Lithuania (SU)); Shvitra, D. (Centre of Ecosystem Analysis, Klaipeda, Lithuania (SU))

    1991-01-01

    Kursiu bay is subject to more powerful antropogenical influence in present time. There are many dangerous to biota toxicants, which may cause changes of the chemical structure of the water such as pH, gas regime and so on. We used the model experiments to evaluate the level of the danger of such toxicants and to define the limits of antropogenical influence. It is extremly important to define objective laws of the parameters dynamic to save one. The toxicants of organical nature are utilised not long after, so heavy metals remain harmful to a great extent longer. Our purpose is to define maximum relatively safe concentrations of some toxicants. We shall consider the most common toxicants - heavy metals Cd, Cr, Cu, Zn and chlorine as the main factors influencing Kursiu bay ecosystem. The biological macrosystem we investigated, consists of the populations, essential for the ecosystem of the bay. The main attention we shall devote to simulation of ichthyocenosis. (author).

  5. 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

  6. Adsorption of HMF from water/DMSO solutions onto hydrophobic zeolites: experiment and simulation.

    Science.gov (United States)

    Xiong, Ruichang; León, Marta; Nikolakis, Vladimiros; Sandler, Stanley I; Vlachos, Dionisios G

    2014-01-01

    The adsorption of 5-hydroxymethylfurfural (HMF), DMSO, and water from binary and ternary mixtures in hydrophobic silicalite-1 and dealuminated Y (DAY) zeolites at ambient conditions was studied by experiments and molecular modeling. HMF and DMSO adsorption isotherms were measured and compared to those calculated using a combination of grand canonical Monte Carlo and expanded ensemble (GCMC-EE) simulations. A method based on GCMC-EE simulations for dilute solutions combined with the Redlich-Kister (RK) expansion (GCMC-EE-RK) is introduced to calculate the isotherms over a wide range of concentrations. The simulations, using literature force fields, are in reasonable agreement with experimental data. In HMF/water binary mixtures, large-pore hydrophobic zeolites are much more effective for HMF adsorption but less selective because large pores allow water adsorption because of H2 O-HMF attraction. In ternary HMF/DMSO/water mixtures, HMF loading decreases with increasing DMSO fraction, rendering the separation of HMF from water/DMSO mixtures by adsorption difficult. The ratio of the energetic interaction in the zeolite to the solvation free energy is a key factor in controlling separation from liquid mixtures. Overall, our findings could have an impact on the separation and catalytic conversion of HMF and the rational design of nanoporous adsorbents for liquid-phase separations in biomass processing. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Hydrology and simulation of ground-water flow in Kamas Valley, Summit County, Utah

    Science.gov (United States)

    Brooks, L.E.; Stolp, B.J.; Spangler, L.E.

    2003-01-01

    Kamas Valley, Utah, is located about 50 miles east of Salt Lake City and is undergoing residential development. The increasing number of wells and septic systems raised concerns of water managers and prompted this hydrologic study. About 350,000 acre-feet per year of surface water flows through Kamas Valley in the Weber River, Beaver Creek, and Provo River, which originate in the Uinta Mountains east of the study area. The ground-water system in this area consists of water in unconsolidated deposits and consolidated rock; water budgets indicate very little interaction between consolidated rock and unconsolidated deposits. Most recharge to consolidated rock occurs at higher altitudes in the mountains and discharges to streams and springs upgradient of Kamas Valley. About 38,000 acre-feet per year of water flows through the unconsolidated deposits in Kamas Valley. Most recharge is from irrigation and seepage from major streams; most discharge is to Beaver Creek in the middle part of the valley. Long-term water-level fluctuations range from about 3 to 17 feet. Seasonal fluctuations exceed 50 feet. Transmissivity varies over four orders of magnitude in both the unconsolidated deposits and consolidated rock and is typically 1,000 to 10,000 feet squared per day in unconsolidated deposits and 100 feet squared per day in consolidated rock as determined from specific capacity. Water samples collected from wells, streams, and springs had nitrate plus nitrite concentrations (as N) substantially less than 10 mg/L. Total and fecal coliform bacteria were detected in some surface-water samples and probably originate from livestock. Septic systems do not appear to be degrading water quality. A numerical ground-water flow model developed to test the conceptual understanding of the ground-water system adequately simulates water levels and flow in the unconsolidated deposits. Analyses of model fit and sensitivity were used to refine the conceptual and numerical models.

  8. Hydration Simulations of a Carbon Nanotube, Immersed in Water, according to the 3-Attractor Water Model

    Directory of Open Access Journals (Sweden)

    Francis F. Muguet

    2005-04-01

    Full Text Available MC simulations of a set of zigzag ((9,0-(14,0 and armchair ((6,6-(10,10carbon nanotubes immersed in water have been carried out in an NpT-ensemble (512 watermolecules, p=1 bar, T=298 K. Intermolecular interactions were described by BMWpotential according to which, besides the well-known linear water dimer bifurcated andinverted water dimers are metastable. In all cases, it was found that there are large periodicfluctuations of water occupancy inside the nanotubes. Decrease in the size of the nanotubediameter leads to a significant destruction of the H-bond network, and to a bifucarted dimerpopulation increase. Inverted dimer concentration relationship with the nanotube diameter ismore complicated. Population maximum for inverted dimers occurs for diameters of 10-11 å. Water features different intermolecular structures not only inside carbon nanotubesbut also in the outer first hydration shells. The amount of bifurcated and inverted dimers issignificantly more important in the first hydration shell than in bulk water.

  9. 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.

  10. Biophysical and socioeconomic characterization of a water-stressed area and simulating agri-production estimates and land use planning under normal and extreme climatic events: a case study.

    Science.gov (United States)

    Singh, Manish; Kalra, N; Chakraborty, D; Kamble, K; Barman, D; Saha, S; Mittal, R B; Pandey, Suraj

    2008-07-01

    This study aims in linking the biophysical and socioeconomic data base layers with the technical coefficients or simulation models for agri-production estimates and land use planning under normal and extreme climatic events, and exploring the resource and inputs management options in village Shikohpur, Gurgaon district located in the northwest part of India. The socioeconomic profile of Shikohpur is highly skewed with mostly small and marginal farmers. Though the areas under wheat in Shikohpur are increasing, the productivity is declining or remaining stagnant over the years. Most of the area during kharif season (June-September) remains fallow. Pearl millet based cropping systems (pearl millet-mustard and pearl millet-wheat) are predominant. Soils are mostly loamy sand to sandy loam with average of 70-80% sand content. Organic C content in soil is less than 0.3%, due to high prevailing temperature with little rainfall and also intensive agriculture followed in this region. Though the annual average seasonal rainfall in Gurgaon did not have much variation over the years, occurrence of extreme climate events has increased in the last two decades. The crop intensity is low and the water table is declining. Water and nitrogen production functions were developed for the important crops of the region, for their subsequent use in scheduling of the inputs. InfoCrop, WTGROWS and technical coefficients were used for crop planning and resource management under climate change and its variability, extreme events, limited resource availability and crop intensification. These will help in disseminating necessary agro-advisories to the farmers so that they will be able to manipulate the inputs and agronomic management practices for sustained agricultural production under normal as well as extreme climatic conditions.

  11. 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...

  12. Unraveling the martian water cycle with high-resolution global climate simulations

    Science.gov (United States)

    Pottier, Alizée; Forget, François; Montmessin, Franck; Navarro, Thomas; Spiga, Aymeric; Millour, Ehouarn; Szantai, André; Madeleine, Jean-Baptiste

    2017-07-01

    Global climate modeling of the Mars water cycle is usually performed at relatively coarse resolution (200 - 300km), which may not be sufficient to properly represent the impact of waves, fronts, topography effects on the detailed structure of clouds and surface ice deposits. Here, we present new numerical simulations of the annual water cycle performed at a resolution of 1° × 1° (∼ 60 km in latitude). The model includes the radiative effects of clouds, whose influence on the thermal structure and atmospheric dynamics is significant, thus we also examine simulations with inactive clouds to distinguish the direct impact of resolution on circulation and winds from the indirect impact of resolution via water ice clouds. To first order, we find that the high resolution does not dramatically change the behavior of the system, and that simulations performed at ∼ 200 km resolution capture well the behavior of the simulated water cycle and Mars climate. Nevertheless, a detailed comparison between high and low resolution simulations, with reference to observations, reveal several significant changes that impact our understanding of the water cycle active today on Mars. The key northern cap edge dynamics are affected by an increase in baroclinic wave strength, with a complication of northern summer dynamics. South polar frost deposition is modified, with a westward longitudinal shift, since southern dynamics are also influenced. Baroclinic wave mode transitions are observed. New transient phenomena appear, like spiral and streak clouds, already documented in the observations. Atmospheric circulation cells in the polar region exhibit a large variability and are fine structured, with slope winds. Most modeled phenomena affected by high resolution give a picture of a more turbulent planet, inducing further variability. This is challenging for long-period climate studies.

  13. Numerical simulation of shock wave propagation in water droplet impact on a rough surface

    Science.gov (United States)

    Fujisawa, Kei

    2017-11-01

    In this work shock wave propagation in water droplet impact on a rough surface is numerically studied. The numerical simulation is carried out utilizing two phase full Eulerian approach based on high resolution finite volume method, which allows for shock wave propagation in multiphase flow. To study the shock wave propagation in water droplet impact on a rough surface, an immersed boundary method is used as wall boundary treatment. The maximum impact pressure is computed as a function of surface roughness, and show that the maximum impact pressure increases with increasing relative roughness.

  14. 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 ...

  15. Some aspects of steam-water flow simulation in geothermal wells

    Energy Technology Data Exchange (ETDEWEB)

    Shulyupin, Alexander N.

    1996-01-24

    Actual aspects of steam-water simulation in geothermal wells are considered: necessary quality of a simulator, flow regimes, mass conservation equation, momentum conservation equation, energy conservation equation and condition equations. Shortcomings of traditional hydraulic approach are noted. Main questions of simulator development by the hydraulic approach are considered. New possibilities of a simulation with the structure approach employment are noted.

  16. Preliminary simulation of contaminant migration in ground water at the Lawrence Livermore National Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Tompson, A.F.B. [Lawrence Livermore National Lab., CA (United States); McKereghan, P.F.; Nichols, E.M. [Weiss Associates, Emeryville, CA (United States)] [eds.] [and others

    1995-06-01

    This report reviews a set of two-dimensional ground water flow and contaminant transport simulations in the upper aquifer materials beneath Lawrence Livermore National Laboratory (LLNL). The transport simulations focus on the migration, dilution, extraction, and potential degradation of existing aqueous volatile organic compounds (VOCs) in ground water, under both ambient flow and remedial pumping conditions. Simulations are used to show how, where, and at what rate vertically-averaged concentrations decrease to acceptable levels. Both the flow and transport calculations are made with a slightly modified version of the CFEST finite-element code. The hydrogeologic study area is defined to be the upper 200 feet of the saturated sediments within a 25 square mile area surrounding LLNL. Migration calculations focus on a single surrogate total-VOC (TVOC), equal to the sum of all VOC concentrations. Under natural flow conditions, and in the absence of intrinsic contaminant degradation, the results indicate that 800 y are required for the vertically-averaged TVOC concentrations to reduce to 5 parts per billion (ppb) or less in all parts of the study area. Although contaminant levels at several nearby agricultural wells may exceed 5 ppb during this time, levels at the municipal pumping wells in downtown Livermore never exceed 1 ppb. Under non-remedial conditions with an assumed linear TVOC degradation model corresponding to a 50 y half-life, simulation results indicate that all concentrations reduce to 5 ppb in 160 y, with very little impact on water quality at neighboring agricultural or municipal wells. Results of three additional simulations of TVOC migration under the influence of remedial pumping wells indicate that vertically-averaged TVOC concentrations uniformly reach 5 ppb (or below) within 50 to 75 y with little or no impact on water quality at nearby agricultural and municipal wells.

  17. 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.

  18. A Multiscale Simulation Framework to Investigate Hydrobiogeochemical Processes in the Groundwater-Surface Water Interaction Zone

    Science.gov (United States)

    Scheibe, T. D.; Yang, X.; Song, X.; Chen, X.; Hammond, G. E.; Song, H. S.; Hou, Z.; Murray, C. J.; Tartakovsky, A. M.; Tartakovsky, G.; Yang, X.; Zachara, J. M.

    2016-12-01

    The PNNL Subsurface Scientific Focus Area (SFA) project is developing a predictive understanding of the groundwater-surface water interaction zone (termed the subsurface interaction zone, SIZ), which plays an important role in natural ecosystems as it regulates the mixing of nutrients that controls biogeochemical transformations. A key element of this research is to build a multiscale simulation framework that facilitates the integration of new mechanistic understanding from fine-scale controlled laboratory studies with diverse field-scale observations and models. The framework includes multiscale facies analysis, hybrid multiscale simulation and multilevel uncertainty quantification (UQ) analysis. Multiscale facies analysis has defined two types of geological facies: 1) subsurface facies in the aquifer adjacent to the Columbia River; and 2) riverine faciesin the riverbed alluvial sediment. These definitions and associated mapping processes provide a hierarchical structure for parameterization of hydrobiogeochemical (HBGC) processes at multiple scales. A hybrid multiscale simulation approch is used to couple high-fidelity simulations of reactive transport processes in riverine facies with coarsely-resolved simulations of the larger subsurface domain. Simulations at both scales use the same numerical code but with different grid resolutions, heterogeneity models and biogeochemical reaction networks. The hybrid multiscale simulation is able to quantify the potential impacts of biogeochemical hotspots in the alluvial layer on system behavior on a larger scale while maintaining a feasible level of computing cost. A re-scaled Multi-Level Monte Carlo (MLMC) method for UQ combines coarse-resolution simulations with a limited number of fine simulations. The new MLMC method has been applied to the field-scale domain and proved to be more accurate and efficient than existing MC methods. Our multiscale simulation framework provides an integrated model-data platform to

  19. 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.

  20. 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

  1. 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

  2. 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

  3. Urban Water Cycle Simulation/Management Models: A Review

    Directory of Open Access Journals (Sweden)

    Carlos Andrés Peña-Guzmán

    2017-04-01

    Full Text Available Urban water management is increasingly important given the need to maintain water resources that comply with global and local standards of quantity and quality. The effective management of water resources requires the optimization of financial resources without forsaking social requirements. A number of mathematical models have been developed for this task; such models account for all components of the Urban Water Cycle (UWC and their interactions. The wide range of models entails the need to understand their differences in an effort to identify their applicability, so academic, state, and private sectors can employ them for environmental, economic, and social ends. This article presents a description of the UWC and relevant components, a literature review of different models developed between 1990 and 2015, and an analysis of several case studies (applications. It was found that most applications are focused on new supply sources, mainly rainwater. In brief, this article provides an overview of each model’s use (primarily within academia and potential use as a decision-making tool.

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

    Energy Technology Data Exchange (ETDEWEB)

    Khomami, Bamin [Univ. of Tennessee, Knoxville, TN (United States); Cui, Shengting [Univ. of Tennessee, Knoxville, TN (United States); de Almeida, Valmor F. [Oak Ridge National Lab., Oak Ridge, TN (United States); Felker, Kevin [Oak Ridge National Lab., Oak Ridge, TN (United States)

    2013-05-16

    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

  5. Simulation Studies of the Helium and Lead Observatory (HALO)

    Science.gov (United States)

    Sanford, Nikki; Scholberg, Kate

    2012-10-01

    Simulation studies for were conducted for the Helium and Lead Observatory (HALO), the supernova neutrino detector at SNOLAB, Sudbury, Ontario. HALO consists of 79 tons of lead, with 128 ^3He counters which detect the scattered lead neutrons resulting from incoming neutrinos. Improvements were made to the Geant4 Monte Carlo simulation's geometry by the addition of water boxes and plastic baseboards, which serve to reflect scattered neutrons back towards counters, and shield against outside neutrons and gammas. Several box designs were created, and the resulting event detection efficiencies and labeling of 1n and 2n events were studied. It was found that these additions cause a 2% efficiency increase, a slight improvement of correctly labeled events, and are a significant improvement to the HALO simulation.

  6. Hydration and Nanoconfined Water: Insights from Computer Simulations.

    Science.gov (United States)

    Alarcón, Laureano M; Rodríguez Fris, J A; Morini, Marcela A; Sierra, M Belén; Accordino, S A; Montes de Oca, J M; Pedroni, Viviana I; Appignanesi, Gustavo A

    2015-01-01

    The comprehension of the structure and behavior of water at interfaces and under nanoconfinement represents an issue of major concern in several central research areas like hydration, reaction dynamics and biology. From one side, water is known to play a dominant role in the structuring, the dynamics and the functionality of biological molecules, governing main processes like protein folding, protein binding and biological function. In turn, the same principles that rule biological organization at the molecular level are also operative for materials science processes that take place within a water environment, being responsible for the self-assembly of molecular structures to create synthetic supramolecular nanometrically-sized materials. Thus, the understanding of the principles of water hydration, including the development of a theory of hydrophobicity at the nanoscale, is imperative both from a fundamental and an applied standpoint. In this work we present some molecular dynamics studies of the structure and dynamics of water at different interfaces or confinement conditions, ranging from simple model hydrophobic interfaces with different geometrical constraints (in order to single out curvature effects), to self-assembled monolayers, proteins and phospholipid membranes. The tendency of the water molecules to sacrifice the lowest hydrogen bond (HB) coordination as possible at extended interfaces is revealed. This fact makes the first hydration layers to be highly oriented, in some situations even resembling the structure of hexagonal ice. A similar trend to maximize the number of HBs is shown to hold in cavity filling, with small subnanometric hydrophobic cavities remaining empty while larger cavities display an alternation of filled and dry states with a significant inner HB network. We also study interfaces with complex chemical and geometrical nature in order to determine how different conditions affect the local hydration properties. Thus, we show some

  7. Water savings potentials of irrigation systems: dynamic global simulation

    Science.gov (United States)

    Jägermeyr, J.; Gerten, D.; Heinke, J.; Schaphoff, S.; Kummu, M.; Lucht, W.

    2015-04-01

    Global agricultural production is heavily sustained by irrigation, but irrigation system efficiencies are often surprisingly low. However, our knowledge of irrigation efficiencies is mostly confined to rough indicative estimates for countries or regions that do not account for spatio-temporal heterogeneity due to climate and other biophysical dependencies. To allow for refined estimates of global agricultural water use, and of water saving and water productivity potentials constrained by biophysical processes and also non-trivial downstream effects, we incorporated a dynamic representation of the three major irrigation systems (surface, sprinkler, and drip) into a process-based bio- and agrosphere model, LPJmL. Based on this enhanced model we provide a gridded worldmap of dynamically retrieved irrigation efficiencies reflecting differences in system types, crop types, climatic and hydrologic conditions, and overall crop management. We find pronounced regional patterns in beneficial irrigation efficiency (a refined irrigation efficiency indicator accounting for crop-productive water consumption only), due to differences in these features, with lowest values (Sub-Saharan Africa and highest values (> 60%) in Europe and North America. We arrive at an estimate of global irrigation water withdrawal of 2396 km3 (2004-2009 average); irrigation water consumption is calculated to be 1212 km3, of which 511 km3 are non-beneficially consumed, i.e. lost through evaporation, interception, and conveyance. Replacing surface systems by sprinkler or drip systems could, on average across the world's river basins, reduce the non-beneficial consumption at river basin level by 54 and 76%, respectively, while maintaining the current level of crop yields. Accordingly, crop water productivity would increase by 9 and 15%, respectively, and by much more in specific regions such as in the Indus basin. This study significantly advances the global quantification of irrigation systems while

  8. 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

  9. The water cycle in a bottle: simulation of a hydrogeological basin

    Science.gov (United States)

    Nebot Castelló, M. R.; Leiva Hevia, S.

    2012-04-01

    THE WATER CYCLE IN A BOTTLE: simulation of a hydrogeological basin Author: Mª Roser Nebot (Institut Manuel Blancafort, La Garriga, Barcelona, Spain) Co-author: Sílvia Leiva Hevia (Institut Llicà d'Amunt, Lliça d'Amunt, Barcelona, Spain) The activity can be implemented in a great range of ages, because it has many different levels of depth. It is based on the construction of an analogical model of a hydrogeological basin using a 5L or 8L empty bottle. There are also other hands-on experiences that can be done in relation to the central one, such as creating a fountain, making a cloud, fog, a breeze… The use of a model that the students have to build and interact with enhances the possibility of cooperative and dialogic learning. The set of activities begins with an introduction to see what the students know about the water cycle and to focus on what they are going to work on. It also makes them think about underground water, which is frequently forgotten when drawing and studying the water cycle. Then, the building of the water cycle simulation from an empty bottle is presented, see http://www.xtec.cat/cirel/pla_le/nottingham/roser_nebot/index.htm (Unit 5). You will also find other activities related to the water cycle at the site. The students build the model, water the soil, and observe infiltration and the formation of a lake. Using a syringe they overexploit the well and dry the lake. By making the students label the underground water level and observe how water percolates through the holes in the aquifer we are making them aware that underground water doesn't circulate in rivers inside underground tunnels, but through the interconnected holes and crevices. Inside the bottle there is a little plant to observe evapotranspiration but, because it is very difficult to see the water droplets in the small plant that is inside the set-up, it is advisable to do a parallel experiment using bigger plants in a pot, covering them with a plastic bag tied around the

  10. Water and salt balance of Great Salt Lake, Utah, and simulation of water and salt movement through the causeway

    Science.gov (United States)

    Wold, Steven R.; Thomas, Blakemore E.; Waddell, Kidd M.

    1997-01-01

    The water and salt balance of Great Salt Lake primarily depends on the amount of inflow from tributary streams and the conveyance properties of a causeway constructed during 1957-59 that divides the lake into the south and north parts. The conveyance properties of the causeway originally included two culverts, each 15 feet wide, and the permeable rock-fill material.During 1980-86, the salt balance changed as a result of record high inflow that averaged 4,627,000 acre-feet annually and modifications made to the conveyance properties of the causeway that included opening a 300-foot-wide breach. In this study, a model developed in 1973 by Waddell and Bolke to simulate the water and salt balance of the lake was revised to accommodate the high water-surface altitude and modifications made to the causeway. This study, done by the U.S. Geological Survey in cooperation with the Utah Department of Natural Resources, Division of State Lands and Forestry, updates the model with monitoring data collected during 1980-86. This report describes the calibration of the model and presents the results of simulations for three hypothetical 10-year periods.During January 1, 1980, to July 31, 1984, a net load of 0.5 billion tons of dissolved salt flowed from the south to the north part of the lake primarily as a result of record inflows. From August 1, 1984, when the breach was opened, to December 31,1986, a net load of 0.3 billion tons of dissolved salt flowed from the north to the south part of the lake primarily as a result of the breach.For simulated inflow rates during a hypothetical 10-year period resulting in the water-surface altitude decreasing from about 4,200 to 4,192 feet, there was a net movement of about 1.0 billion tons of dissolved salt from the south to the north part, and about 1.7 billion tons of salt precipitated in the north part. For simulated inflow rates during a hypothetical 10-year period resulting in a rise in water-surface altitude from about 4,200 to 4

  11. Improvements in Thermal Performance of Mango Hot-water Treatment Equipments: Data Analysis, Mathematical Modelling and Numerical-computational Simulation

    OpenAIRE

    Mendoza Orbegoso, Elder M.; Paul Villar-Yacila; Daniel Marcelo; Justo Oquelis

    2017-01-01

    Mango is one of the most popular and best paid tropical fruits in worldwide markets, its exportation is regulated within a phytosanitary quality control for killing the “fruit fly”. Thus, mangoes must be subject to hot-water treatment process that involves their immersion in hot water over a period of time. In this work, field measurements, analytical and simulation studies are developed on available hot-water treatment equipment called “Original” that only complies wi...

  12. Numerical simulation experiments on water seepage patterns in heterogeneous, unsaturated rock fractures

    Energy Technology Data Exchange (ETDEWEB)

    Pruess, K.

    1996-05-01

    Water seepage has been numerically simulated in heterogeneous fractures, which were conceptualized as two-dimensional heterogeneous porous media. Flow was found to proceed in dendritic patterns along preferential paths, giving rise to such features as localized ponding and bypassing. Limited parameter variation studies have shown strong dependence of seepage patterns on fracture permeability and applied flow rate. The temporal evolution of seeps proceeds on a vast range of time scales. This casts doubt on the applicability of steady-state concepts for water migration in thick unsaturated zones of fractured rock where infiltration is episodic. An approximate invariance of seepage behavior was derived for simultaneous space-and-time scaling. Numerical simulation experiments have confirmed this invariance, as well as its limits of applicability.

  13. 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.

  14. Atmospheric influences on water quality: a simulation of nutrient loading for the Pearl River Basin, USA.

    Science.gov (United States)

    Joyner, Timothy Andrew; Rohli, Robert V

    2013-04-01

    Knowledge of water quality conditions is essential in assessing the health of riverine ecosystems. The goal of this study is to determine the degree to which water quality variables are related to precipitation and air temperature conditions for a segment of the Pearl River Basin near Bogalusa, LA, USA. The AQUATOX ecological fate simulation model is used to estimate daily total nitrogen, total phosphorus, and dissolved oxygen concentrations over a 2-year period. Daily modeled output for each variable was calibrated against reliably measured data to assess the accuracy. Observed data were plotted against simulated data for controlled and perturbed models for validation, and stepwise multiple regression analysis was used to quantify the relationships between the water quality and meteorological variables. Results suggest that daily dissolved oxygen is significantly negatively correlated to concurrent daily mean air temperature with a total explained variance of 0.679 (p water quality in the Pearl Basin. Therefore, environmental planners should expect that future climatic changes are likely to alter water quality.

  15. Boiling of simulated tap water: effect on polar brominated disinfection byproducts, halogen speciation, and cytotoxicity.

    Science.gov (United States)

    Pan, Yang; Zhang, Xiangru; Wagner, Elizabeth D; Osiol, Jennifer; Plewa, Michael J

    2014-01-01

    Tap water typically contains numerous halogenated disinfection byproducts (DBPs) as a result of disinfection, especially of chlorination. Among halogenated DBPs, brominated ones are generally significantly more toxic than their chlorinated analogues. In this study, with the aid of ultra performance liquid chromatography/electrospray ionization-triple quadrupole mass spectrometry by setting precursor ion scans of m/z 79/81, whole spectra of polar brominated DBPs in simulated tap water samples without and with boiling were revealed. Most polar brominated DBPs were thermally unstable and their levels were substantially reduced after boiling via decarboxylation or hydrolysis; the levels of a few aromatic brominated DBPs increased after boiling through decarboxylation of their precursors. A novel adsorption unit for volatile total organic halogen was designed, which enabled the evaluation of halogen speciation and mass balances in the simulated tap water samples during boiling. After boiling for 5 min, the overall level of brominated DBPs was reduced by 62.8%, of which 39.8% was volatilized and 23.0% was converted to bromide; the overall level of chlorinated DBPs was reduced by 61.1%, of which 44.4% was volatilized and 16.7% was converted to chloride; the overall level of halogenated DBPs was reduced by 62.3%. The simulated tap water sample without boiling was cytotoxic in a chronic (72 h) exposure to mammalian cells; this cytotoxicity was reduced by 76.9% after boiling for 5 min. The reduction in cytotoxicity corresponded with the reduction in overall halogenated DBPs. Thus, boiling of tap water can be regarded as a "detoxification" process and may reduce human exposure to halogenated DBPs through tap water ingestion.

  16. 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…

  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. preliminary multidomain modelling and simulation study

    African Journals Online (AJOL)

    user

    PRELIMINARY MULTIDOMAIN MODELLING AND SIMULATION STUDY OF A. HORIZONTAL AXIS WIND TURBINE (HAWT) TOWER VIBRATION. I. lliyasu1, I. Iliyasu2, I. K. Tanimu3 and D. O Obada4. 1,4 DEPARTMENT OF MECHANICAL ENGINEERING, AHMADU BELLO UNIVERSITY, ZARIA, KADUNA STATE. NIGERIA.

  19. Simulating sunflower canopy temperatures to infer root-zone soil water potential

    Science.gov (United States)

    Choudhury, B. J.; Idso, S. B.

    1983-01-01

    A soil-plant-atmosphere model for sunflower (Helianthus annuus L.), together with clear sky weather data for several days, is used to study the relationship between canopy temperature and root-zone soil water potential. Considering the empirical dependence of stomatal resistance on insolation, air temperature and leaf water potential, a continuity equation for water flux in the soil-plant-atmosphere system is solved for the leaf water potential. The transpirational flux is calculated using Monteith's combination equation, while the canopy temperature is calculated from the energy balance equation. The simulation shows that, at high soil water potentials, canopy temperature is determined primarily by air and dew point temperatures. These results agree with an empirically derived linear regression equation relating canopy-air temperature differential to air vapor pressure deficit. The model predictions of leaf water potential are also in agreement with observations, indicating that measurements of canopy temperature together with a knowledge of air and dew point temperatures can provide a reliable estimate of the root-zone soil water potential.

  20. Study of Cardiac Defibrillation Through Numerical Simulations

    Science.gov (United States)

    Bragard, J.; Marin, S.; Cherry, E. M.; Fenton, F. H.

    Three-dimensional numerical simulations of the defibrillation problem are presented. In particular, in this study we use the rabbit ventricular geometry as a realistic model system for evaluating the efficacy of defibrillatory shocks. Statistical data obtained from the simulations were analyzed in term of a dose-response curve. Good quantitative agreement between our numerical results and clinically relevant values is obtained. An electric field strength of about 6.6 V/cm indicates a fifty percent probability of successful defibrillation for a 12-ms monophasic shock. Our validated model will be useful for optimizing defibrillation protocols.

  1. 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)

  2. Geohydrology and simulations of ground-water flow at Verona well field, Battle Creek, Michigan, 1988

    Science.gov (United States)

    Lynch, E.A.; Grannemann, N.G.

    1997-01-01

    Public water supply for the city of Battle Creek, Mich. is withdrawn from the Marshall Sandstone through wells at the Verona well field. Analysis of borehole acoustic televiewer, gamma, and single-point-resistance logs from wells in Bailey Park, near the well field, indicates 12 fracture zones in the Marshall Sandstone. Further interpretation of flow-meter and temperature logs from the same wells indicates that the fracture zones are locally interconnected but appear to remain isolated over a lateral distance of 3,000 feet. Organic chemicals were detected in water samples collected from water-supply wells in the Verona well field in 1981. In 1985, six water-supply wells were converted to purge wells to intercept organic chemicals and divert them from the remaining water-supply wells. Removal of these wells from service resulted in a water-supply shortage. A proposal in which an alternative purge system could be installed so that wells that are out of service may be reactivated was examined. A ground-water-flow model developed for this study indicates that, under the current purge configuration, most water from contaminant-source areas either is captured by purge wells or flows to the Battle Creek River. Some water, however, is captured by three water-supply wells. Model simulations indicate that with the addition of eight purge wells, the well field would be protected from contamination, most water from the contaminant-source areas would be captured by the purge system, and only a small portion would flow to the Battle Creek River. In an effort to augment the city's water supply, the potential for expansion of the Verona well field to the northeast also was investigated. Because of the addition of three municipal wells northeast of the well field, some water from the site of a gasoline spill may be captured by two water-supply wells. Ground water in the area northeast of Verona well field contains significantly lower concentrations of iron, manganese, and calcium

  3. 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

  4. An integrated model for simulating and diagnosing the water quality based on the system dynamics and Bayesian network.

    Science.gov (United States)

    Wang, Gengzhe; Wang, Shuo; Kang, Qiao; Duan, Haiyan; Wang, Xian'En

    2016-12-01

    An integrated model for simulating and diagnosing water quality based on the system dynamics and Bayesian network (BN) is presented in the paper. The research aims to connect water monitoring downstream with outlet management upstream in order to present an efficiency outlet management strategy. The integrated model was built from two components: the system dynamics were used to simulate the water quality and the BN was applied to diagnose the reason for water quality deterioration according to the water quality simulation. The integrated model was applied in a case study of the Songhua River from the Baiqi section to the Songlin section to prove its reasonability and accuracy. The results showed that the simulation fit to the variation trend of monitoring data, and the average relative error was less than 10%. The water quality deterioration in the Songlin section was mainly found to be caused by the water quality in the upper reach and Hadashan Reservoir drain by using the diagnosis function of the integrated model based on BN. The relevant result revealed that the integrated model could provide reasonable and quantitative support for the basin manager to make a reasonable outlet control strategy to avoid more serious water quality deterioration.

  5. Simulated patient studies: an ethical analysis.

    Science.gov (United States)

    Rhodes, Karin V; Miller, Franklin G

    2012-12-01

    In connection with health care reform, the U.S. Department of Health and Human Services commissioned a "mystery shopper," or simulated patient study, to measure access to primary care. But the study was shelved because of public controversy over "government spying" on doctors. Opponents of the study also raised ethical concerns about the use of deception with human subjects without soliciting their informed consent. We undertook an ethical analysis of the use of simulated patient techniques in health services research, with a particular focus on research measuring access to care. Using a case study, we explored relevant methodological considerations and ethical principles relating to deceptive research without informed consent, as well as U.S. federal regulations permitting exceptions to consent. Several relevant considerations both favor and oppose soliciting consent for simulated patient studies. Making research participation conditional on informed consent protects the autonomy of research subjects and shields them from unreasonable exposure to research risks. However, scientific validity is also an important ethical principle of human subjects research, as the net risks to subjects must be justified by the value to society of the knowledge to be gained. The use of simulated patients to monitor access is a naturalistic and scientifically sound experimental design that can answer important policy-relevant questions, with minimal risks to human subjects. As interaction between researchers and subjects increases, however, so does the need for consent. As long as adequate protections of confidentiality of research data are in place, minimally intrusive simulated patient research that gathers policy-relevant data on the health system without the consent of individuals working in that system can be ethically justified when the risks and burdens to research subjects are minimal and the research has the potential to generate socially valuable knowledge. © 2012 Milbank

  6. Simulation of ground-water flow in the Mississippi River Valley alluvial aquifer in eastern Arkansas

    Science.gov (United States)

    Mahon, G.L.; Ludwig, A.H.

    1990-01-01

    The U.S Geological Survey has developed and calibrated a digital model of the flow system in the alluvial aquifer as part of a multiagency Eastern Arkansas Region Comprehensive Study being conducted by the U. S. Army Corps of Engineers. Other cooperating agencies include the U.S. Soil Conservation Service, the Arkansas Soil and Water Conservation Commission, and the University of Arkansas. The study was prompted by the growing concern about significant water level declines in the Mississippi River Valley alluvial aquifer north of the Arkansas River in eastern Arkansas. The declines are a result of large groundwater withdrawals, mainly for irrigation. After calibration, the flow model was used to simulate the effects of projected groundwater pumpage through the year 2050, based on estimates made by the U.S. Soil Conservation Service for pumpage scenarios with and without water conservation measures. Simulations of projected pumpage indicated that by the year 2050 water level declines would reduce the saturated thickness of the aquifer to less than 20 ft in large areas of eastern Arkansas. More than 26% of the active cells in the scenario without conservation had saturated thicknesses of 20 ft or less and mroe than 16% in the scenario with conservation. The principal areas where the saturated thickness is expected to reach these critical levels are in the Grand Prairie region and in two areas on the east and west sides of Crowleys Ridge. (USGS)

  7. MODFLOW-based coupled surface water routing and groundwater-flow simulation

    Science.gov (United States)

    Hughes, Joseph D.; Langevin, Christian D.; White, Jeremy T.

    2015-01-01

    In this paper, we present a flexible approach for simulating one- and two-dimensional routing of surface water using a numerical surface water routing (SWR) code implicitly coupled to the groundwater-flow process in MODFLOW. Surface water routing in SWR can be simulated using a diffusive-wave approximation of the Saint-Venant equations and/or a simplified level-pool approach. SWR can account for surface water flow controlled by backwater conditions caused by small water-surface gradients or surface water control structures. A number of typical surface water control structures, such as culverts, weirs, and gates, can be represented, and it is possible to implement operational rules to manage surface water stages and streamflow. The nonlinear system of surface water flow equations formulated in SWR is solved by using Newton methods and direct or iterative solvers. SWR was tested by simulating the (1) Lal axisymmetric overland flow, (2) V-catchment, and (3) modified Pinder-Sauer problems. Simulated results for these problems compare well with other published results and indicate that SWR provides accurate results for surface water-only and coupled surface water/groundwater problems. Results for an application of SWR and MODFLOW to the Snapper Creek area of Miami-Dade County, Florida, USA are also presented and demonstrate the value of coupled surface water and groundwater simulation in managed, low-relief coastal settings.

  8. Lattice Boltzmann simulation of water isotope fractionation during ice crystal growth in clouds

    Science.gov (United States)

    Lu, Guoping; DePaolo, Donald J.

    2016-05-01

    We describe a lattice Boltzmann (LB) method for simulating water isotope fractionation during diffusion-limited ice crystal growth by vapor deposition from water-oversaturated air. These conditions apply to the growth of snow crystals in clouds where the vapor composition is controlled by the presence of both ice crystals and water droplets. Modeling of water condensation with the LB method has the advantage of allowing concentration fields to evolve based on local conditions so that the controls on grain shapes of the condensed phase can be studied simultaneously with the controls on isotopic composition and growth rate. Water isotope fractionation during snow crystal growth involves kinetic effects due to diffusion of water vapor in air, which requires careful consideration of the boundary conditions at the ice-vapor interface. The boundary condition is relatively simple for water isotopes because the molecular exchange rate for water at the interface is large compared to the crystal growth rate. Our results for the bulk crystal isotopic composition are consistent with simpler models using analytical solutions for radial geometry. However, the model results are sufficiently different for oxygen isotopes that they could affect the interpretation of D-excess values of snow and ice. The extent of vapor oversaturation plays a major role in determining the water isotope fractionation as well as the degree of dendritic growth. Departures from isotopic equilibrium increase at colder temperatures as diffusivity decreases. Dendritic crystals are isotopically heterogeneous. Isotopic variations within individual snow crystals could yield information on the microphysics of ice condensation as well as on the accommodation or sticking coefficient of water associated with vapor deposition. Our results are ultimately a first step in implementing LB models for kinetically controlled condensation or precipitation reactions, but needs to be extended also to cases where the

  9. LABORATORY SIMULATION OF POROUS ASPHALT PARKING LOT SYSTEM AND MIX DESIGN FOR STORM WATER MANAGEMENT

    Directory of Open Access Journals (Sweden)

    M. O. HAMZAH

    2013-04-01

    Full Text Available Porous asphalt pavement was initially developed for the purpose of improving road safety, best candidate material for quiet pavement and to avoid aquaplaning and skidding in wet weather. However, from previous studies, porous asphalt is able to mitigate surface runoff. Porous asphalt parking lots with underlying reservoir course perform as additional temporary water storage matrix that enables reduction of flash flood. This paper elaborates the development of a new porous asphalt aggregate grading design for storm water mitigation using the Nominal Maximum Aggregate Size (NMAS 20 mm. The properties of the mixes were quantified and evaluated in terms of air voids, permeability, abrasion loss and indirect tensile strength. It was found that the proposed gradation has the best permeability and Indirect Tensile Strength (ITS values when compacted at 50 blows per face with a standard Marshal compactor. The porous asphalt slab was prepared using a slab compactor to simulate porous parking lot paving at site. The porous asphalt slab was finally placed inside a locally fabricated water flow simulator to simulate a porous asphalt pavement system for parking lots.

  10. Simulation of water-rock interaction in the Yellowstone geothermal system using TOUGHREACT

    Energy Technology Data Exchange (ETDEWEB)

    Dobson, Patrick F.; Salah, Sonia; Spycher, Nicolas; Sonnenthal, Eric L.

    2003-04-28

    The Yellowstone geothermal system provides an ideal opportunity to test the ability of reactive transport models to simulate the chemical and hydrological effects of 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 simulate 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.

  11. Simulation of in-stream water quality on global scale under changing climate and anthropogenic conditions

    Science.gov (United States)

    Voss, Anja; Bärlund, Ilona; Punzet, Manuel; Williams, Richard; Teichert, Ellen; Malve, Olli; Voß, Frank

    2010-05-01

    Although catchment scale modelling of water and solute transport and transformations is a widely used technique to study pollution pathways and effects of natural changes, policies and mitigation measures there are only a few examples of global water quality modelling. This work will provide a description of the new continental-scale model of water quality WorldQual and the analysis of model simulations under changed climate and anthropogenic conditions with respect to changes in diffuse and point loading as well as surface water quality. BOD is used as an indicator of the level of organic pollution and its oxygen-depleting potential, and for the overall health of aquatic ecosystems. The first application of this new water quality model is to river systems of Europe. The model itself is being developed as part of the EU-funded SCENES Project which has the principal goal of developing new scenarios of the future of freshwater resources in Europe. The aim of the model is to determine chemical fluxes in different pathways combining analysis of water quantity with water quality. Simple equations, consistent with the availability of data on the continental scale, are used to simulate the response of in-stream BOD concentrations to diffuse and anthropogenic point loadings as well as flow dilution. Point sources are divided into manufacturing, domestic and urban loadings, whereas diffuse loadings come from scattered settlements, agricultural input (for instance livestock farming), and also from natural background sources. The model is tested against measured longitudinal gradients and time series data at specific river locations with different loading characteristics like the Thames that is driven by domestic loading and Ebro with relative high share of diffuse loading. With scenario studies the influence of climate and anthropogenic changes on European water resources shall be investigated with the following questions: 1. What percentage of river systems will have

  12. Environmental Systems Simulations for Carbon, Energy, Nitrogen, Water, and Watersheds: Design Principles and Pilot Testing

    Science.gov (United States)

    Lant, Christopher; Pérez-Lapeña, Blanca; Xiong, Weidong; Kraft, Steven; Kowalchuk, Rhonda; Blair, Michael

    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 math (STEM) education simulations illustrate…

  13. Numerical Simulation of Water Jet Flow Using Diffusion Flux Mixture Model

    Directory of Open Access Journals (Sweden)

    Zhi Shang

    2014-01-01

    Full Text Available A multidimensional diffusion flux mixture model was developed to simulate water jet two-phase flows. Through the modification of the gravity using the gradients of the mixture velocity, the centrifugal force on the water droplets was able to be considered. The slip velocities between the continuous phase (gas and the dispersed phase (water droplets were able to be calculated through multidimensional diffusion flux velocities based on the modified multidimensional drift flux model. Through the numerical simulations, comparing with the experiments and the simulations of traditional algebraic slip mixture model on the water mist spray, the model was validated.

  14. 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

  15. Simulating gas-water relative permeabilities for nanoscale porous media with interfacial effects

    Directory of Open Access Journals (Sweden)

    Wang Jiulong

    2017-08-01

    Full Text Available This paper presents a theoretical method to simulate gas-water relative permeability for nanoscale porous media utilizing fractal theory. The comparison between the calculation results and experimental data was performed to validate the present model. The result shows that the gas-water relative permeability would be underestimated significantly without interfacial effects. The thinner the liquid film thickness, the greater the liquid-phase relative permeability. In addition, both liquid surface diffusion and gas diffusion coefficient can promote gas-liquid two-phase flow. Increase of liquid surface diffusion prefer to increase liquid-phase permeability obviously as similar as increase of gas diffusion coefficient to increase gas-phase permeability. Moreover, the pore structure will become complicated with the increase of fractal dimension, which would reduce the gas-water relative permeability. This study has provided new insights for development of gas reservoirs with nanoscale pores such as shale.

  16. Car-Parrinello molecular dynamics simulations of Na+-Cl- ion pair in liquid water

    Directory of Open Access Journals (Sweden)

    J.M.Khalack

    2004-01-01

    Full Text Available The aqueous solvation shell of a Na+-Cl- pair is studied using Car-Parrinello molecular dynamics simulations. Water-mediated and contact states of the ion pair are investigated. The first hydration shell of the Na+ ion is found to be octahedral with one vacant position for both states. In the contact state one of the water molecules is substituted by the Cl- ion. The first hydration shell of the Cl- is less structured and strongly effected by the proximity of the Na+ in the contact state. The oxygen coordination numbers for Na+ and Cl- are 4.9 and 5.6 for the water-mediated state, and 3.6 and 6.4 for the contact state. The corresponding hydrogen coordination numbers are 10.9 and 5.2; 9.2 and 3.9, respectively.

  17. Water Impact Test and Simulation of a Composite Energy Absorbing Fuselage Section

    Science.gov (United States)

    Fasanella, Edwin L.; Jackson, Karen E.; Sparks, Chad; Sareen, Ashish

    2003-01-01

    In March 2002, a 25-ft/s vertical drop test of a composite fuselage section was conducted onto water. The purpose of the test was to obtain experimental data characterizing the structural response of the fuselage section during water impact for comparison with two previous drop tests that were performed onto a rigid surface and soft soil. For the drop test, the fuselage section was configured with ten 100-lb. lead masses, five per side, that were attached to seat rails mounted to the floor. The fuselage section was raised to a height of 10-ft. and dropped vertically into a 15-ft. diameter pool filled to a depth of 3.5-ft. with water. Approximately 70 channels of data were collected during the drop test at a 10-kHz sampling rate. The test data were used to validate crash simulations of the water impact that were developed using the nonlinear, explicit transient dynamic codes, MSC.Dytran and LS-DYNA. The fuselage structure was modeled using shell and solid elements with a Lagrangian mesh, and the water was modeled with both Eulerian and Lagrangian techniques. The fluid-structure interactions were executed using the fast general coupling in MSC.Dytran and the Arbitrary Lagrange-Euler (ALE) coupling in LS-DYNA. Additionally, the smooth particle hydrodynamics (SPH) meshless Lagrangian technique was used in LS-DYNA to represent the fluid. The simulation results were correlated with the test data to validate the modeling approach. Additional simulation studies were performed to determine how changes in mesh density, mesh uniformity, fluid viscosity, and failure strain influence the test-analysis correlation.

  18. 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

  19. Hydrology and simulation of ground-water flow in the Tooele Valley ground-water basin, Tooele County, Utah

    Science.gov (United States)

    Stolp, Bernard J.; Brooks, Lynette E.

    2009-01-01

    and bicarbonate. Dissolved-solids concentration increases in the central and northern parts of Tooele Valley, at the distal ends of the ground-water flow paths. Increased concentration is due mainly to greater amounts of sodium and chloride. Deuterium and oxygen-18 values indicate water recharged primarily from precipitation occurs throughout the ground-water basin. Ground water with the highest percentage of recharge from irrigation exists along the eastern margin of Tooele Valley, indicating negligible recharge from the adjacent consolidated rock. Tritium and tritiogenic helium-3 concentrations indicate modern water exists along the flow paths originating in the Oquirrh Mountains between Settlement and Pass Canyons and extending between the steep hydraulic gradient areas at Tooele Army Depot and Erda. Pre-modern water exists in areas east of Erda and near Stansbury Park. Using the change in tritium along the flow paths originating in the Oquirrh Mountains, a first-order estimate of average linear ground-water velocity for the general area is roughly 2 to 5 feet per day. A numerical ground-water flow model was developed to simulate ground-water flow in the Tooele Valley ground-water basin and to test the conceptual understanding of the ground-water system. Simulating flow in consolidated rock allows recharge and withdrawal from wells in or near consolidated rock to be simulated more accurately. In general, the model accurately simulates water levels and water-level fluctuations and can be considered an adequate tool to help determine the valley-wide effects on water levels of additional ground-water withdrawal and changes in water use. The simulated increase in storage during a projection simulation using 2003 withdrawal rates and average recharge indicates that repeated years of average precipitation and recharge conditions do not completely restore the system after multiple years of below-normal precipitation. In the similar case where precipitation is 90

  20. Miscibility and Thermodynamics of Mixing of Different Models of Formamide and Water in Computer Simulation.

    Science.gov (United States)

    Kiss, Bálint; Fábián, Balázs; Idrissi, Abdenacer; Szőri, Milán; Jedlovszky, Pál

    2017-07-27

    The thermodynamic changes that occur upon mixing five models of formamide and three models of water, including the miscibility of these model combinations itself, is studied by performing Monte Carlo computer simulations using an appropriately chosen thermodynamic cycle and the method of thermodynamic integration. The results show that the mixing of these two components is close to the ideal mixing, as both the energy and entropy of mixing turn out to be rather close to the ideal term in the entire composition range. Concerning the energy of mixing, the OPLS/AA_mod model of formamide behaves in a qualitatively different way than the other models considered. Thus, this model results in negative, while the other ones in positive energy of mixing values in combination with all three water models considered. Experimental data supports this latter behavior. Although the Helmholtz free energy of mixing always turns out to be negative in the entire composition range, the majority of the model combinations tested either show limited miscibility, or, at least, approach the miscibility limit very closely in certain compositions. Concerning both the miscibility and the energy of mixing of these model combinations, we recommend the use of the combination of the CHARMM formamide and TIP4P water models in simulations of water-formamide mixtures.

  1. 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.

  2. 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.

  3. KE Basin water dispositioning engineering study

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-09-23

    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.

  4. 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.

  5. Migration of BTEX and Biodegradation in Shallow Underground Water through Fuel Leak Simulation.

    Science.gov (United States)

    Cheng, Yaping; Chen, Yudao; Jiang, Yaping; Jiang, Lingzhi; Sun, Liqun; Li, Liuyue; Huang, Junyu

    2016-01-01

    To provide more reasonable references for remedying underground water, fuel leak was simulated by establishing an experimental model of a porous-aquifer sand tank with the same size as that of the actual tank and by monitoring the underground water. In the tank, traditional gasoline and ethyl alcohol gasoline were poured. This study was conducted to achieve better understanding of the migration and distribution of benzene, toluene, ethyl benzene, and xylene (BTEX), which are major pollutants in the underground water. Experimental results showed that, compared with conventional gasoline, the content peak of BTEX in the mixture of ethyl alcohol gasoline appeared later; BTEX migrated along the water flow direction horizontally and presented different pollution halos; BTEX also exhibited the highest content level at 45 cm depth; however, its content declined at the 30 and 15 cm depths vertically because of the vertical dispersion effect; the rise of underground water level increased the BTEX content, and the attenuation of BTEX content in underground water was related to the biodegradation in the sand tank, which mainly included biodegradation with oxygen, nitrate, and sulfate.

  6. Simulation of external contamination into water distribution systems through defects in pipes

    Science.gov (United States)

    López, P. A.; Mora, J. J.; García, F. J.; López, G.

    2009-04-01

    Water quality can be defined as a set of properties (physical, biological and chemical) that determine its suitability for human use or for its role in the biosphere. In this contribution we focus on the possible impact on water distribution systems quality of external contaminant fluids entering through defects in pipes. The physical integrity of the distribution system is a primary barrier against the entry of external contaminants and the loss in quality of the treated drinking water, but this integrity can be broken. Deficiencies in physical and hydraulic integrity can lead into water losses, but also into the influx of contaminants through pipes walls, either through breaks coming from external subsoil waters, or via cross connections coming from sewerage or other facilities. These external contamination events (the so called pathogen intrusion phenomenon) can act as a source of income by introducing nutrients and sediments as well as decreasing disinfectant concentrations within the distribution system, thus resulting in a degradation of the distribution water quality. The objective of this contribution is to represent this pathogen intrusion phenomenon. The combination of presence of defects in the infrastructures (equipment failure), suppression and back-siphonage and lack of disinfection is the cause of propagation of contamination in the clean current of water. Intrusion of pathogenic microorganisms has been studied and registered even in well maintained services. Therefore, this situation can happen when negative pressure conditions are achieved in the systems combined with the presence of defects in pipes nearby the suppression. A simulation of the process by which the external fluids can come inside pipes across their defects in a steady-state situation will be considered, by using different techniques to get such a successful modeling, combining numerical and experimental simulations. The proposed modeling process is based on experimental and

  7. Parameterizing deep water percolation improves subsurface temperature simulations by a multilayer firn model.

    NARCIS (Netherlands)

    Marchenko, S.; van Pelt, W.J.J.; Claremar, B.; Machguth, H.; Reijmer, C.H.; Pettersson, R.; Pohjola, V.A.

    2017-01-01

    Deep preferential percolation of melt water in snow and firn brings water lower along the vertical profile than a laterally homogeneous wetting front. This widely recognized process is an important source of uncertainty in simulations of subsurface temperature, density, and water content in seasonal

  8. Molecular dynamics simulation study of methanesulfonic acid

    OpenAIRE

    Canales Gabriel, Manel; Alemán Llansó, Carlos

    2014-01-01

    A molecular dynamics simulation study of methanesulfonic acid has been carried out using a reliable force field in a large range of temperatures. Several thermodynamic, structural, and dynamical properties have been calculated and compared with the available experimental data. The density, the shear viscosity, the heat of vaporization, and the melting temperature results, calculated from this force field, are in a good agreement with the experimental data. Analysis of the influence of the hyd...

  9. Vertical Jump: Biomechanical Analysis and Simulation Study

    OpenAIRE

    Babic, Jan; Lenarcic, Jadran

    2007-01-01

    By building an efficient biorobotic model which includes an elastic model of the biarticular muscle gastrocnemius and by simulation of the vertical jump we have demonstrated that biarticular links contribute a great deal to the performance of the vertical jump. Besides, we have shown that timing of the biarticular link activation and stiffness of the biarticular link considerably influence the height of the jump. Methodology and results of our study offer an effective tool for the design of t...

  10. Detection of subsurface-intensified eddies from observations of the sea-surface: a case study for Mediterranean Water Eddies in a long-term high-resolution simulation

    Science.gov (United States)

    Ciani, Daniele; Carton, Xavier; Barbosa Aguiar, Ana Claudia; Peliz, Alvaro; Bashmachnikov, Igor; Ienna, Federico; Chapron, Bertrand

    2017-04-01

    Subsurface-intensified eddies are ubiquitous in the world ocean. They can be generated by exchanges of water masses between semi-enclosed evaporation basins and the open ocean or by deep convection. Past and recent studies have shown that these eddies are carriers of large amounts of heat and salt, that they are coherent over inter-annual timescales and that they can migrate for several thousands of miles from their origination areas towards the open ocean. Hence, subsurface-intensified eddies can influence the three-dimensional distribution of oceanic tracers at global scale. The synoptic knowledge of the eddies positions and mean pathways is then crucial for evaluating temperature and salinity budgets in the world ocean. At present day, satellite sensors constitute the ideal tool for the synoptic and global scale observations of the ocean. Since they only provide informations on the oceanic surface, we characterized the signatures that subsurface eddies generate at the sea-surface, to determine the extent to which they can be isolated from the surrounding surface turbulence and be considered as a trace of an underlying eddy. We studied the surface signature of subsurface-intensified anticyclones (Mediterranean Water Eddies - Meddies) in a realistic, long-term (20 years) and high resolution simulation (dx = 3 km) based on the ROMS model. The novelty and advantage of this approach is given by the simultaneous availability of the full 3D eddies characteristics, the ones of the background ocean and of the sea-surface (in terms of sea-surface height, temperature and salinity). This also allowed us to speculate on a synergy between different satellite observations for the automatic detection of subsurface eddies from space. The along trajectory properties and surface signatures of more than 90 long-lived Meddies were analyzed. We showed that the Meddies constantly generate positive anomalies in sea-surface height and that these anomalies are principally related to the

  11. 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

  12. The Influence of CO2 Solubility in Brine on Simulation of CO2 Injection into Water Flooded Reservoir and CO2 WAG

    DEFF Research Database (Denmark)

    Yan, Wei; Stenby, Erling Halfdan

    2010-01-01

    simulations. In our previous study, a 1-D slimtube simulator, which rigorously accounts for both CO2 solubility in brine and water content in hydrocarbon phases using the Peng-Robinson EoS modified by Soreide and Whitson, has been used to investigate the influence of CO2 solubility on the simulation...

  13. Geohydrology, Geochemistry, and Ground-Water Simulation-Optimization of the Central and West Coast Basins, Los Angeles County, California

    Science.gov (United States)

    Reichard, Eric G.; Land, Michael; Crawford, Steven M.; Johnson, Tyler D.; Everett, Rhett; Kulshan, Trayle V.; Ponti, Daniel J.; Halford, Keith L.; Johnson, Theodore A.; Paybins, Katherine S.; Nishikawa, Tracy

    2003-01-01

    Historical ground-water development of the Central and West Coast Basins in Los Angeles County, California through the first half of the 20th century caused large water-level declines and induced seawater intrusion. Because of this, the basins were adjudicated and numerous ground-water management activities were implemented, including increased water spreading, construction of injection barriers, increased delivery of imported water, and increased use of reclaimed water. In order to improve the scientific basis for these water management activities, an extensive data collection program was undertaken, geohydrological and geochemical analyses were conducted, and ground-water flow simulation and optimization models were developed. In this project, extensive hydraulic, geologic, and chemical data were collected from new multiple-well monitoring sites. On the basis of these data and data compiled and collected from existing wells, the regional geohydrologic framework was characterized. For the purposes of modeling, the three-dimensional aquifer system was divided into four aquifer systems?the Recent, Lakewood, Upper San Pedro, and Lower San Pedro aquifer systems. Most pumpage in the two basins is from the Upper San Pedro aquifer system. Assessment of the three-dimensional geochemical data provides insight into the sources of recharge and the movement and age of ground water in the study area. Major-ion data indicate the chemical character of water containing less than 500 mg/L dissolved solids generally grades from calcium-bicarbonate/sulfate to sodium bicarbonate. Sodium-chloride water, high in dissolved solids, is present in wells near the coast. Stable isotopes of oxygen and hydrogen provide information on sources of recharge to the basin, including imported water and water originating in the San Fernando Valley, San Gabriel Valley, and the coastal plain and surrounding hills. Tritium and carbon-14 data provide information on relative ground-water ages. Water with

  14. 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

  15. Assessing GFDL high-resolution climate model water and energy budgets from AMIP simulations over Africa

    Science.gov (United States)

    Tian, Di; Pan, Ming; Jia, Liwei; Vecchi, Gabriel; Wood, Eric F.

    2016-07-01

    This study assessed surface water and energy budgets in Atmospheric Model Intercomparison Project (AMIP) simulations of a coupled atmosphere-land model developed by Geophysical Fluid Dynamics Laboratory (Atmospheric General Circulation Model (AM2.5)). The AM2.5 water and energy budget variables were compared with four reanalyses data sets and an observational-based reference, the Variable Infiltration Capacity model simulations forced by Princeton Global Meteorological Forcing (PGF/VIC) over 20 year period during 1991-2010 in nine African river basins. Results showed that AM2.5 has closed water and energy budgets. However, the discrepancies between AM2.5 and other data sets were notable in terms of their long-term averages. For the water budget, the AM2.5 mostly overestimated precipitation, evapotranspiration, and runoff compared to PGF/VIC and reanalyses. The AM2.5, reanalyses, and PGF/VIC showed similar seasonal cycles but discrepant amplitudes. For the energy budget, while the AM2.5 has relatively consistent net radiation with other data sets, it generally showed higher latent heat, lower sensible heat, and lower Bowen ratio than reanalyses and PGF/VIC. In addition, the AM2.5 water and energy budgets terms mostly had the smallest interannual variability compared to both reanalyses and PGF/VIC. The spatial differences of long-term mean precipitation, runoff, evapotranspiration, and latent heat between AM2.5 and other data sets were reasonably small in dry regions. On average, AM2.5 is closer to PGF/VIC than R2 and 20CR are to PGF/VIC but is not as close as Modern-Era Retrospective analysis for Research and Applications and Climate Forecast System Reanalysis to PGF/VIC. The bias in AM2.5 water and energy budget terms may be associated with the excessive wet surface and parameterization of moisture advection from ocean to land.

  16. 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.

  17. 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.

  18. Pyrosequencing analysis of source water switch and sulfate-induced bacterial community transformation in simulated drinking water distribution pipes.

    Science.gov (United States)

    Yang, Fan; Shi, Baoyou; Zhang, Weiyu; Cui, Jing; Guo, Jianbo; Wang, Dongsheng; Wu, Nan; Liu, Xinyuan

    2017-12-01

    Inter-basin water transfer and source water switching will be increasingly launched due to significant population increase and the shortage of the local water resources in cities around the world. Source water switch may cause physiochemical and microbiological de-stabilization of pipe material, biofilms, and loose deposits in drinking water distribution system (DWDS). Great sulfate alteration during source water switch had been deemed as the main cause of a red water case that occurred in a northern China city. To ascertain the relationship between water quality changing and bacterial communities of biofilms in DWDS and possible bacteria risk in a red water case, water quality changing experiments in simulated DWDSs were conducted for approximately 2 years. Twenty-five corrosion scale samples and eight water samples collected from pipe harvest sites or during experimental periods were analyzed for their bacterial community composition by 454-pyrosequencing technology. Taxonomy results together with redundancy analysis (RDA) or canonical correspondence analysis (CCA) and hierarchical cluster analysis all indicated that bacterial community of samples with groundwater (GW) or surface water (SW) supply history and their variations under high sulfate water were rather different owing to different water source histories and the original pipe scale characteristics. Potential opportunistic pathogens: Burkholderia, Escherichia-Shigella, Mycobacterium, Serratia, Ralstonia, Novosphingobium, Flavobacterium, Sphingomonas, and Sphingopyxis were observed in scale or water samples.

  19. Revised Comparisons of Simulated Hydrodynamics and Water Quality for Projected Demands in 2046, Pueblo Reservoir, Southeastern Colorado

    Science.gov (United States)

    Ortiz, Roderick F.; Miller, Lisa D.

    2009-01-01

    2046) to assess changes in water quality over time. All scenario modeling used an external nutrient-decay model to simulate degradation and assimilation of nutrients along the riverine reach upstream from Pueblo Reservoir. Reservoir modeling was conducted using the U.S. Army Corps of Engineers CE-QUAL-W2 two-dimensional water-quality model. Lake hydrodynamics, water temperature, dissolved oxygen, dissolved solids, dissolved ammonia, dissolved nitrate, total phosphorus, algal biomass, and total iron were simulated. Two reservoir site locations were selected for comparison. Results of simulations at site 3B were characteristic of a riverine environment in the reservoir, whereas results at site 7B (near the dam) were characteristic of the main body of the reservoir. Simulation results for the epilimnion and hypolimnion at these two sites also were evaluated and compared. The simulation results in the hypolimnion at site 7B were indicative of the water quality leaving the reservoir. Comparisons of the different scenario results were conducted to assess if substantial differences were observed between selected scenarios. Each of the scenarios was simulated for three contiguous years representing a wet, average, and dry annual hydrologic cycle (water years 2000 through 2002). Additionally, each selected simulation scenario was evaluated for differences in direct and cumulative effects on a particular scenario. Direct effects are intended to isolate the future effects of the scenarios. Cumulative effects are intended to evaluate the effects of the scenarios in conjunction with all reasonably foreseeable future activities in the study area. Comparisons between the direct- and cumulative-effects analyses indicated that there were not large differences in the results between most of the simulation scenarios, and, as such, the focus of this report was on results for the direct-effects analysis. Additionally, the differences between simulation results generally were

  20. Anuga Software for Numerical Simulations of Shallow Water Flows

    OpenAIRE

    Mungkasi, Sudi; Roberts, Stephen Gwyn

    2012-01-01

    Shallow water flows are governed by the shallow water wave equations, also known as the Saint-Venant system. This paper presents a finite volume method used to solve the two-dimensional shallow water wave equations and how the finite volume method is implemented in ANUGA software. This finite volume method is the numerical method underlying the software. ANUGA is open source software developed by Australian National University (ANU) and Geoscience Australia (GA). This software uses the finite...

  1. ANUGA SOFTWARE FOR NUMERICAL SIMULATIONS OF SHALLOW WATER FLOWS

    OpenAIRE

    Sudi Mungkasi; Stephen Gwyn Roberts

    2012-01-01

    Shallow water flows are governed by the shallow water wave equations, also known as the Saint-Venant system. This paper presents a finite volume method used to solve the two-dimensional shallow water wave equations and how the finite volume method is implemented in ANUGA software. This finite volume method is the numerical method underlying the software. ANUGA is open source software developed by Australian National University (ANU) and Geoscience Australia (GA). This software uses the finite...

  2. Daily Water Quality Forecasting System Linking Weather, Watersheds, Rivers and Dam Reservoirs Based On Numerical Simulations

    Science.gov (United States)

    Byun, C. Y.; Lee, S. J.; Oh, S. S.; Hwang, H. S.; Kim, H. S.

    2016-12-01

    Many large dam reservoirs and rivers, which are the most important water resources in Korea, are under increased pressure from various environmental issues, including an excessive growth of phytoplanktons(algae) because of eutrophication and long-term impact of turbid water on the water supply system after flood events. However most of organizations managing water quality respond to these problems after turbid water or algal blooms happen. But nowadays Korea Water Resources Corporation(K-water) has been upgrading its water quality management system to establish a predictive and preventive management paradigm not only in dam reservoirs but also in rivers and watersheds. For these, K-water has been setting up water quality forecasting systems using 3-dimensional hydrodynamic water quality model ELCOM-CAEDYM to all reservoirs, HSPF(Hydrological Simulation Program Fortran) to 4 watersheds and CE-QUAL-W2 to 4 main rivers in Korean Peninsula. For efficient operation and real time water quality modeling of 3 different models, K-water have also developed integrated software and centralized simulation hardware machines which run all models, link all in- and output together and visualizes results every day. With systems, K-water has been forecasting water quality of all reservoirs and rivers according to 5 days weather forecasting results and applying to predict the water quality changes in dams, rivers and watersheds in advance according to operation rule changes and climate changes.

  3. Parametric study on flow dispersion of water sprinkle

    Science.gov (United States)

    Tan, R. C.; Khafar, M. H. A.; Abdullah, N. I. S.; Chendang, R. N.; Taib, I.; Asmuin, N.; Ramli, Y.; Seri, S. M.; Mohammed, A. N.

    2017-09-01

    Although water sprinkler is used extensively in agriculture, little effort had been made to improve its performance, resulting in many sprinkler head available at market having less optimum design. Thus, this study aims to improve the basic design of water sprinkler head by conducting a parametric study on the effect of model geometry due to different flow characteristics. A common type of water sprinkler is modelled with computer aided design software and various changes such as enlarging nozzle diameter from 4mm to 8mm, changing vane angle from 70 degrees to 45 degrees are made to the original model. The models were simulated with computational fluid dynamics (CFD) software to investigate how the variation in geometry affects the flow of water and the performance of sprinkler head. The performance of water sprinkler is compared to original model in terms of watering distance, area of spray and velocity of water jet in air. The result of this study shows that enlarge the nozzle diameter have a positive effect on the velocity of water jet in air and the area covered by water jet but it drastically decreases the watering distance of sprinkler. Besides that, changing the angle of vane from 70 degrees to 45 degrees decrease the watering distance slightly and it concentrates the water into a fine jet that cover a small area. To reduce the effect, grooves can be added to the vane to increase the divergence of water spray. Reducing the angle of curvature from 10 degrees to 5 degrees improves the watering distance. The angle of curvature can be reduced more to increase the watering distance further.

  4. 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.

  5. ORD Studies of Water Quality in Hospitals

    Science.gov (United States)

    Presentation descibes results from two studies of water quality and pathogen occurrence in water and biofilm samples from two area hospitals. Includes data on the effectiveness of copper/silver ionization as a disinfectant.

  6. Simulation of water-rock interaction in the yellowstone geothermal system using TOUGHREACT

    Energy Technology Data Exchange (ETDEWEB)

    Dobson, P.F.; Salah, S.; Spycher, N.; Sonnenthal, E.

    2003-04-28

    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.

  7. 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.

  8. 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.

  9. Water retention of selected microorganisms and Martian soil simulants under close to Martian environmental conditions

    Science.gov (United States)

    Jänchen, J.; Bauermeister, A.; Feyh, N.; de Vera, J.-P.; Rettberg, P.; Flemming, H.-C.; Szewzyk, U.

    2014-08-01

    Based on the latest knowledge about microorganisms resistant towards extreme conditions on Earth and results of new complex models on the development of the Martian atmosphere we quantitatively examined the water-bearing properties of selected extremophiles and simulated Martian regolith components and their interaction with water vapor under close to Martian environmental conditions. Three different species of microorganisms have been chosen and prepared for our study: Deinococcus geothermalis, Leptothrix sp. OT_B_406, and Xanthoria elegans. Further, two mineral mixtures representing the early and the late Martian surface as well as montmorillonite as a single component of phyllosilicatic minerals, typical for the Noachian period on Mars, were selected. The thermal mass loss of the minerals and bacteria-samples was measured by thermoanalysis. The hydration and dehydration properties were determined under close to Martian environmental conditions by sorption isotherm measurements using a McBain-Bakr quartz spring balance. It was possible to determine the total water content of the materials as well as the reversibly bound water fraction as function of the atmospheres humidity by means of these methods. Our results are important for the evaluation of future space mission outcomes including astrobiological aspects and can support the modeling of the atmosphere/surface interaction by showing the influence on the water inventory of the upper most layer of the Martian surface.

  10. Ground-water resources and simulated effects of withdrawals in the East Shore area of Great Salt Lake, Utah

    Science.gov (United States)

    Clark, David W.; Appel, Cynthia L.; Lambert, Patrick M.; Puryear, Robert L.

    1990-01-01

    The ground-water resources in the East Shore area of Great Salt Lake, Utah, were studied to better define the ground-water system; to document changes in ground-water levels, quality, and storage; and to simulate effects of an increase in ground-water withdrawals. The East Shore aquifer system is in basin-fill deposits, and is primarily a confined system with unconfined parts near the mountain front.Recharge to and discharge from the East Shore aquifer system were estimated to average about 160,000 acre-feet per year during 1969-84, with minor amounts of water being removed from storage during that period.  Major sources of ground-water recharge are seepage from surface water in natural channels and irrigation canals, and subsurface inflow from consolidated rock to the basin-fill deposits. Discharge of ground water is primarily to wells, water courses, springs, and as diffuse seepage to Great Salt Lake. Average annual surface-water inflow to the study area was estimated to be 860,000 acre-feet for the period 1969-84. Annual withdrawal of ground water for municipal and industrial use increased from about 10,000 acre-feet in 1960 to more than 30,000 acre-feet in 1980 to supply a population that increased from 175,000 in 1960 to 290,000 in 1980.Long-term trends of ground-water levels indicate a steady decline at most observation wells since 1952, despite near normal or increased precipitation since the late 1960's.  Water levels declined as much as 50 feet near the principal pumping center in the east-central part of the study area. They declined as much as 35 feet more than five miles from the pumping center.  The increase in withdrawals and subsequent water-level declines have caused about 700 wells within 30 square miles to cease flowing since 1954.A numerical model of the East Shore aquifer system in the Weber Delta area was constructed and calibrated using water-level data and changes in ground-water withdrawals for 1955-85. Predictive simulations were made

  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. 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

  13. Simulation of non-Newtonian oil-water core annular flow through return bends

    Science.gov (United States)

    Jiang, Fan; Wang, Ke; Skote, Martin; Wong, Teck Neng; Duan, Fei

    2017-07-01

    The volume of fluid (VOF) model is used together with the continuum surface force (CSF) model to numerically simulate the non-Newtonian oil-water core annular flow across return bends. A comprehensive study is conducted to generate the profiles of pressure, velocity, volume fraction and wall shear stress for different oil properties, flow directions, and bend geometries. It is revealed that the oil core may adhere to the bend wall under certain operating conditions. Through the analysis of the total pressure gradient and fouling angle, suitable bend geometric parameters are identified for avoiding the risk of fouling.

  14. Surface wave effects on water temperature in the Baltic Sea: simulations with the coupled NEMO-WAM model

    Science.gov (United States)

    Alari, Victor; Staneva, Joanna; Breivik, Øyvind; Bidlot, Jean-Raymond; Mogensen, Kristian; Janssen, Peter

    2016-08-01

    Coupled circulation (NEMO) and wave model (WAM) system was used to study the effects of surface ocean waves on water temperature distribution and heat exchange at regional scale (the Baltic Sea). Four scenarios—including Stokes-Coriolis force, sea-state dependent energy flux (additional turbulent kinetic energy due to breaking waves), sea-state dependent momentum flux and the combination these forcings—were simulated to test the impact of different terms on simulated temperature distribution. The scenario simulations were compared to a control simulation, which included a constant wave-breaking coefficient, but otherwise was without any wave effects. The results indicate a pronounced effect of waves on surface temperature, on the distribution of vertical temperature and on upwelling's. Overall, when all three wave effects were accounted for, did the estimates of temperature improve compared to control simulation. During the summer, the wave-induced water temperature changes were up to 1 °C. In northern parts of the Baltic Sea, a warming of the surface layer occurs in the wave included simulations in summer months. This in turn reduces the cold bias between simulated and measured data, e.g. the control simulation was too cold compared to measurements. The warming is related to sea-state dependent energy flux. This implies that a spatio-temporally varying wave-breaking coefficient is necessary, because it depends on actual sea state. Wave-induced cooling is mostly observed in near-coastal areas and is the result of intensified upwelling in the scenario, when Stokes-Coriolis forcing is accounted for. Accounting for sea-state dependent momentum flux results in modified heat exchange at the water-air boundary which consequently leads to warming of surface water compared to control simulation.

  15. 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.

  16. Molecular dynamics simulations of a silver atom in water: evidence for a dipolar excitonic state.

    Science.gov (United States)

    Spezia, Riccardo; Nicolas, Cédric; Boutin, Anne; Vuilleumier, Rodolphe

    2003-11-14

    The properties of a silver atom in bulk water were studied for the first time by molecular dynamics simulations using two complementary mixed quantum-classical approaches. The first one consists of treating by quantum mechanics one electron only, which interacts with a classical silver cation and solvent through one-electron pseudopotentials. The second one is Car-Parrinello molecular dynamics that treats all the valence electrons quantum-mechanically. Very good agreement is obtained between these two methods, and the calculated absorption spectrum of the solvated silver atom agrees very well with experimental data. Both simulations reveal that the silver atom is in the critical region for the appearance of a dipolar excitonic state and exhibits a dipole moment of approximately 2 D with large fluctuations of +/-1 D. The structure of the solvation shell is also analyzed.

  17. Geometric isotope effects on small chloride ion water clusters with path integral molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qi [Department of Chemistry, Tsukuba University, 1-1-1 Tennodai, Tsukuba 305-8571 (Japan); Suzuki, Kimichi [Research Institute for Nanosystem, National Institute of Advanced Industrial Science and Technology, Chuo-2, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan); Nagashima, Umpei, E-mail: u.nagashima@aist.go.jp [Department of Chemistry, Tsukuba University, 1-1-1 Tennodai, Tsukuba 305-8571 (Japan); Research Institute for Nanosystem, National Institute of Advanced Industrial Science and Technology, Chuo-2, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan); Tachikawa, Masanori [Quantum Chemistry Division, Graduate School of Science, Yokohama-City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027 (Japan); Yan, Shiwei [College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China)

    2013-11-29

    Highlights: • PIMD simulations with PM6-DH+ potential are carried out for Cl{sup −}(H{sub 2}O){sub n} clusters. • The geometric isotope effects on the rearrangement of single and multi shell structures are presented. • The competition of intramolecular and intermolecular nuclear quantum effects on the cluster structures is shown. • The correlations between r(Cl…O) and other vibration motions are discussed. - Abstract: The geometric isotope effects on the structures of hydrated chloride ionic hydrogen bonded clusters are explored by carrying out path integral molecular dynamics simulations. First, an outer shell coordinate is selected to display the rearrangement of single and multi hydration shell cluster structures. Next, to show the competition of intramolecular and intermolecular nuclear quantum effects, the intramolecular OH{sup ∗} stretching and intermolecular ion–water wagging motions are studied for single and multi shell structures, respectively. The results indicate that the intermolecular nuclear quantum effects stabilize the ionic hydrogen bonds in single shell structures, while they are destabilized through the competition with intramolecular nuclear quantum effects in multi shell structures. In addition, the correlations between ion–water stretching motion and other cluster vibrational coordinates are discussed. The results indicate that the intermolecular nuclear quantum effects on the cluster structures are strongly related to the cooperation of the water–water hydrogen bond interactions.

  18. 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.

  19. Hydrophobic-induced Surface Reorganization: Molecular Dynamics Simulations of Water Nanodroplet on Perfluorocarbon Self-Assembled Monolayers

    OpenAIRE

    Park, Sung Hyun; Carignano, Marcelo A.; Nap, Rikkert J.; Szleifer, Igal

    2010-01-01

    We carried out molecular dynamics simulations of water droplets on self-assembled monolayers of perfluorocarbon molecules. The interactions between the water droplet and the hydrophobic fluorocarbon surface were studied by systematically changing the molecular surface coverage and the mobility of the tethered head groups of the surface chain molecules. The microscopic contact angles were determined for different fluorocarbon surface densities. The contact angle at a nanometer length scale doe...

  20. OpenSimulator Interoperability with DRDC Simulation Tools: Compatibility Study

    Science.gov (United States)

    2014-09-01

    Cinema 4D, 3D Studio Max, Cheetah3D, Modo, Lightwave and Blender. Intergraph’s SmartMarine 3D and SmartPlant 3D ship and plant design software...modeling and animation software, 3D Studio Max (3DS Max) is a ubiquitous and common application for the development of 3D assets for gaming and simulation...to COLLADA using SketchUp The 3D modeling and animation software, SketchUp (owned by Google between 2006 and 2012, now by Trimble Navigation) is

  1. 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.

  2. CFD modeling and simulation of a hydropower system in generating clean electricity from water flow

    National Research Council Canada - National Science Library

    Akinyemi, Oladapo S; Liu, Yucheng

    2015-01-01

    ...) modeling and simulation. Performance of paddle wheels in producing hydropower out of running water under different speeds was evaluated, and effects of side and bottom fins and paddle wheel shape on power generation were...

  3. Simulating a thermal water quality trading market for education and model development.

    Science.gov (United States)

    Bier, Asmeret

    2010-12-01

    Thermal water quality trading is an emerging policy tool that allows thermal polluters to comply with effluent restrictions by paying landowners to plant shade trees. A simulation game was created to help participants understand the structure, dynamics, benefits, and drawbacks of thermal water quality trading markets. Simulation participants negotiate to make trades, and their decisions are entered into a system dynamics model that simulates tree growth and water temperature. A debriefing session allows the participants to discuss outcomes and strategies. The exercise has been performed twice and has proven to be a useful teaching tool. These simulations provided valuable insight into decision-making strategies in thermal water quality trading markets, suggesting decision rules that the researchers used for subsequent model development. Copyright © 2010 Elsevier Ltd. All rights reserved.

  4. 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.

  5. Analyzing the Molecular Kinetics of Water Spreading on Hydrophobic Surfaces via Molecular Dynamics Simulation

    National Research Council Canada - National Science Library

    Lei Zhao; Jiangtao Cheng

    2017-01-01

    (ProQuest: ... denotes formulae and/or non-USASCII text omitted; see image) In this paper, we report molecular kinetic analyses of water spreading on hydrophobic surfaces via molecular dynamics simulation...

  6. 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)

  7. Analytical approximation and numerical simulations for periodic travelling water waves

    Science.gov (United States)

    Kalimeris, Konstantinos

    2017-12-01

    We present recent analytical and numerical results for two-dimensional periodic travelling water waves with constant vorticity. The analytical approach is based on novel asymptotic expansions. We obtain numerical results in two different ways: the first is based on the solution of a constrained optimization problem, and the second is realized as a numerical continuation algorithm. Both methods are applied on some examples of non-constant vorticity. This article is part of the theme issue 'Nonlinear water waves'.

  8. 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.

  9. 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.

  10. Hydrophobic duck feathers and their simulation on textile substrates for water repellent treatment.

    Science.gov (United States)

    Liu, Yuyang; Chen, Xianqiong; Xin, J H

    2008-12-01

    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.

  11. Molecular dynamics simulations of trihalomethanes removal from water using boron nitride nanosheets.

    Science.gov (United States)

    Azamat, Jafar; Khataee, Alireza; Joo, Sang Woo

    2016-04-01

    Molecular dynamics simulations were performed to investigate the separation of trihalomethanes (THMs) from water using boron nitride nanosheets (BNNSs). The studied systems included THM molecules and a functionalized BNNS membrane immersed in an aqueous solution. An external pressure was applied to the z axis of the systems. Two functionalized BNNSs with large fluorinated-hydrogenated pore (F-H-pores) and small hydrogen-hydroxyl pore (H-OH-pores) were used. The pores of the BNNS membrane were obtained by passivating each nitrogen and boron atoms at the pore edges with fluorine and hydrogen atoms in the large pore or with hydroxyl and hydrogen atoms in the small pore. The results show that the BNNS with a small functionalized pore was impermeable to THM molecules, in contrast to the BNNS with a large functionalized pore. Using these membranes, water contaminants can be removed at lower cost.

  12. 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.

  13. Computer Simulation Studies of CTG Triplet Repeat Sequences

    Science.gov (United States)

    Rasaiah, Jayendran. C.; Lynch, Joshua

    1998-03-01

    Long segments of CTG trinucleotide repeats in human DNA are correlated with a class of neurological diseases (myotonic dystrophy, fragile-X syndrome, and Kenndy's disease). These diseases are characterized by genetic anticipation and are thought to arise from replication errors caused by unusual conformations of CTG repeat segments. We have studied the properties of a single short segment of double starnded DNA with CTG repeats in 0.5 M sodium chloride solution with molecular dynamics simulations. The simulations are carried out in the micro canonical ensemble using an all-atom force field with CHARMM parameters. The TIPS3 water model is used to simulate a molecular solvent. Electrostatic interactions are calculated by Ewald summation and the equations of motion integrated using a Verlet algorithm in conjunction with SHAKE constrained dynamics to maintain bond lengths. The simulation of CTG repeat sequence is compared with a control system containing CAG triplet repeats to determine possible differencesin the conformation and elasticity of the two sequences.

  14. 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.

  15. Characterization of titanium dioxide nanoparticle removal in simulated drinking water treatment processes.

    Science.gov (United States)

    Chang, Hui-Hsien; Cheng, Tsun-Jen; Huang, Chin-Pao; Wang, Gen-Shuh

    2017-12-01

    This study characterized the fate of nano-TiO2 in both powder (TiO2(P)) and suspension (TiO2(S)) forms in simulated drinking water treatments. Nano-TiO2 solutions of 0.1, 1.0, and 10mg/L were prepared with deionized water and raw waters from the Changxing and Fengshan Water Treatment Plants in Taiwan to assess the effects of water matrices on nano-TiO2 behavior during water treatment. After the laboratory simulated water treatment, including pre-chlorination, coagulation, sedimentation, filtration and post-chlorination, the residual Ti concentration ranged from 2.7 to 47.4% in different treatment units and overall removal efficiency was between 52.6% and 97.3% in all cases except for nano-TiO2 at concentration of 0.1mg/L. Overall removal efficiency for the TiO2 at 10mg/L concentration ranged from 9.3 to 53.5%. Sedimentation (after coagulation) and filtration were the most important processes for removing nano-TiO2 due in part to particle agglomeration, which was confirmed by size distribution and zeta potential measurements. The size of nano-TiO2 increased from 21-36nm to 4490nm in the supernatant after sedimentation, and subsequent filtration treatment further removed all agglomerates at size >1μm. Zeta potential revealed interactions between nano-TiO2 particles and anionic functional groups or negatively-charged natural organic matters, leading to a decrease in surface charge. After sedimentation and filtration, the zeta potential of supernatants and filtrates were close to zero, meaning the absence of nanoparticles. The highest Ti removal after sedimentation occurred in Fengshan raw water due to higher ionic strength and coagulant dosage applied. On the other hand, the surfactant additives in TiO2(S) promoted dispersion of nano-TiO2 particles, which in turn led to lower particle removal. SEM images of nanoparticles after chlorination or coagulation revealed the coverage of nano-TiO2 particles by viscous substances and formation of colloidal structures

  16. Effects of Subsurface Sampling & Processing on Martian Simulant Containing Varying Quantities of Water

    Science.gov (United States)

    Menard, J.; Sangillo, J.; Savain, A.; McNamara, K. M.

    2004-01-01

    The presence of water-ice in the Martian subsurface is a subject of much debate and excited speculation. Recent results from the gammaray spectrometer (GRS) on board NASA's Mars Odyssey spacecraft indicate the presence of large amounts of hydrogen in regions of predicted ice stability. The combination of chemistry, low gravitational field (3.71 m/s(exp 2)) and a surface pressure of about 6.36 mbar at the mean radius, place limits on the stability of H2O on the surface, however, results from the GRS indicate that the hydrogen rich phase may be present at a depth as shallow as one meter in some locations on Mars. The potential for water on Mars leads directly to the speculation that life may once have existed there, since liquid water is the unifying factor for environments known to support life on Earth. Lubricant-free drilling has been considered as a means of obtaining water-rich subsurface samples on Mars, and two recent white papers sponsored by the Mars Program have attempted to identify the problems associated with this goal. The two major issues identified were: the engineering challenges of drilling into a water-soil mixture where phase changes may occur; and the potential to compromise the integrity of in-situ scientific analysis due to contamination, volatilization, and mineralogical or chemical changes as a result of processing. This study is a first attempt to simulate lubricantfree drilling into JSC Mars-1 simulant containing up to 50% water by weight. The goal is to address the following: 1) Does sample processing cause reactions or changes in mineralogy which will compromise the interpretation of scientific measurements conducted on the surface? 2) Does the presence of water-ice in the sample complicate (1)? 3) Do lubricant-free drilling and processing leave trace contaminants which may compromise our understanding of sample composition? 4) How does the torque/power required for drilling change as a function of water content and does this lead to

  17. Effects of optimized root water uptake parameterization schemes on water and heat flux simulation in a maize agroecosystem

    Science.gov (United States)

    Cai, Fu; Ming, Huiqing; Mi, Na; Xie, Yanbing; Zhang, Yushu; Li, Rongping

    2017-04-01

    As root water uptake (RWU) is an important link in the water and heat exchange between plants and ambient air, improving its parameterization is key to enhancing the performance of land surface model simulations. Although different types of RWU functions have been adopted in land surface models, there is no evidence as to which scheme most applicable to maize farmland ecosystems. Based on the 2007-09 data collected at the farmland ecosystem field station in Jinzhou, the RWU function in the Common Land Model (CoLM) was optimized with scheme options in light of factors determining whether roots absorb water from a certain soil layer ( W x ) and whether the baseline cumulative root efficiency required for maximum plant transpiration ( W c ) is reached. The sensibility of the parameters of the optimization scheme was investigated, and then the effects of the optimized RWU function on water and heat flux simulation were evaluated. The results indicate that the model simulation was not sensitive to W x but was significantly impacted by W c . With the original model, soil humidity was somewhat underestimated for precipitation-free days; soil temperature was simulated with obvious interannual and seasonal differences and remarkable underestimations for the maize late-growth stage; and sensible and latent heat fluxes were overestimated and underestimated, respectively, for years with relatively less precipitation, and both were simulated with high accuracy for years with relatively more precipitation. The optimized RWU process resulted in a significant improvement of CoLM's performance in simulating soil humidity, temperature, sensible heat, and latent heat, for dry years. In conclusion, the optimized RWU scheme available for the CoLM model is applicable to the simulation of water and heat flux for maize farmland ecosystems in arid areas.

  18. 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.

  19. Alkaline Water and Longevity: A Murine Study

    OpenAIRE

    Massimiliano Magro; Livio Corain; Silvia Ferro; Davide Baratella; Emanuela Bonaiuto; Milo Terzo; Vittorino Corraducci; Luigi Salmaso; Fabio Vianello

    2016-01-01

    The biological effect of alkaline water consumption is object of controversy. The present paper presents a 3-year survival study on a population of 150 mice, and the data were analyzed with accelerated failure time (AFT) model. Starting from the second year of life, nonparametric survival plots suggest that mice watered with alkaline water showed a better survival than control mice. Interestingly, statistical analysis revealed that alkaline water provides higher longevity in terms of “deceler...

  20. Molecular dynamics simulations of proteins: can the explicit water model be varied?

    Energy Technology Data Exchange (ETDEWEB)

    Nutt, David [University of Heidelberg; Smith, Jeremy C [ORNL

    2007-03-01

    In molecular mechanics simulations of biological systems, the solvation water is typically represented by a default water model which is an integral part of the force field. Indeed, protein nonbonding parameters are chosen in order to obtain a balance between water-water and protein-water interactions and hence a reliable description of protein solvation. However, less attention has been paid to the question of whether the water model provides a reliable description of the water properties under the chosen simulation conditions, for which more accurate water models often exist. Here we consider the case of the CHARMM protein force field, which was parameterized for use with a modified TIP3P model. Using quantum mechanical and molecular mechanical calculations, we investigate whether the CHARMM force field can be used with other water models: TIP4P and TIP5P. Solvation properties of N-methylacetamide (NMA), other small solute molecules, and a small protein are examined. The results indicate differences in binding energies and minimum energy geometries, especially for TIP5P, but the overall description of solvation is found to be similar for all models tested. The results provide an indication that molecular mechanics simulations with the CHARMM force field can be performed with water models other than TIP3P, thus enabling an improved description of the solvent water properties.

  1. Molecular Dynamics Simulations of Proteins: Can the Explicit Water Model Be Varied?

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Jeremy C [ORNL; Nutt, David [University of Heidelberg

    2007-01-01

    In molecular mechanics simulations of biological systems, the solvation water is typically represented by a default water model which is an integral part of the force field. Indeed, protein nonbonding parameters are chosen in order to obtain a balance between water-water and protein-water interactions and hence a reliable description of protein solvation. However, less attention has been paid to the question of whether the water model provides a reliable description of the water properties under the chosen simulation conditions, for which more accurate water models often exist. Here we consider the case of the CHARMM protein force field, which was parameterized for use with a modified TIP3P model. Using quantum mechanical and molecular mechanical calculations, we investigate whether the CHARMM force field can be used with other water models: TIP4P and TIP5P. Solvation properties of N-methylacetamide (NMA), other small solute molecules, and a small protein are examined. The results indicate differences in binding energies and minimum energy geometries, especially for TIP5P, but the overall description of solvation is found to be similar for all models tested. The results provide an indication that molecular mechanics simulations with the CHARMM force field can be performed with water models other than TIP3P, thus enabling an improved description of the solvent water properties.

  2. Molecular Dynamics Simulations of the Oil-Detachment from the Hydroxylated Silica Surface: Effects of Surfactants, Electrostatic Interactions, and Water Flows on the Water Molecular Channel Formation.

    Science.gov (United States)

    Tang, Jian; Qu, Zhou; Luo, Jianhui; He, Lanyan; Wang, Pingmei; Zhang, Ping; Tang, Xianqiong; Pei, Yong; Ding, Bin; Peng, Baoliang; Huang, Yunqing

    2018-02-15

    The detachment process of an oil molecular layer situated above a horizontal substrate was often described by a three-stage process. In this mechanism, the penetration and diffusion of water molecules between the oil phase and the substrate was proposed to be a crucial step to aid in removal of oil layer/drops from substrate. In this work, the detachment process of a two-dimensional alkane molecule layer from a silica surface in aqueous surfactant solutions is studied by means of molecular dynamics (MD) simulations. By tuning the polarity of model silica surfaces, as well as considering the different types of surfactant molecules and the water flow effects, more details about the formation of water molecular channel and the expansion processes are elucidated. It is found that for both ionic and nonionic type surfactant solutions, the perturbation of surfactant molecules on the two-dimensional oil molecule layer facilitates the injection and diffusion of water molecules between the oil layer and silica substrate. However, the water channel formation and expansion speed is strongly affected by the substrate polarity and properties of surfactant molecules. First, only for the silica surface with relative stronger polarity, the formation of water molecular channel is observed. Second, the expansion speed of the water molecular channel upon the ionic surfactant (dodecyl trimethylammonium bromide, DTAB and sodium dodecyl benzenesulfonate, SDBS) flooding is more rapidly than the nonionic surfactant system (octylphenol polyoxyethylene(10) ether, OP-10). Third, the water flow speed may also affect the injection and diffusion of water molecules. These simulation results indicate that the water molecular channel formation process is affected by multiple factors. The synergistic effects of perturbation of surfactant molecules and the electrostatic interactions between silica substrate and water molecules are two key factors aiding in the injection and diffusion of water

  3. Phosphate reclaim from simulated and real eutrophic water by magnetic biochar derived from water hyacinth.

    Science.gov (United States)

    Cai, Ru; Wang, Xin; Ji, Xionghui; Peng, Bo; Tan, Changyin; Huang, Xi

    2017-02-01

    In this study, the efficiency and mechanism of aqueous phosphate removal by magnetic biochar derived from water hyacinth (MW) were investigated. The MW pyrolyzed at 450 °C (MW450) exhibited the most prominent phosphate sorption capacity, which was estimated to be 5.07 mg g-1 based on Langmuir-Freundlich model. At an initial phosphorus (P) concentration of 1 mg l-1, >90% P removal was achieved over pH 3-9, but the efficiency decreased sharply at pH > 10. The presence of arsenate and carbonate could remarkably decrease P sorption, while the inhibition effects of antimonate, nitrate and sulfate were less significant. In further application of MW450 to reclaim P from eutrophic lake waters (0.71-0.94 mg l-1 total P), ∼96% P removals were attained in the batch studies and the effluent P concentrations in the column tests were reduced to hyacinth could provide a promising alternative for P removal from most eutrophic waters. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. 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

  5. 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...

  6. 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.

  7. An experimental study on recovering heat from domestic drain water

    Science.gov (United States)

    Ramadan, Mohamad; Al Shaer, Ali; Haddad, Ahmad; Khaled, Mahmoud

    2016-07-01

    This paper concerns an experimental study on a system of heat recovery applied to domestic drain water pipes. The concept suggested consists of using the heat still present in the drain water as a preheating/heating source to the cold water supply of the building. To proceed, an appropriate experimental setup is developed and a coil heat exchanger is used as heat transfer device in the recovery system. Several scenarios are simulated and corresponding parameters are recorded and analyzed. It was shown that the suggested recovery concept can considerably preheat the cold water supply and then decrease the energy consumption. Particularly, up to 8.6 kW of heat were recovered when the cold water supply is initially at 3 °C.

  8. Water interaction with laboratory-simulated fossil fuel combustion particles.

    Science.gov (United States)

    Popovicheva, O B; Kireeva, E D; Shonija, N K; Khokhlova, T D

    2009-10-01

    To clarify the impact of fossil fuel combustion particles' composition on their capacity to take up water, we apply a laboratory approach in which the method of deposition of compounds, identified in the particulate coverage of diesel and aircraft engine soot particles, is developed. It is found that near-monolayer organic/inorganic coverage of the soot particles may be represented by three groups of fossil fuel combustion-derived particulate matter with respect to their Hansh's coefficients related to hydrophilic properties. Water adsorption measurements show that nonpolar organics (aliphatic and aromatic hydrocarbons) lead to hydrophobization of the soot surface. Acidic properties of organic compounds such as those of oxidized PAHs, ethers, ketones, aromatic, and aliphatic acids are related to higher water uptake, whereas inorganic acids and ionic compounds such as salts of organic acids are shown to be responsible for soot hydrophilization. This finding allows us to quantify the role of the chemical identity of soot surface compounds in water uptake and the water interaction with fossil fuel combustion particles in the humid atmosphere.

  9. Short-range precipitation forecasts using assimilation of simulated satellite water vapor profiles and column cloud liquid water amounts

    Science.gov (United States)

    Wu, Xiaohua; Diak, George R.; Hayden, Cristopher M.; Young, John A.

    1995-01-01

    These observing system simulation experiments investigate the assimilation of satellite-observed water vapor and cloud liquid water data in the initialization of a limited-area primitive equations model with the goal of improving short-range precipitation forecasts. The assimilation procedure presented includes two aspects: specification of an initial cloud liquid water vertical distribution and diabatic initialization. The satellite data is simulated for the next generation of polar-orbiting satellite instruments, the Advanced Microwave Sounding Unit (AMSU) and the High-Resolution Infrared Sounder (HIRS), which are scheduled to be launched on the NOAA-K satellite in the mid-1990s. Based on cloud-top height and total column cloud liquid water amounts simulated for satellite data a diagnostic method is used to specify an initial cloud water vertical distribution and to modify the initial moisture distribution in cloudy areas. Using a diabatic initialization procedure, the associated latent heating profiles are directly assimilated into the numerical model. The initial heating is estimated by time averaging the latent heat release from convective and large-scale condensation during the early forecast stage after insertion of satellite-observed temperature, water vapor, and cloud water formation. The assimilation of satellite-observed moisture and cloud water, together withy three-mode diabatic initialization, significantly alleviates the model precipitation spinup problem, especially in the first 3 h of the forecast. Experimental forecasts indicate that the impact of satellite-observed temperature and water vapor profiles and cloud water alone in the initialization procedure shortens the spinup time for precipitation rates by 1-2 h and for regeneration of the areal coverage by 3 h. The diabatic initialization further reduces the precipitation spinup time (compared to adiabatic initialization) by 1 h.

  10. Simulation of groundwater and surface-water resources and evaluation of water-management alternatives for the Chamokane Creek basin, Stevens County, Washington

    Science.gov (United States)

    Ely, D. Matthew; Kahle, Sue C.

    2012-01-01

    A three-dimensional, transient numerical model of groundwater and surface-water flow was constructed for Chamokane Creek basin to better understand the groundwater-flow system and its relation to surface-water resources. The model described in this report can be used as a tool by water-management agencies and other stakeholders to quantitatively evaluate the effects of potential increases in groundwater pumping on groundwater and surface-water resources in the basin. The Chamokane Creek model was constructed using the U.S. Geological Survey (USGS) integrated model, GSFLOW. GSFLOW was developed to simulate coupled groundwater and surface-water resources. The model uses 1,000-foot grid cells that subdivide the model domain by 102 rows and 106 columns. Six hydrogeologic units in the model are represented using eight model layers. Daily precipitation and temperature were spatially distributed and subsequent groundwater recharge was computed within GSFLOW. Streamflows in Chamokane Creek and its major tributaries are simulated in the model by routing streamflow within a stream network that is coupled to the groundwater-flow system. Groundwater pumpage and surface-water diversions and returns specified in the model were derived from monthly and annual pumpage values previously estimated from another component of this study and new data reported by study partners. The model simulation period is water years 1980-2010 (October 1, 1979, to September 30, 2010), but the model was calibrated to the transient conditions for water years 1999-2010 (October 1, 1998, to September 30, 2010). Calibration was completed by using traditional trial-and-error methods and automated parameter-estimation techniques. The model adequately reproduces the measured time-series groundwater levels and daily streamflows. At well observation points, the mean difference between simulated and measured hydraulic heads is 7 feet with a root-mean-square error divided by the total difference in water levels

  11. 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

  12. Analytical approximation and numerical simulations for periodic travelling water waves.

    Science.gov (United States)

    Kalimeris, Konstantinos

    2018-01-28

    We present recent analytical and numerical results for two-dimensional periodic travelling water waves with constant vorticity. The analytical approach is based on novel asymptotic expansions. We obtain numerical results in two different ways: the first is based on the solution of a constrained optimization problem, and the second is realized as a numerical continuation algorithm. Both methods are applied on some examples of non-constant vorticity.This article is part of the theme issue 'Nonlinear water waves'. © 2017 The Author(s).

  13. Numerical simulation of water evaporation inside vertical circular tubes

    Science.gov (United States)

    Ocłoń, Paweł; Nowak, Marzena; Majewski, Karol

    2013-10-01

    In this paper the results of simplified numerical analysis of water evaporation in vertical circular tubes are presented. The heat transfer in fluid domain (water or wet steam) and solid domain (tube wall) is analyzed. For the fluid domain the temperature field is calculated solving energy equation using the Control Volume Method and for the solid domain using the Finite Element Method. The heat transfer between fluid and solid domains is conjugated using the value of heat transfer coefficient from evaporating liquid to the tube wall. It is determined using the analytical Steiner-Taborek correlation. The pressure changes in fluid are computed using Friedel model.

  14. Mathematical simulation of sediment and contaminant transport in surface waters. Annual report, October 1977 - September 1978

    Energy Technology Data Exchange (ETDEWEB)

    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. (ERB)

  15. Microbial Community Dynamics of a Simulated Chloraminated Drinking Water Distribution System Subjected to Episodes of Nitrification

    Science.gov (United States)

    Bacterial populations were examined in a simulated chloraminated drinking water distribution system (i.e. loop). The loop (BW-AB-I) received chlorinated municipal water (BW-C) amended with ammonia (2mg/L monochloramine). After six years of continuous operation, the operational ...

  16. MODFLOW-OWHM for Simulation and Analysis of the Water Cycle across the United States

    Science.gov (United States)

    Alattar, M.; Troy, T. J.; Russo, T. A.

    2016-12-01

    Water resource availability in groundwater and surface water are affected by many factors such as crops irrigation demands, the population, land use, and climate variables (precipitation and evaporation). MODFLOW-OWHM is used to simulate and analyze water fluxes across the United States from 1950 to 2010, incorporating surface water flow packages, the Farm Process, and groundwater flux and storage. It accounts for irrigation application by crop type, thereby providing simulations that can more accurately represent actual hydrologic processes across the US as they are affected by humans. This work focuses on developing the model across the US and its calibration. Through a series of historical simulations across the continental US, we can estimate the impact of irrigation on surface and subsurface processes, how climate variability can affect recharge and water table depths, and how lowering groundwater tables can alter surface processes such as evapotranspiration and baseflow contributions to streams. We demonstrate how crop choices can impact the water withdrawn through groundwater pumping as well as surface water withdrawals. These simulations have the potential to inform water resources management at a range of spatial scales.

  17. 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 ...

  18. Simulation of boiling water reactor one-pump trip transient by SIMULATE-3K

    Energy Technology Data Exchange (ETDEWEB)

    Nozaki, Kenichiro, E-mail: nozaki-kenichirou@tepsys.co.jp [Tepco Systems Corporation, 2-37-28 Eitai, Koto-ku, Tokyo 135-0034 (Japan); Hotta, Akithoshi, E-mail: hotta-akitoshi1@tepsys.co.jp [Tepco Systems Corporation, 2-37-28 Eitai, Koto-ku, Tokyo 135-0034 (Japan); Kosaka, Sinya, E-mail: kosaka-shinya@tepsys.co.jp [Tepco Systems Corporation, 2-37-28 Eitai, Koto-ku, Tokyo 135-0034 (Japan); Suehiro, Shoichi, E-mail: suehiro-shouichi@tepsys.co.jp [Tepco Systems Corporation, 2-37-28 Eitai, Koto-ku, Tokyo 135-0034 (Japan); Fujiwara, Daisuke, E-mail: fujiwara-daisuke@tepsys.co.jp [Tepco Systems Corporation, 2-37-28 Eitai, Koto-ku, Tokyo 135-0034 (Japan); Mizokami, Sinya, E-mail: mizokami.shinya@tepco.co.jp [Tokyo Electric Power Company, 1-3 Uchisaiwai-cho, 1-Chome, Chiyoda-ku, Tokyo 100-8560 (Japan)

    2013-11-15

    To validate models relevant to the transitional in-core 3-D power behavior, the 3-D core kinetics code SIMULATE-3K was applied to an analysis of one-pump trip test performed in a BWR-5 plant which includes large distortion of the power distribution due to the local insertion of control rods. The core boundary conditions required by SIMULATE-3K were calculated by the plant system analysis code RETRAN-3D. It was found that the transitional APRM signal and LPRM signals calculated by SIMULATE-3K agreed well with the measured data. The results showed that the transitional in-core 3-D power behavior can be appropriately predicted by SIMULATE-3K.

  19. Simulation of boiling water reactor one-pump trip transient by SIMULATE-3K

    Energy Technology Data Exchange (ETDEWEB)

    Nozaki, K.; Hotta, A.; Kosaka, S.; Suehiro, S.; Fujiwara, D., E-mail: nozaki-kenichirou@tepsys.co.jp, E-mail: hotta-akitoshi1@tepsys.co.jp, E-mail: kosaka-shinya@tepsys.co.jp, E-mail: suehiro-shouichi@tepsys.co.jp, E-mail: fujiwara-daisuke@tepsys.co.jp [TEPCO Systems, Tokyo (Japan); MIzokami, S., E-mail: mizokami.shinya@tepco.co.jp [Tokyo Electric Power Company, Tokyo (Japan)

    2011-07-01

    To validate models relevant to the transitional in-core 3-D power behavior, the 3-D core kinetics code SIMULATE-3K was applied to an analysis of one-pump trip test performed in a BWR-5 plant which includes large distortion of the power distribution due to the local insertion of control rods. The core boundary conditions required by SIMULATE-3K were calculated by the plant system analysis code RETRAN-3D. It was found that the transitional APRM signal and LPRM signals calculated by SIMULATE-3K agreed well with the measured data. The results showed that the transitional in-core 3-D power behavior can be appropriately predicted by SIMULATE-3K. (author)

  20. Simulation of water quality parameters from the treatment of ...

    African Journals Online (AJOL)

    Michael Horsfall

    suitable model for analyzing the quality parameters in WSP and can be used for design of new stabilization ponds or for improving the effluent quality of existing ponds. @JASEM. Today, pollution of water resources with wastewater is one of the main environment impacts of the wastewater. The human activities have ...

  1. Stochastic simulation of acoustic communication in turbulent shallow water

    DEFF Research Database (Denmark)

    Bjerrum-Niese, Christian; Lutzen, R.

    2000-01-01

    This paper presents a stochastic model of a turbulent shallow-water acoustic channel. The model utilizes a Monte Carlo realization method to predict signal transmission conditions. The main output from the model are statistical descriptions of the signal-to-multipath ratio (SMR) and signal fading...

  2. Simulation of heavy metal contamination of fresh water bodies: Toxic ...

    African Journals Online (AJOL)

    The results show that ZnSO4 was significantly toxic to the fish only after 96 hours. Co-contamination of the water with both toxicants was found to ameliorate the toxic effects of ZnSO4 significantly. The metal chelating property of glyphosate may be responsible for the observed attenuation of toxicity in the fish in Group ...

  3. simulation of vertical water flow through vadose zone

    African Journals Online (AJOL)

    HOD

    hydrological cycle because it holds only a minute fraction of the earth's fresh water as investigated by. [1]. Vadose ... within this zone has applications in fields of hydrology, agriculture and soil engineering [2] and is critical to ... The vegetation cover is Sudan Savannah type, characterized by scattered short trees, shrubs and.

  4. Simulation of global ocean acidification and chemical habitats of shallow- and cold-water coral reefs

    Directory of Open Access Journals (Sweden)

    Mei-Di Zheng

    2014-12-01

    Full Text Available Using the UVic Earth System Model, this study simulated the change of seawater chemistry and analyzed the chemical habitat surrounding shallow- and cold-water coral reefs from the year 1800 to 2300 employing RCP2.6, RCP4.5, RCP6.0, and RCP8.5 scenarios. The model results showed that the global ocean will continue to absorb atmospheric CO2. Global mean surface ocean temperature will rise 1.1–2.8 K at the end of the 21st century across RCP scenarios. Meanwhile, the global mean surface ocean pH will drop 0.14–0.42 and the ocean surface mean concentration of carbonate will decrease 20%–51% across the RCP scenarios. The saturated state of sea water with respect to calcite carbonate minerals (Ω will decrease rapidly. During the pre-industrial period, 99% of the shallow-water coral reefs were surrounded by seawater with Ω > 3.5 and 87% of the deep-sea coral reefs were surrounded by seawater with aragonite supersaturation. Within the 21st century, except for the high mitigation scenario of RCP2.6, almost none shallow-water coral reefs will be surrounded by seawater with Ω > 3.5. Under the intensive emission scenario of RCP8.5, by the year 2100, the aragonite saturation horizon will rise to 308 m under the sea surface from 1138 m at the pre-industrial period, thus 73% of the cold-water coral reefs will be surrounded by seawater with aragonite undersaturation. By the year 2300, only 5% of the cold-water coral reefs will be surrounded by seawater with aragonite supersaturation.

  5. General survey and conclusions with regard to the connection of water quantity and water quality studies of surface waters

    NARCIS (Netherlands)

    Rijtema, P.E.

    1979-01-01

    Publikatie die bestaat uit twee delen: 1. General survey of the relation between water quantity and water quality; 2. Conclusions with regard to the connection of water quantity and water quality studies of surface waters

  6. 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.

  7. A water balance simulation model for teaching and learning – WaS

    OpenAIRE

    Hess, Tim M.; Counsell, Chris

    2008-01-01

    Developed by HR Wallingford and Cranfield University (with support from the UK Department for International Development), WaSim is a computer-based training package for the teaching and demonstration of issues involved in irrigation, drainage and salinity management. WaSim is a daily water balance model that simulates the soil water / salinity relationships in response to different management strategies (e.g. drainage designs and water management practices) and environmental...

  8. Calculation of Liquid Water-Hydrate-Methane Vapor Phase Equilibria from Molecular Simulations

    DEFF Research Database (Denmark)

    Jensen, Lars; Thomsen, Kaj; von Solms, Nicolas

    2010-01-01

    Monte Carlo simulation methods for determining fluid- and crystal-phase chemical potentials are used for the first time to calculate liquid water-methane hydrate-methane vapor phase equilibria from knowledge of atomistic interaction potentials alone. The water and methane molecules are modeled...... potential of the zero-occupancy hydrate system using thermodynamic integration from an Einstein crystal reference state, and (iii) thermodynamic integration to obtain the water and guest molecules' chemical potentials as a function of the hydrate occupancy. The three-phase equilibrium curve is calculated...... value at corresponding conditions. While computationally intensive, simulations such as these are essential to map the thermodynamically stable conditions for hydrate systems....

  9. Physical Properties and Hydrogen-Bonding Network of Water-Ethanol Mixtures from Molecular Dynamics Simulations.

    Science.gov (United States)

    Ghoufi, A; Artzner, F; Malfreyt, P

    2016-02-04

    While many numerical and experimental works were focused on water-ethanol mixtures at low ethanol concentration, this work reports predictions of a few physical properties (thermodynamical, interfacial, dynamical, and dielectrical properties) of water-ethanol mixture at high alcohol concentrations by means of molecular dynamics simulations. By using a standard force field a good agreement was found between experiment and molecular simulation. This was allowed us to explore the dynamics, structure, and interplay between both hydrogen-bonding networks of water and ethanol.

  10. Defluoridation study for Boise geothermal water

    Energy Technology Data Exchange (ETDEWEB)

    Rigdon, L.

    1980-06-03

    Methods of removing fluorides from water are reviewed and recommendations are made for treating geothermal water used by the Boise Geothermal Project, Boise, Idaho. The Boise geothermal water except for its high fluoride content would be high quality, suitable for primary drinking water. Fluoride ranges from about 15 to 25 mg/l in water from various wells in the Boise region where the Project plans to obtain hot water. Four techniques for removing fluorides from water have been studied extensively during the past 15 years or so. Electrodialysis and reverse osmosis are useful in reducing total dissolved solids from brackish water, but are nonspecific and are too expensive for treatment of the Boise geothermal water. Selective precipitation is a widely used technique for treating water, but would also prove expensive for the Boise geothermal water because of the relatively high solubility of fluoride salts and consequently high concentration (and cost) of precipitants required to reduce the fluorides to an acceptable level. Ion-exchange separation using activated alumina as the exchange medium appears to be the most promising technique and we recommend that some laboratory and pilot studies be conducted to establish suitability and operating boundaries.

  11. Potential of mean force of water-proton bath and molecular dynamic simulation of proteins at constant pH.

    Science.gov (United States)

    Vorobjev, Yury N

    2012-03-30

    An advanced implicit solvent model of water-proton bath for protein simulations at constant pH is presented. The implicit water-proton bath model approximates the potential of mean force of a protein in water solvent in a presence of hydrogen ions. Accurate and fast computational implementation of the implicit water-proton bath model is developed using the continuum electrostatic Poisson equation model for calculation of ionization equilibrium and the corrected MSR6 generalized Born model for calculation of the electrostatic atom-atom interactions and forces. Molecular dynamics (MD) method for protein simulation in the potential of mean force of water-proton bath is developed and tested on three proteins. The model allows to run MD simulations of proteins at constant pH, to calculate pH-dependent properties and free energies of protein conformations. The obtained results indicate that the developed implicit model of water-proton bath provides an efficient way to study thermodynamics of biomolecular systems as a function of pH, pH-dependent ionization-conformation coupling, and proton transfer events. Copyright © 2012 Wiley Periodicals, Inc.

  12. 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.

  13. Simultaneous determination of trace rare-earth elements in simulated water samples using ICP-OES with TODGA extraction/back-extraction

    National Research Council Canada - National Science Library

    FuKai Li; AiJun Gong; LiNa Qiu; WeiWei Zhang; JingRui Li; Yu Liu; YuNing Liu; HuiTing Yuan

    2017-01-01

    .... In this study, an analytical method was developed for the simultaneous determination of 16 trace REEs in simulated water samples by inductively coupled plasma optical emission spectroscopy (ICP-OES...

  14. Crevice Repassivation Potentials for Alloy 22 in Simulated Concentrated Ground Waters

    Energy Technology Data Exchange (ETDEWEB)

    Rebak, R B; Evans, K J; Ilevbare, G O

    2006-11-08

    The resistance of Alloy 22 (N06022) to localized corrosion, mainly crevice corrosion, has been extensively investigated in the last few years. However, the behavior of Alloy 22 in concentrated aqueous solutions that may simulate concentrated ground waters was not fully understood. Systematic electrochemical tests using cyclic potentiodynamic polarization as well as the Tsujikawa-Hisamatsu electrochemical method were performed to determine the crevice corrosion susceptibility of Alloy 22 in simulated concentrated water (SCW), simulated acidified water (SAW) and basic saturated water (BSW). Results show that Alloy 22 is immune to crevice corrosion in SCW and SAW but may suffer crevice corrosion initiation in BSW. Results also show that in a naturally aerated environment, the corrosion potential would never reach the critical potential for crevice corrosion initiation.

  15. 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...... and often challenge state of the art methods. Current spray simulation pipelines typically employ a combination of Lagrangian (particle) and Eulerian (volumetric) methods - the Eulerian methods being used for parts of the spray where individual droplets are not apparent. However, existing Eulerian methods...... in computer graphics are based on gas solvers that will for example exhibit hydrostatic equilibrium in certain scenarios where the air is expected to rise and the water droplets fall. To overcome this problem, we propose to simulate spray in the Eulerian domain as a two-way coupled two-continua of air...

  16. Global network of embodied water flow by systems input-output simulation

    Science.gov (United States)

    Chen, Zhanming; Chen, Guoqian; Xia, Xiaohua; Xu, Shiyun

    2012-09-01

    The global water resources network is simulated in the present work for the latest target year with statistical data available and with the most detailed data disaggregation. A top-down approach of systems inputoutput simulation is employed to track the embodied water flows associated with economic flows for the globalized economy in 2004. The numerical simulation provides a database of embodied water intensities for all economic commodities from 4928 producers, based on which the differences between direct and indirect water using efficiencies at the global scale are discussed. The direct and embodied water uses are analyzed at continental level. Besides, the commodity demand in terms of monetary expenditure and the water demand in terms of embodied water use are compared for the world as well as for three major water using regions, i.e., India, China, and the United States. Results show that food product contributes to a significant fraction for water demand, despite the value varies significantly with respect to the economic status of region.

  17. Ab initio simulations of water splitting on hematite

    Science.gov (United States)

    Seriani, Nicola

    2017-11-01

    In recent years, hematite has attracted great interest as a photocatalyst for water splitting, but many questions remain unanswered about the mechanisms and the main limiting factors. For this reason, density functional theory has been used to understand the optical, electronic and chemical properties of this material at an atomistic level. Bulk doping can be used to reduce the band gap, and to increase photoabsorption and charge mobility. Charge transport takes place through adiabatic polaron hopping. The stable (0 0 0 1) surface has a stoichiometric termination when exposed to oxygen, it becomes hydroxylated in water, and it has an oxygen-rich termination under illumination in a photoelectrochemical setup. On the oxygen-rich termination, surface states are present that might act as recombination centres for electrons and holes. On the contrary, on the hydroxylated termination surface states appear only on reaction intermediates. The intrinsic surface states disappear in the presence of an overlayer of gallium oxide. The reaction of water oxidation is assumed to proceed by four proton-coupled electron transfers and it is shown to involve a nucleophilic attack with the formation of an OOH group. Calculated overpotentials are in the range of 0.5–0.6 V. Open questions and future research directions are briefly discussed.

  18. 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.

  19. Simulated water-level responses, ground-water fluxes, and storage changes for recharge scenarios along Rillito Creek, Tucson, Arizona

    Science.gov (United States)

    Hoffmann, John P.; Leake, Stanley A.

    2005-01-01

    A local ground-water flow model is used to simulate four recharge scenarios along Rillito Creek in northern Tucson to evaluate mitigating effects on ground-water deficits and water-level declines in Tucson's Central Well Field. The local model, which derives boundary conditions from a basin-scale model, spans the 12-mile reach of Rillito Creek and extends 9 miles south into the Central Well Field. Recharge scenarios along Rillito Creek range from 5,000 to 60,000 acre-feet per year and are simulated to begin in 2005 and extend through 2225 to estimate long-term changes in ground-water level, ground-water storage, ground-water flux, and evapotranspiration. The base case for comparison of simulated water levels and flows, referred to as scenario A, uses a long-term recharge rate of 5,000 acre-feet per year to 2225. Scenario B, which increases the recharge along Rillito Creek by 9,500 acre-feet per year, has simulated water-level rises beneath Rillito Creek that range from about 53 feet to 86 feet. Water-level rises within the Central Well Field range from about 60 feet to 80 feet. More than half of these rises occur by 2050, and more than 95 percent occur by 2188. Scenario C, which increases the recharge along Rillito Creek by 16,700 acre-feet per year relative to scenario A, has simulated water-level rises beneath Rillito Creek that range from about 71 feet to 102 feet. Water-level rises within the Central Well Field range from about 80 feet to 95 feet. More than half of the rises occur by 2036, and more than 95 percent occur by 2100. Scenario D, which initially increases the recharge rate by about 55,000 acre-feet per year relative to scenario A, resulted in simulated water levels that rise to land surface along Rillito Creek. This rise in water level resulted in rejected recharge. As the water table continued to rise, the area of stream-channel surface intersected by the water table increased causing continual decline in the recharge rate until a long-term recharge

  20. 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.

  1. 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.

  2. A hydrological simulation of the water regime in two playa lakes located in southern Spain

    Science.gov (United States)

    Miguel, Rodriguez-Rodriguez; Malte, Schilling

    2014-08-01

    The subject of this paper is the detailed hydrological simulation of two playa lakes located in southern Spain from January 2011 to March 2012 on a daily basis. These playas are placed over a 400-km 2 shallow aquifer, which is exposed to an increasing stress caused by agricultural activities, mainly olive grove plantations. The objective of the paper is to elaborate a detailed numeric model that simulates the water regime of each playa lake on a daily scale. The simulation is compared to measured water level (WL) data of the playas in order to characterize the groundwater-surface interactions. The ultimate objective of this paper is to assess the environmental impact of the increasing anthropogenic water consumption within the area of research. The results of the GW-surface interaction were very consistent with previous works. One of the playa lakes is groundwater-dependent and the other one is presumably a perched playa lake. The GW discharge of the former playa (214 mm) during the research period stands in sharp contrast to no regional GW discharge in the latter. Water level data prove that the hydrological year (2011-2012) had a very negative water budget. The evapotranspiration estimation was almost as high as double the sum of the precipitation, the run-off, and the groundwater discharge. The simulation of an anthropologically altered water regime proves that water retrieval has a harmful impact on the WL of the playa lakes as well as on the aquifer.

  3. Numerical simulation of variable water diffusivity during drying of peeled and unpeeled tomato.

    Science.gov (United States)

    Xanthopoulos, G; Yanniotis, S; Boudouvis, A G

    2012-10-01

    A mathematical model was formulated for the estimation, in conjunction with experimental measurements, of water diffusivity parameters during convective drying of peeled and unpeeled tomatoes. Fick's 2nd law of diffusion was solved numerically for a sphere, by explicit finite differences, considering shrinkage effect, variable diffusivity, and constant boundary conditions. Experiments were performed in a laboratory tunnel dryer. The equivalent radius of tomato decreased by 50% until the end of the process, which explains the necessity for shrinkage inclusion in the mass transfer model. The mean estimated diffusivities varied between 2.03 × 10(-10) and 15.1 × 10(-10) m(2)/s for peeled tomatoes and 0.59 × 10(-10) and 15.2 × 10(-10) m(2)/s for unpeeled tomatoes. The estimated water diffusivities and their variation with the tested drying temperatures (45, 55, and 65 °C) provide an insight of peeling effect during air-drying. Peeling was beneficial since yielded greater drying rates and shortened significantly drying times, thus saving energy during drying. In all the studied cases, good agreement was found between experimental and predicted drying curves (≥ 0.99, mean relative deviation [MRD]≤ 0.12, and root mean square error [RMSE]≤ 0.03). In overall, the proposed methodology provides a reliable and easy estimation of temperature and moisture-dependent mass transfer properties and drying simulation of shrinkable food products such as tomato. Water diffusivity is a food property, difficult in estimation but essential in drying processing optimization. This property was estimated as a function of moisture content and drying temperature employing a numerical simulation procedure. The peeling effect was also studied and found beneficial for lower temperature drying (drying process as well as the retention of the end-product quality. © 2012 Institute of Food Technologists®

  4. 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)

  5. 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.

  6. Physical Simulation of Colayer Water Flooding in Low Permeability Carbonate Reservoir in Middle East

    Directory of Open Access Journals (Sweden)

    Xingwang Shi

    2017-01-01

    Full Text Available To study the flow mechanism under different displacement modes of low permeability carbonate reservoir in the Middle East and to improve the utilization of various types of reservoirs, the physical simulation experiments of water flooding by different displacement methods were carried out. Selecting two types of rock samples with different permeability levels, two-layer coinjection and separated production experiments by samples I and III and conventional water flooding experiments by samples II and IV were carried out. In addition, by using low magnetic field nuclear magnetic resonance, the development effect of microscopic pore structure under the different injection-production models was analyzed. Results show that, compared with the coinjection, the recovery rate of sample I was higher than II, 19.30%; sample III was lower than IV, 23.22%; and the comprehensive recovery degree reduced by 3.92%. NMR data also show that the crude oil is mainly distributed in the large pore throat; after water flooding, the displacement is also within the large pore throat, whereas the small pore throat is mainly obtained by the effect of infiltration absorption. The above studies provide a laboratory basis and foundation for the further development of low permeability carbonate reservoir in different Middle East strata.

  7. Numerical simulation of transverse mixing of waters at the confluence of two rivers

    Science.gov (United States)

    Lyubimova, Tatyana; Lepikhin, Anatoliy; Parshakova, Yanina

    2017-04-01

    Surface water bodies, both natural (rivers, lakes) and artificial (ponds, reservoirs) are the main source of drinking water. In this regard, special attention should be paid to their pollution, first of all, to extreme pollution, creating a direct danger to their consumption properties. Traditionally, it is believed that the primary mechanism of the pollutants transport in surface water bodies is the Fick diffusion for which the concentration and nature of the pollutants does not affect the transport mechanisms. However, recent studies have shown that these traditional concepts are not always acceptable. In some cases, even relatively low concentrations of pollutants can fundamentally change the hydrodynamics of a flow through a change in density. Density effects playing in these cases an important role can be very important in solving applied problems of water consumption. One an important question is the mechanism of the formation of the streams do not mixing at large distances from the place of confluence of two rivers with significantly different physical and chemical properties of water. In particular, the Vishera river and the Kama river in Perm Region, as evidenced by the numerous space- and aero photographs, virtually do not mix from the place of their confluence to the territory of Solikamsk-Berezniki industrial area. This is fundamentally important for solving the problem of regulation of technological impacts of this source of technogenic pollution, largest in the basin of the Kama river. In the present paper, the phenomenon of a significant weakening of the transverse mixing of water masses in the surface water bodies is investigated with the help of the numerical simulation of the transverse mixing of water masses at the confluence of two rivers. The calculations are carried out with the help of CFD package ANSYS Fluent using k-epsilon model to describe the turbulent pulsations. The dependence of the transverse mixing speed on the flow rates in the

  8. Numerical simulation of condensation of sulfuric acid and water in a large two-stroke marine diesel engine

    DEFF Research Database (Denmark)

    Karvounis, Nikolas; Pang, Kar Mun; Mayer, Stefan

    2018-01-01

    In the present study, three-dimensional (3D) computational fluid dynamics simulations are performed to examine the process of sulfuric acid (H2SO4) and water (H2O) condensation in a large two-stroke marine diesel engine. A skeletal n-heptane chemical mechanism is coupled with a sulfur (S) subset...... to simulate the combustion process as well as the formation of sulfuric oxides (SOx) and H2SO4. The condensation process is simulated using a fluid film model which is coupled with the in-cylinder gas phase. Prior to the engine simulations, the fluid film condensation model is validated using the experimental...... data of sulfuric acid condensation rate in a laminar pipe flow. Next, the engine model is validated against the experimental sulfur dioxide (SO2) to sulfur trioxide (SO3) conversion obtained from the corresponding test engine. Both of the validation studies show a good agreement with the experimental...

  9. 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

  10. A study of energy transfer during water entry of solids using ...

    Indian Academy of Sciences (India)

    A study of such phenomenon is difficult using the existing CFD techniques owing to the fact that the high density ratios between the two phases, namely water and air, bring in ... Finally, we present a three-dimensional simulation of water entry to assert the utility of the method for analysis of real life water entry scenarios.

  11. Monte Carlo simulation for calculation of fragments produced by 400 MeV/u carbon ion beam in water

    Energy Technology Data Exchange (ETDEWEB)

    Ou, Hai-Feng [Physical Science and Technology College, Zhengzhou University, Zhengzhou 450001 (China); College of Science, Henan University of Technology, Zhengzhou 450001 (China); Zhang, Bin [Physical Science and Technology College, Zhengzhou University, Zhengzhou 450001 (China); Zhao, Shu-Jun, E-mail: zhaosj@zzu.edu.cn [Physical Science and Technology College, Zhengzhou University, Zhengzhou 450001 (China)

    2017-04-01

    Monte Carlo simulation was an important approach to obtain accurate characteristics of radiotherapy. In this work, a 400 MeV/u carbon ion beam incident on water phantom was simulated with Gate/Geant4 tools. The authors obtained the dose distributions of H, He, Li, Be, B, C and their isotopes in water phantom, and drew a conclusion that the dose of {sup 11}C was the main reason of causing the embossment of total dose curve around 252 mm depth. The authors also studied detailedly the dose contribution distributions, yield distributions and average energy distributions of all kinds of fragments. The information of four distributions was very meaningful for understanding the effect of fragments in carbon ion beam radiotherapy. The method of this simulation was easy to extend. For example, for obtaining a special result, we may change the particle energy, particle type, target material, target geometry, physics process, detector, etc.

  12. Quench Simulation Studies: Program documentation of SPQR

    CERN Document Server

    Sonnemann, F

    2001-01-01

    Quench experiments are being performed on prototypes of the superconducting magnets and busbars to determine the adequate design and protection. Many tests can only be understood correctly with the help of quench simulations that model the thermo-hydraulic and electrodynamic processes during a quench. In some cases simulations are the only method to scale the experimental results of prototype measurements to match the situation of quenching superconducting elements in the LHC. This note introduces the theoretical quench model and the use of the simulation program SPQR (Simulation Program for Quench Research), which has been developed to compute the quench process in superconducting magnets and busbars. The model approximates the heat balance equation with the finite difference method including the temperature dependence of the material parameters. SPQR allows the simulation of longitudinal quench propagation along a superconducting cable, the transverse propagation between adjacent conductors, heat transfer i...

  13. Simulation of Deposition the Corrosion Waste in a Water Distribution System

    Directory of Open Access Journals (Sweden)

    Peráčková Jana

    2013-04-01

    Full Text Available In water distribution systems can be found particles of rust and other mechanical contaminants. The particles are deposited in locations where the low velocity of water flow. Where a can cause the pitting corrosion. Is a concern in the systems made of galvanized steel pipes. The contribution deals with CFD (Computational Fluid Dynamics simulations of water flow and particles deposition in water distribution system. CFD Simulations were compared with the corrosive deposits in real pipeline. Corrosion is a spontaneous process of destruction of metal material due to electrochemical reactions of metal with the aggressive surrounding. Electrochemical corrosion is caused by the thermodynamic instability of metal and therefore can not be completely suppress, it can only influence the speed of corrosion. The requirement is to keep metal properties during the whole its lifetime. Requested service lifetime the water pipe according to EN 806-2 is 50 years.

  14. Simulation analysis of the oil/water structure in the downhole with presence of hydrocyclone separator

    Science.gov (United States)

    Jamil, I. E.; Al-Kayiem, H. H.

    2015-12-01

    The maturing oil fields with increasing water production can pose a challenge in terms of produced water handling and disposal issues. This paper presents the modelling and simulation procedure of the two-phase flow of water/oil in a downhole using ANSYS- FLUENT 14 software. The developed procedure successfully simulated the production zone and the interaction of the two fluids in a natural environment where the reservoir pressure is the sole driving force. The results show significant difference of volume distribution in the flows with different oil content. The model can become an essential tool to assist in prediction of the behavior of oil/water mixture flow in the wellbores, and to serve in designing downhole oil/water separators.

  15. Simulating soybean canopy temperature as affected by weather variables and soil water potential

    Science.gov (United States)

    Choudhury, B. J.

    1982-01-01

    Hourly weather data for several clear sky days during summer at Phoenix and Baltimore which covered a wide range of variables were used with a plant atmosphere model to simulate soybean (Glycine max L.) leaf water potential, stomatal resistance and canopy temperature at various soil water potentials. The air and dew point temperatures were found to be the significant weather variables affecting the canopy temperatures. Under identical weather conditions, the model gives a lower canopy temperature for a soybean crop with a higher rooting density. A knowledge of crop rooting density, in addition to air and dew point temperatures is needed in interpreting infrared radiometric observations for soil water status. The observed dependence of stomatal resistance on the vapor pressure deficit and soil water potential is fairly well represented. Analysis of the simulated leaf water potentials indicates overestimation, possibly due to differences in the cultivars.

  16. Simulation of the water balance of boreal watersheds of northeastern British Columbia, Canada using MIKE SHE, an integrated hydrological model

    Science.gov (United States)

    Abadzadesahraei, S.; Déry, S.; Rex, J. F.

    2016-12-01

    Northeastern British Columbia (BC) is undergoing rapid development for oil and gas extraction, largely depending on subsurface hydraulic fracturing (fracking), which relies on available freshwater. Even though this industrial activity has made substantial contributions to regional and provincial economies, it is important to ensure that sufficient and sustainable water supplies are available for all those dependent on the resource, including ecological systems. Further, BC statistics predict that the northeastern region's population will increase by 30% over the next 25 years, thereby amplifying the demands of domestic and industrial water usage. Hence, given the increasing demands for surface water in the complex wetlands of northeastern BC, obtaining accurate long-term water balance information is of vital importance. Thus, this study aims to simulate the 1979-2014 water balance at two boreal watersheds using the MIKE SHE model. More specifically, this research intends to quantify the historical, and regional, water budgets and their associated hydrological processes at two boreal watersheds—the Coles Lake and Tsea Lake watersheds—in northeastern BC. The development of coupled groundwater and surface water model of these watersheds are discussed. The model setup, calibration process, and results are presented, focusing on the water balance of boreal watersheds. Hydrological components within these watersheds are quantified through a combination of intensive fieldwork, observational data, analysis and numerical modeling. The output from the model provides important information for decision makers to manage water resources in northeastern BC. Keywords: Northeastern BC; boreal watershed; water balance; MIKE SHE hydrological model.

  17. Molecular dynamics simulations reveal highly permeable oxygen exit channels shared with water uptake channels in photosystem II.

    Science.gov (United States)

    Vassiliev, Serguei; Zaraiskaya, Tatiana; Bruce, Doug

    2013-10-01

    Photosystem II (PSII) catalyzes the oxidation of water in the conversion of light energy into chemical energy in photosynthesis. Water delivery and oxygen removal from the oxygen evolving complex (OEC), buried deep within PSII, are critical requirements to facilitate the reaction and minimize reactive oxygen damage. It has often been assumed that water and oxygen travel through separate channels within PSII, as demonstrated in cytochrome c oxidase. This study describes all-atom molecular dynamics simulations of PSII designed to investigate channels by fully characterizing the distribution and permeation of both water and oxygen. Interestingly, most channels found in PSII were permeable to both oxygen and water, however individual channels exhibited different energetic barriers for the two solutes. Several routes for oxygen diffusion within PSII with low energy permeation barriers were found, ensuring its fast removal from the OEC. In contrast, all routes for water showed significant energy barriers, corresponding to a much slower permeation rate for water through PSII. Two major factors were responsible for this selectivity: (1) hydrogen bonds between water and channel amino acids, and (2) steric restraints. Our results reveal the presence of a shared network of channels in PSII optimized to both facilitate the quick removal of oxygen and effectively restrict the water supply to the OEC to help stabilize and protect it from small water soluble inhibitors. Copyright © 2013 Elsevier B.V. All rights reserved.

  18. Mosquito breeding site water temperature observations and simulations towards improved vector-borne disease models for Africa

    Directory of Open Access Journals (Sweden)

    Ernest O. Asare

    2016-03-01

    Full Text Available An energy budget model is developed to predict water temperature of typical mosquito larval developmental habitats. It assumes a homogeneous mixed water column driven by empirically derived fluxes. The model shows good agreement at both hourly and daily time scales with 10-min temporal resolution observed water temperatures, monitored between June and November 2013 within a peri-urban area of Kumasi, Ghana. There was a close match between larvae development times calculated using either the model-derived or observed water temperatures. The water temperature scheme represents a significant improvement over assuming the water temperature to be equal to air temperature. The energy budget model requires observed minimum and maximum temperatures, information that is generally available from weather stations. Our results show that hourly variations in water temperature are important for the simulation of aquatic-stage development times. By contrast, we found that larval development is insensitive to sub-hourly variations. Modelling suggests that in addition to water temperature, accurate estimation of degree-day development time is very important to correctly predict the larvae development times. The results highlight the potential of the model to predict water temperature of temporary bodies of surface water. Our study represents an important contribution towards the improvement of weatherdriven dynamical disease models, including those designed for malaria early forecasting systems.

  19. Ab Initio Molecular Dynamics Simulation of the Phosphate Ion in Water: Insights into Solvation Shell Structure, Dynamics, and Kosmotropic Activity.

    Science.gov (United States)

    Sharma, Bikramjit; Chandra, Amalendu

    2017-11-22

    The structure and dynamics of solvation shells of the phosphate ion in deuterated water are studied by means of Born-Oppenheimer molecular dynamics simulation. The total number of molecules in the first and second solvation shells is found to be close to the effective hydration number reported experimentally. The OD bonds that are hydrogen bonded to the phosphate ion are found to be red shifted as compared to bulk water, which is consistent with experimental results. However, the two OD bonds of the same water molecule in the first hydration shell are found to be vibrationally distinct, which can be attributed to different strengths of the ion-water and water-water hydrogen bonds near the ion. Also, the hydrogen bonds formed by the second solvation shell OD bonds are somewhat stronger than the bulk. This finding shows a long ranged effect of the phosphate ion on water and also gives insights into the water structure making property of this anion. The dynamics of water in the first solvation shell is found to be significantly slower than that of the bulk. We have investigated the origin of the orientational slowing down of the first solvation shell water molecules and made connections to similar results observed experimentally.

  20. Mosquito breeding site water temperature observations and simulations towards improved vector-borne disease models for Africa.

    Science.gov (United States)

    Asare, Ernest O; Tompkins, Adrian M; Amekudzi, Leonard K; Ermert, Volker; Redl, Robert

    2016-03-31

    An energy budget model is developed to predict water temperature of typical mosquito larval developmental habitats. It assumes a homogeneous mixed water column driven by empirically derived fluxes. The model shows good agreement at both hourly and daily time scales with 10-min temporal resolution observed water temperatures, monitored between June and November 2013 within a peri-urban area of Kumasi, Ghana. There was a close match between larvae development times calculated using either the model-derived or observed water temperatures. The water temperature scheme represents a significant improvement over assuming the water temperature to be equal to air temperature. The energy budget model requires observed minimum and maximum temperatures, information that is generally available from weather stations. Our results show that hourly variations in water temperature are important for the simulation of aquatic-stage development times. By contrast, we found that larval development is insensitive to sub-hourly variations. Modelling suggests that in addition to water temperature, accurate estimation of degree-day development time is very important to correctly predict the larvae development times. The results highlight the potential of the model to predict water temperature of temporary bodies of surface water. Our study represents an important contribution towards the improvement of weatherdriven dynamical disease models, including those designed for malaria early forecasting systems.

  1. Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.

    Science.gov (United States)

    Zhong, Yang; Patel, Sandeep

    2009-01-22

    Nonadditive electrostatic force fields based on the charge equilibration formalism coupled with long time-scale molecular dynamics simulations are used to investigate the microscopic structural aspects of hydrophobic hydration in ethanol-water solutions. Employing a combination of polarizable ethanol and water force fields (developed independently), we find that solution properties are satisfactorily reproduced across the ethanol mole fraction range between 0.1 and 0.9. Solution densities are predicted within 3.6% of experimental measurements, while excess mixing enthalpies are overestimated as in earlier studies. The solvation free energy of ethanol in infinite dilution is determined via thermodynamic integration to be 5.70 +/- 0.23 kcal/mol, overestimating the free energetics of solvation relative to experiment (5.01 kcal/mol). Bulk solution dielectric constants and diffusion constants reproduce experimental trends and are in reasonable agreement across the ethanol concentration range studied. Because of explicit accounting of induction effects, ethanol and water exhibit varying molecular dipole moment distributions with concentration. The polarizable ethanol model, possessing higher condensed-phase polarizability relative to the TIP4P-FQ water model (4.54 A(3) versus 1.1 A(3), respectively), displays greater variation upon perturbation by the electric field of water. With regard to hydrophobic hydration, the current force fields indicate positive hydrogen bonding excess for water in the dilute ethanol concentration range, consistent with previous theoretical and experimental studies. Strikingly, we find that there are both positive and negative hydrogen bond excess contributions within the first hydration shell of both the ethanol hydroxyl oxygen and ethylene carbon atoms. The larger positive contributions dominate the overall hydrogen bonding patterns to yield overall net positive excesses. Moreover, we do not find evidence of excess hydrogen bonding vicinal to

  2. Integrated assessment and scenarios simulation of urban water security system in the southwest of China with system dynamics analysis.

    Science.gov (United States)

    Yin, Su; Dongjie, Guan; Weici, Su; Weijun, Gao

    2017-11-01

    The demand for global freshwater is growing, while global freshwater available for human use is limited within a certain time and space. Its security has significant impacts on both the socio-economic system and ecological system. Recently, studies have focused on the urban water security system (UWSS) in terms of either water quantity or water quality. In this study, water resources, water environment, and water disaster issues in the UWSS were combined to establish an evaluation index system with system dynamics (SD) and geographic information systems (GIS). The GIS method performs qualitative analysis from the perspective of the spatial dimension; meanwhile, the SD method performs quantitative calculation about related water security problems from the perspective of the temporal dimension. We established a UWSS model for Guizhou province, China to analyze influencing factors, main driving factors, and system variation law, by using the SD method. We simulated the water security system from 2005 to 2025 under four scenarios (Guiyang scenario, Zunyi scenario, Bijie scenario and combined scenario). The results demonstrate that: (1) the severity of water security in cities is ranked as follows: three cities are secure in Guizhou province, four cities are in basic security and two cities are in a situation of insecurity from the spatial dimension of GIS through water security synthesis; and (2) the major driving factors of UWSS in Guizhou province include agricultural irrigation water demand, soil and water losses area, a ratio increase to the standard of water quality, and investment in environmental protection. A combined scenario is the best solution for UWSS by 2025 in Guizhou province under the four scenarios from the temporal dimension of SD. The results of this study provide a useful suggestion for the management of freshwater for the cities of Guizhou province in southwest China.

  3. Using hydraulic modeling to simulate human interactions with water resources in an Omani irrigation system

    Science.gov (United States)

    Xanthopoulou, Themis; Ertsen, Maurits; Düring, Bleda; Kolen, Jan

    2017-04-01

    In the dry Southern Oman, more than a thousand years ago, a large water system that connected the mountain mass with the coastal region was constructed. Its length (up to 30 km) and the fact that the coastal region has a rich groundwater aquifer create confusion as to why the system was initially built. Nonetheless, it was abandoned a couple of centuries later only to be partially revived by small farming communities in the 17th to 18th century. The focus of our research is one of the irrigation systems that used the water conveyed from the large water system. Not much is known about these small irrigation systems functioning in the Wadi Al Jizzi of the greater Sohar region. There are no written records and we can only make guesses about the way the systems were managed based on ethnographical studies and the traditional Omani techniques. On the other hand, the good preservation state of the canals offers a great opportunity for hydraulic reconstruction of irrigation events. More than that, the material remains suggest and at the same time limit the ways in which humans interacted with the system and the water resources of the region. All irrigation activities and some daily activities had to be realized through the canal system and only if the canal system permits it these actions would have been feasible. We created a conceptual model of irrigation that includes the human agent and feedback mechanisms through hydraulics and then we simulated irrigation events using the Sobek software. Scenarios and sensibility analysis were used to address the unknown aspects of the system. Our research yielded insights about the way the farming community interacted with the larger water system, the levels of co-ordination and co-operation required for successful irrigation and the predisposition of conflict and power relations.

  4. Risk assessment of water quality using Monte Carlo simulation and artificial neural network method.

    Science.gov (United States)

    Jiang, Yunchao; Nan, Zhongren; Yang, Sucai

    2013-06-15

    There is always uncertainty in any water quality risk assessment. A Monte Carlo simulation (MCS) is regarded as a flexible, efficient method for characterizing such uncertainties. However, the required computational effort for MCS-based risk assessment is great, particularly when the number of random variables is large and the complicated water quality models have to be calculated by a computationally expensive numerical method, such as the finite element method (FEM). To address this issue, this paper presents an improved method that incorporates an artificial neural network (ANN) into the MCS to enhance the computational efficiency of conventional risk assessment. The conventional risk assessment uses the FEM to create multiple water quality models, which can be time consuming or cumbersome. In this paper, an ANN model was used as a substitute for the iterative FEM runs, and thus, the number of water quality models that must be calculated can be dramatically reduced. A case study on the chemical oxygen demand (COD) pollution risks in the Lanzhou section of the Yellow River in China was taken as a reference. Compared with the conventional risk assessment method, the ANN-MCS-based method can save much computational effort without a loss of accuracy. The results show that the proposed method in this paper is more applicable to assess water quality risks. Because the characteristics of this ANN-MCS-based technique are quite general, it is hoped that the technique can also be applied to other MCS-based uncertainty analysis in the environmental field. Copyright © 2013 Elsevier Ltd. All rights reserved.

  5. Investigating the role of water in the Diffusion of Cholera using Agent-Based simulation

    Science.gov (United States)

    Augustijn, Ellen-Wien; Doldersum, Tom; Augustijn, Denie

    2014-05-01

    Traditionally, cholera was considered to be a waterborne disease. Currently we know that many other factors can contribute to the spread of this disease including human mobility and human behavior. However, the hydrological component in cholera diffusion is significant. The interplay between cholera and water includes bacteria (V. cholera) that survive in the aquatic environment, the possibility that run-off water from dumpsites carries the bacteria to surface water (rivers and lakes), and when the bacteria reach streams they can be carried downstream to infect new locations. Modelling is a very important tool to build theory on the interplay between different types of transmission mechanisms that together are responsible for the spread of Cholera. Agent-based simulation models are very suitable to incorporate behavior at individual level and to reproduce emergence. However, it is more difficult to incorporate the hydrological components in this type of model. In this research we present the hydrological component of an Agent-Based Cholera model developed to study a Cholera epidemic in Kumasi (Ghana) in 2005. The model was calibrated on the relative contribution of each community to the distributed pattern of cholera rather than the absolute number of incidences. Analysis of the results shows that water plays an important role in the diffusion of cholera: 75% of the cholera cases were infected via river water that was contaminated by runoff from the dumpsites. To initiate infections upstream, the probability of environment-to-human transmission seemed to be overestimated compared to what may be expected from literature. Scenario analyses show that there is a strong relation between the epidemic curve and the rainfall. Removing dumpsites that are situated close to the river resulted in a strong decrease in the number of cholera cases. Results are sensitive to the scheduling of the daily activities and the survival time of the cholera bacteria.

  6. Water Inrush Analysis of the Longmen Mountain Tunnel Based on a 3D Simulation of the Discrete Fracture Network

    Directory of Open Access Journals (Sweden)

    Xiong Ziming

    2017-12-01

    Full Text Available The construction of tunnels and underground engineering in China has developed rapidly in recent years in both the number and the length of tunnels. However, with the development of tunnel construction technology, risk assessment of the tunnels has become increasingly important. Water inrush is one of the most important causes of engineering accidents worldwide, resulting in considerable economic and environmental losses. Accordingly, water inrush prediction is important for ensuring the safety of tunnel construction. Therefore, in this study, we constructed a three-dimensional discrete network fracture model using the Monte Carlo method first with the basic data from the engineering geological map of the Longmen Mountain area, the location of the Longmen Mountain tunnel. Subsequently, we transformed the discrete fracture networks into a pipe network model. Next, the DEM of the study area was analysed and a submerged analysis was conducted to determine the water storage area. Finally, we attempted to predict the water inrush along the Longmen Mountain tunnel based on the Darcy flow equation. Based on the contrast of water inrush between the proposed approach, groundwater dynamics and precipitation infiltration method, we conclude the following: the water inflow determined using the groundwater dynamics simulation results are basically consistent with those in the D2K91+020 to D2K110+150 mileage. Specifically, in the D2K91+020 to D2K94+060, D2K96+440 to D2K98+100 and other sections of the tunnel, the simulated and measured results are in close agreement and show that this method is effective. In general, we can predict the water inflow in the area of the Longmen Mountain tunnel based on the existing fracture joint parameters and the hydrogeological data of the Longmen Mountain area, providing a water inrush simulation and guiding the tunnel excavation and construction stages.

  7. Water Inrush Analysis of the Longmen Mountain Tunnel Based on a 3D Simulation of the Discrete Fracture Network

    Science.gov (United States)

    Xiong, Ziming; Wang, Mingyang; Shi, ShaoShuai; Xia, YuanPu; Lu, Hao; Bu, Lin

    2017-12-01

    The construction of tunnels and underground engineering in China has developed rapidly in recent years in both the number and the length of tunnels. However, with the development of tunnel construction technology, risk assessment of the tunnels has become increasingly important. Water inrush is one of the most important causes of engineering accidents worldwide, resulting in considerable economic and environmental losses. Accordingly, water inrush prediction is important for ensuring the safety of tunnel construction. Therefore, in this study, we constructed a three-dimensional discrete network fracture model using the Monte Carlo method first with the basic data from the engineering geological map of the Longmen Mountain area, the location of the Longmen Mountain tunnel. Subsequently, we transformed the discrete fracture networks into a pipe network model. Next, the DEM of the study area was analysed and a submerged analysis was conducted to determine the water storage area. Finally, we attempted to predict the water inrush along the Longmen Mountain tunnel based on the Darcy flow equation. Based on the contrast of water inrush between the proposed approach, groundwater dynamics and precipitation infiltration method, we conclude the following: the water inflow determined using the groundwater dynamics simulation results are basically consistent with those in the D2K91+020 to D2K110+150 mileage. Specifically, in the D2K91+020 to D2K94+060, D2K96+440 to D2K98+100 and other sections of the tunnel, the simulated and measured results are in close agreement and show that this method is effective. In general, we can predict the water inflow in the area of the Longmen Mountain tunnel based on the existing fracture joint parameters and the hydrogeological data of the Longmen Mountain area, providing a water inrush simulation and guiding the tunnel excavation and construction stages.

  8. Application of multi-agent simulation to evaluate the influence of reservoir operation strategies on the distribution of water availability in the semi-arid Jaguaribe basin, Brazil

    NARCIS (Netherlands)

    van Oel, P.R.; Krol, Martinus S.; Hoekstra, Arjen Ysbert

    2012-01-01

    Studying the processes responsible for the distribution of water resources in a river basin over space and time is of great importance for spatial planning. In this study a multi-agent simulation approach is applied for exploring the influence of alternative reservoir operation strategies on water

  9. Analyzing the molecular basis of enzyme stability in ethanol/water mixtures using molecular dynamics simulations.

    Science.gov (United States)

    Lousa, Diana; Baptista, António M; Soares, Cláudio M

    2012-02-27

    One of the drawbacks of nonaqueous enzymology is the fact that enzymes tend to be less stable in organic solvents than in water. There are, however, some enzymes that display very high stabilities in nonaqueous media. In order to take full advantage of the use of nonaqueous solvents in enzyme catalysis, it is essential to elucidate the molecular basis of enzyme stability in these media. Toward this end, we performed μs-long molecular dynamics simulations using two homologous proteases, pseudolysin, and thermolysin, which are known to have considerably different stabilities in solutions containing ethanol. The analysis of the simulations indicates that pseudolysin is more stable than thermolysin in ethanol/water mixtures and that the disulfide bridge between C30 and C58 is important for the stability of the former enzyme, which is consistent with previous experimental observations. Our results indicate that thermolysin has a higher tendency to interact with ethanol molecules (especially through van der Waals contacts) than pseudolysin, which can lead to the disruption of intraprotein hydrophobic interactions and ultimately result in protein unfolding. In the absence of the C30-C58 disulfide bridge, pseudolysin undergoes larger conformational changes, becoming more open and more permeable to ethanol molecules which accumulate in its interior and form hydrophobic interactions with the enzyme, destroying its structure. Our observations are not only in good agreement with several previous experimental findings on the stability of the enzymes studied in ethanol/water mixtures but also give an insight on the molecular determinants of this stability. Our findings may, therefore, be useful in the rational development of enzymes with increased stability in these media.

  10. Water hyacinth for phytoremediation of radioactive waste simulate contaminated with cesium and cobalt radionuclides

    Energy Technology Data Exchange (ETDEWEB)

    Saleh, H.M., E-mail: hosamsaleh70@yahoo.com [Radioisotope Department, Nuclear Research Center, Atomic Energy Authority, Dokki 12311, Giza (Egypt)

    2012-01-15

    Highlights: Black-Right-Pointing-Pointer Phytoremediation of radioactive wastes containing {sup 137}Cs and {sup 60}Co radionuclides. Black-Right-Pointing-Pointer Using water hyacinth for radioactive waste treatment. Black-Right-Pointing-Pointer Bioaccumulation of radionuclides from radioactive waste streams. Black-Right-Pointing-Pointer Factors affecting bioaccumulation of {sup 137}Cs and {sup 60}Co using floating plants. - Abstract: Phytoremediation is based on the capability of plants to remove hazardous contaminants present in the environment. This study aimed to demonstrate some factors controlling the phytoremediation efficiency of live floating plant, water hyacinth (Eichhornia crassipes), towards the effluents contaminated with {sup 137}Cs and/or {sup 60}Co. Cesium has unknown vital biological role for plant while cobalt is one of the essential trace elements required for plant. The main idea of this work i.e. using undesirable species, water hyacinth, in purification of radiocontaminated aqueous solutions has been receiving much attention. The controlling factors such as radioactivity concentration, pH values, the amount of biomass and the light were studied. The uptake rate of radiocesium from the simulated waste solution is inversely proportional to the initial activity content and directly proportional to the increase in mass of plant and sunlight exposure. A spiked solution of pH Almost-Equal-To 4.9 was found to be the suitable medium for the treatment process. The uptake efficiency of {sup 137}Cs present with {sup 60}Co in mixed solution was higher than if it was present separately. On the contrary, uptake of {sup 60}Co is affected negatively by the presence of {sup 137}Cs in their mixed solution. Sunlight is the most required factor for the plant vitality and radiation resistance. The results of the present study indicated that water hyacinth may be a potential candidate plant of high concentration ratios (CR) for phytoremediation of radionuclides

  11. Application of SWMM in Water Resources Management: A Community Scale Study

    Science.gov (United States)

    Li, Yuan-Hua; Tung, Ching-Pin

    2015-04-01

    Under the impacts of climate change, water resource management faces a serious challenge. Due to extremely events, the water supply system is hard to maintain stable water supply. In order to decrease the pressure of centralized water supply system, the water demand management should be strengthened. The storm water management model (SWMM) is widely used to simulate surface runoff, and it has been improved to have the ability of continuous simulation. In this study, storm water management model (SWMM) is applied to simulate surface runoff and integrated into the framework of water resource management for a rural community scale. In a rural community, the surface runoff may be collected and treated by wetlands for later uses. The reclaimed water from wetlands may become a new water resource for non-contact domestic water uses, or be reused to meet irrigating water demand. Thus, the water demand from the centralized system can be reduced, and the water supply system may have lower risk under the climate change. On the other hand, SWMM can simulate the measures of low impact development (LID), such as bio-retention cell, green roof, rain barrel etc. The decentralized measures, LID, may not only reduce the runoff and delay the peak flow, and but also provide the service of water supply. In this study, LID is applied to water resource management of a rural community, and combined with the centralized water supply system. The results show the application of SWMM to water resources management in a community scale study. Besides, the effectiveness of LID on water supply is also evaluated.

  12. Molecular simulations of droplet coalescence in oil/water/surfactant systems.

    Science.gov (United States)

    Rekvig, Live; Frenkel, Daan

    2007-10-07

    We report a molecular simulation study of the mechanism by which droplets covered with a surfactant monolayer coalesce. We study a model system where the rate-limiting step in coalescence is the rupture of the surfactant film. Our simulations allow us to focus on the stages at the core of the coalescence process: the initial rupture of the two surfactant monolayers, the rearrangement of the surfactant molecules to form a channel connecting the two droplets, and the expansion of the radius of the resulting channel. For our numerical study, we made use of the dissipative particle dynamics method. We used a coarse-grained description of the oil, water, and surfactant molecules. The rupture of the surfactant film is a rare event on the molecular time scale. To enhance the sampling of the rupture of the surfactant film, we used forward flux sampling (FFS). FFS not only allows us to estimate coalescence rates, it also provides insight into the molecular structure and free energy of the "transition" state. For an oil-water-oil film without surfactant, the rupture rate decreases exponentially with increasing film thickness. The critical state is different in thin and thick films: Thin films break following a large enough thickness fluctuation. Thicker films break only after a sufficiently large hole fluctuation-they can heal. Next, we designed surfactant molecules with positive, zero, and negative natural curvatures. For a water film between two surfactant-covered oil droplets, the rupture rate is highest when the surfactant has a negative natural curvature, lowest when it has zero natural curvature, and lying in between when it has a positive natural curvature. This nonmonotonic variation with curvature stems from two effects: First, the surfactants with a large absolute value of the natural curvature have lower interfacial tension and bending rigidity. This promotes the interfacial fluctuations required to nucleate a channel. Second, the sign of the natural curvature

  13. Pressure swing distillation of azeotropic mixture – A simulation study

    Directory of Open Access Journals (Sweden)

    Asma Iqbal

    2016-09-01

    Full Text Available The aim of this work is to simulate a pressure-swing distillation column for the separation and purification of ethanol from the ethanol–water binary system. The choice for this system is due to the importance of the ethanol–water separation. A steady-state equilibrium-stage model based on normalised MESH equations is used to simulate pressure-swing distillation column applied for the production of ethanol. All the work has been carried out using Aspen Plus simulator, version 13.2. Among the activity coefficient models available, the WILSON-RK model with binary parameters predicted by the Aspen Plus simulator is shown to be the most accurate to correlate the experimental vapor-/liquid equilibrium (VLE data available for the ethanol–water system. The simulation has been satisfactorily carried out for a mixture of 20 mol% ethanol in water at 1 atm pressure and 90 °C with a molar flow rate of 100 kmol/h. The adjusting parameters include D/F ratio and reflux ratio of the two columns to get water purity of 99.5 mol% from the bottom of the Low Pressure Column (LPC and the ethanol purity of 99.7 mol% from the bottom of High Pressure Column (HPC.

  14. Atomistic simulation of water percolation and proton hopping in Nafion fuel cell membrane.

    Science.gov (United States)

    Devanathan, Ram; Venkatnathan, Arun; Rousseau, Roger; Dupuis, Michel; Frigato, Tomaso; Gu, Wei; Helms, Volkhard

    2010-11-04

    We have performed a detailed analysis of water clustering and percolation in hydrated Nafion configurations generated by classical molecular dynamics simulations. Our results show that at low hydration levels H(2)O molecules are isolated and a continuous hydrogen-bonded network forms as the hydration level is increased. Our quantitative analysis has established a hydration level (λ) between 5 and 6 H(2)O/SO(3)(-) as the percolation threshold of Nafion. We have also examined the effect of such a network on proton transport by studying the structural diffusion of protons using the quantum hopping molecular dynamics method. The mean residence time of the proton on a water molecule decreases by 2 orders of magnitude when the λ value is increased from 5 to 15. The proton diffusion coefficient in Nafion at a λ value of 15 is about 1.1 × 10(-5) cm(2)/s in agreement with experiment. The results provide quantitative atomic-level evidence of water network percolation in Nafion and its effect on proton conductivity.

  15. [Effects of simulated acid rain on water physiological characteristics of Myrica rubra seedlings].

    Science.gov (United States)

    Yaho, Zhao-bin; Jiang, Hong; Yu, Shu-quan; Lu, Mei-juan

    2011-08-01

    Taking the seedlings of typical subtropical economic tree species Myrica rubra in Zhejiang Province as test materials, a pot experiment was conducted to study their water physiological characteristics under effects of simulated acid rain (pH 2.5 and pH 4.0), with water (pH 5.6) as the control. Season, year, and acid rain all had significant effects on the photosynthetic rate (Pn). Among the treatments, the Pn had a greater difference in summer than in spring and autumn, and was higher in treatment acid rain (pH 4.0). Season, year, acid rain, and the interactions of season and year and of the three factors had significant effects on the stomata conductance (Gs), and also, the Gs had a greater difference among the treatments in summer than in spring and autumn. Acid rain had inhibitory effect on Gs. Season, year, acid rain, and the interactions of season and year and of season and acid rain affected the transpiration rate (Tr) significantly. Same as Pn and Gs, the Tr had a greater difference among the treatments in summer than in spring and autumn. Acid rain (pH 2.5) had the strongest inhibitory effect on Tr. Acid rain and the interactions of season and year and of season and acid rain had significant effects on the water use efficiency (WUE), and acid rain (pH 2.5) had definitely positive effect on the WUE.

  16. Coupling biophysical processes and water rights to simulate spatially distributed water use in an intensively managed hydrologic system

    Directory of Open Access Journals (Sweden)

    B. Han

    2017-07-01

    Full Text Available 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.

  17. Test Plan for the Boiling Water Reactor Dry Cask Simulator

    Energy Technology Data Exchange (ETDEWEB)

    Durbin, Samuel [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lindgren, Eric R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-11-01

    The thermal performance of commercial nuclear spent fuel dry storage casks are evaluated through detailed numerical analysis . These modeling efforts are completed by the vendor to demonstrate performance and regulatory compliance. The calculations are then independently verified by the Nuclear Regulatory Commission (NRC). Carefully measured data sets generated from testing of full sized casks or smaller cask analogs are widely recognized as vital for validating these models. Recent advances in dry storage cask designs have significantly increased the maximum thermal load allowed in a cask in part by increasing the efficiency of internal conduction pathways and by increasing the internal convection through greater canister helium pressure. These same vertical, canistered cask systems rely on ventilation between the canister and the overpack to convect heat away from the canister to the environment for both above and below-ground configurations. While several testing programs have been previously conducted, these earlier validation attempts did not capture the effects of elevated helium pressures or accurately portray the external convection of above-ground and below-ground canistered dry cask systems. The purpose of the investigation described in this report is to produce a data set that can be used to test the validity of the assumptions associated with the calculations presently used to determine steady-state cladding temperatures in modern vertical, canistered dry cask systems. The BWR cask simulator (BCS) has been designed in detail for both the above-ground and below-ground venting configurations. The pressure vessel representing the canister has been designed, fabricated, and pressure tested for a maximum allowable pressure (MAWP) rating of 24 bar at 400 deg C. An existing electrically heated but otherwise prototypic BWR Incoloy-clad test assembly is being deployed inside of a representative storage basket and cylindrical pressure vessel that represents the

  18. A Coupled Groundwater-Surface Water Modeling Framework for Simulating Transition Zone Processes.

    Science.gov (United States)

    Mugunthan, Pradeep; Russell, Kevin T; Gong, Binglei; Riley, Michael J; Chin, Arthur; McDonald, Blair G; Eastcott, Linda J

    2017-05-01

    There is an identified need for fully representing groundwater-surface water transition zone (i.e., the sediment zone that connects groundwater and surface water) processes in modeling fate and transport of contaminants to assist with management of contaminated sediments. Most existing groundwater and surface water fate and transport models are not dynamically linked and do not consider transition zone processes such as bioturbation and deposition and erosion of sediments. An interface module is developed herein to holistically simulate the fate and transport by coupling two commonly used models, Environmental Fluid Dynamics Code (EFDC) and SEAWAT, to simulate surface water and groundwater hydrodynamics, while providing an enhanced representation of the processes in the transition zone. Transition zone and surface water contaminant processes were represented through an enhanced version of the EFDC model, AQFATE. AQFATE also includes SEDZLJ, a state-of-the-science surface water sediment transport model. The modeling framework was tested on a published test problem and applied to evaluate field-scale two- and three-dimensional contaminant transport. The model accurately simulated concentrations of salinity from a published test case. For the field-scale applications, the model showed excellent mass balance closure for the transition zone and provided accurate simulations of all transition zone processes represented in the modeling framework. The model predictions for the two-dimensional field case were consistent with site-specific observations of contaminant migration. This modeling framework represents advancement in the simulation of transition zone processes and can help inform risk assessment at sites where contaminant sources from upland areas have the potential to impact sediments and surface water. © 2016, National Ground Water Association.

  19. Conducting Simulation Studies in the R Programming Environment.

    Science.gov (United States)

    Hallgren, Kevin A

    2013-10-12

    Simulation studies allow researchers to answer specific questions about data analysis, statistical power, and best-practices for obtaining accurate results in empirical research. Despite the benefits that simulation research can provide, many researchers are unfamiliar with available tools for conducting their own simulation studies. The use of simulation studies need not be restricted to researchers with advanced skills in statistics and computer programming, and such methods can be implemented by researchers with a variety of abilities and interests. The present paper provides an introduction to methods used for running simulation studies using the R statistical programming environment and is written for individuals with minimal experience running simulation studies or using R. The paper describes the rationale and benefits of using simulations and introduces R functions relevant for many simulation studies. Three examples illustrate different applications for simulation studies, including (a) the use of simulations to answer a novel question about statistical analysis, (b) the use of simulations to estimate statistical power, and (c) the use of simulations to obtain confidence intervals of parameter estimates through bootstrapping. Results and fully annotated syntax from these examples are provided.

  20. Surface signature of Mediterranean water eddies in a long-term high-resolution simulation

    Science.gov (United States)

    Ciani, D.; Carton, X.; Barbosa Aguiar, A. C.; Peliz, A.; Bashmachnikov, I.; Ienna, F.; Chapron, B.; Santoleri, R.

    2017-12-01

    We study the surface signatures of Mediterranean water eddies (Meddies) in the context of a regional, primitive equations model simulation (using the Regional Oceanic Modeling System, ROMS). This model simulation was previously performed to study the mean characteristics and pathways of Meddies during their evolution in the Atlantic Ocean. The advantage of our approach is to take into account different physical mechanisms acting on the evolution of Meddies and their surface signature, having full information on the 3D distribution of all physical variables of interest. The evolution of around 90 long-lived Meddies (whose lifetimes exceeded one year) was investigated. In particular, their surface signature was determined in sea-surface height, temperature and salinity. The Meddy-induced anomalies were studied as a function of the Meddy structure and of the oceanic background. We show that the Meddies can generate positive anomalies in the elevation of the oceanic free-surface and that these anomalies are principally related to the Meddies potential vorticity structure at depth (around 1000 m below the sea-surface). On the contrary, the Meddies thermohaline surface signatures proved to be mostly dominated by local surface conditions and little correlated to the Meddy structure at depth. This work essentially points out that satellite altimetry is the most suitable approach to track subsurface vortices from observations of the sea-surface.

  1. Effect of the radiation intensity, water turbidity and exposure time on the survival of Cryptosporidium during simulated solar disinfection of drinking water.

    Science.gov (United States)

    Gómez-Couso, Hipólito; Fontán-Sainz, María; McGuigan, Kevin G; Ares-Mazás, Elvira

    2009-10-01

    The solar disinfection (SODIS) technique is a highly effective process that makes use of solar energy to inactivate pathogenic microorganisms in drinking water in developing countries. The pathogenic protozoan parasite Cryptosporidium parvum is often found in surface waters and is associated with waterborne outbreaks of cryptosporidiosis. In the present study, a complete multi-factorial mathematical model was used to investigate the combined effects of the intensity of solar radiation (200, 600 and 900W/m(2) in the 320nm to 10microm range), water turbidity (5, 100 and 300 NTU) and exposure time (4, 8 and 12h) on the viability and infectivity of C. parvum oocysts during simulated SODIS procedures at a constant temperature of 30 degrees C. All three factors had significant effects (p or =600W/m(2) and times of exposure between 8 and 12h were required to reduce the oocyst infectivity in water samples with different degrees of turbidity.

  2. Simulating land surface energy fluxes using a microscopic root water uptake approach in a northern temperate forest

    Science.gov (United States)

    He, L.; Ivanov, V. Y.; Schneider, C.

    2012-12-01

    The predictive accuracy of current land surface models has been limited by uncertainties in modeling transpiration and its sensitivity to the plant-available water in the root zone. Models usually distribute vegetation transpiration demand as sink terms in one-dimensional soil-water accounting model, according to the vertical root density profile. During water-limited situations, the sink terms are constrained using a heuristic "Feddes-type" water stress function. This approach significantly simplifies the actual three-dimensional physical process of root water uptake and may predict an early onset of water-limited transpiration. Recently, a microscopic root water uptake approach was proposed to simulate the three-dimensional radial moisture fluxes from the soil to roots, and water flux transfer processes along the root systems. During dry conditions, this approach permits the compensation of decreased root water uptake in water-stressed regions by increasing uptake density in moister regions. This effect cannot be captured by the Feddes heuristic function. This study "loosely" incorporates the microscopic root water uptake approach based on aRoot model into an ecohydrological model tRIBS+VEGGIE. The ecohydrological model provides boundary conditions for the microscopic root water uptake model (e.g., potential transpiration, soil evaporation, and precipitation influx), and the latter computes the actual transpiration and profiles of sink terms. Based on the departure of the actual latent heat flux from the potential value, the other energy budget components are adjusted. The study is conducted for a northern temperate mixed forest near the University of Michigan Biological Station. Observational evidence for this site suggests little-to-no control of transpiration by soil moisture yet the commonly used Feddes-type approach implies severe water limitation on transpiration during dry episodes. The study addresses two species: oak and aspen. The effects of differences

  3. Simulation studies for multichannel active vibration control

    Science.gov (United States)

    Prakash, Shashikala; Balasubramaniam, R.; Praseetha, K. K.

    2003-10-01

    Traditional approach to vibration control uses passive techniques, which are relatively large, costly and ineffective at low frequencies. Active Vibration Control (AVC) is used to overcome these problems & in AVC additional sources (secondary) are used to cancel vibration from primary source based on the principle of superposition theorem Since the characteristics of the vibration source and environment are time varying, the AVC system must be adaptive. Adaptive systems have the ability to track time varying disturbances and provide optimal control over a much broader range of conditions than conventional fixed control systems. In multi channel AVC vibration fields in large dimensions are controlled & is more complicated. Therefore to actively control low frequency vibrations on large structures, multi channel AVC requires a control system that uses multiple secondary sources to control the vibration field simultaneously at multiple error sensor locations. The error criterion that can be directly measured is the sum of squares of outputs of number of sensors. The adaptive algorithm is designed to minimize this & the algorithm implemented is the "Multiple error LMS algorithm." The best known applications of multiple channel FXLMS algorithm is in real time AVC and system identification. More wider applications are in the control of propeller induced noise in flight cabin interiors. In the present paper the results of simulation studies carried out in MATLAB as well as on TMS320C32 DSP processor will be brought out for a two-channel case.

  4. A Simulation Study of Paced TCP

    Science.gov (United States)

    Kulik, Joanna; Coulter, Robert; Rockwell, Dennis; Partridge, Craig

    2000-01-01

    In this paper, we study the performance of paced TCP, a modified version of TCP designed especially for high delay- bandwidth networks. In typical networks, TCP optimizes its send-rate by transmitting increasingly large bursts, or windows, of packets, one burst per round-trip time, until it reaches a maximum window-size, which corresponds to the full capacity of the network. In a network with a high delay-bandwidth product, however, Transmission Control Protocol's (TCPs) maximum window-size may be larger than the queue size of the intermediate routers, and routers will begin to drop packets as soon as the windows become too large for the router queues. The TCP sender then concludes that the bottleneck capacity of the network has been reached, and it limits its send-rate accordingly. Partridge proposed paced TCP as a means of solving the problem of queueing bottlenecks. A sender using paced TCP would release packets in multiple, small bursts during a round-trip time in which ordinary TCP would release a single, large burst of packets. This approach allows the sender to increase its send-rate to the maximum window size without encountering queueing bottlenecks. This paper describes the performance of paced TCP in a simulated network and discusses implementation details that can affect the performance of paced TCP.

  5. Simulated potentiometric surface contours at end of simulation (1998) in model layer 1 of the transient ground-water flow model of the Death Valley regional ground-water flow system, Nevada and California

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — These contours represent the simulated potentiometric surface at the end of simulation (1998) in model layer 1 of the Death Valley regional ground-water flow system...

  6. Simulated potentiometric surface contours at end of simulation (1998) in model layer 16 of the transient ground-water flow model of the Death Valley regional ground-water flow system, Nevada and California

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — These contours represent the simulated potentiometric surface at the end of simulation (1998) in model layer 16 of the Death Valley regional ground-water flow system...

  7. From Cooperative Self-Assembly to Water-Soluble Supramolecular Polymers Using Coarse-Grained Simulations.

    Science.gov (United States)

    Bochicchio, Davide; Pavan, Giovanni M

    2017-01-24

    Supramolecular polymers, formed via noncovalent self-assembly of elementary monomers, are extremely interesting for their dynamic bioinspired properties. In order to understand their behavior, it is necessary to access their dynamics while maintaining high resolution in the treatment of the monomer structure and monomer-monomer interactions, which is typically a difficult task, especially in aqueous solution. Focusing on 1,3,5-benzenetricarboxamide (BTA) water-soluble supramolecular polymers, we have developed a transferable coarse-grained model that allows studying BTA supramolecular polymerization in water, while preserving remarkable consistency with the atomistic models in the description of the key interactions between the monomers (hydrophobic, H-bonding, etc.), self-assembly cooperativity, and amplification of order into the growing fibers. This permitted us to monitor the amplification of the key interactions between the monomers (including H-bonding) in the BTA fibers during the dynamic polymerization process. Our molecular dynamics simulations provide a picture of a stepwise cooperative polymerization mechanism, where initial fast hydrophobic aggregation of the BTA monomers in water is followed by the slower reorganization of these disordered aggregates into ordered directional oligomers. Supramolecular polymer growth then proceeds on a slower time scale. We challenged our models via comparison with the experimental evidence, capturing the effect of temperature variations and subtle changes in the monomer structure on the polymerization and on the properties of the fibers seen in the real systems. This work provides a multiscale spatiotemporal characterization of BTA self-assembly in water and a useful platform to study a variety of BTA-based supramolecular polymers toward structure-property relationships.

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

    Energy Technology Data Exchange (ETDEWEB)

    Zen, Andrea, E-mail: a.zen@ucl.ac.uk [Dipartimento di Fisica, “La Sapienza” - Università di Roma, piazzale Aldo Moro 5, 00185 Rome (Italy); London Centre for Nanotechnology, University College London, London WC1E 6BT (United Kingdom); Luo, Ye, E-mail: xw111luoye@gmail.com; Mazzola, Guglielmo, E-mail: gmazzola@phys.ethz.ch; Sorella, Sandro, E-mail: sorella@sissa.it [SISSA–International School for Advanced Studies, Via Bonomea 26, 34136 Trieste (Italy); Democritos Simulation Center CNR–IOM Istituto Officina dei Materiali, 34151 Trieste (Italy); Guidoni, Leonardo, E-mail: leonardo.guidoni@univaq.it [Dipartimento di Fisica, “La Sapienza” - Università di Roma, piazzale Aldo Moro 5, 00185 Rome (Italy); Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell’ Aquila, via Vetoio, 67100 L’ Aquila (Italy)

    2015-04-14

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

  9. Can the agricultural AquaCrop model simulate water use and yield of a poplar short-rotation coppice?

    Science.gov (United States)

    Horemans, Joanna A; Van Gaelen, Hanne; Raes, Dirk; Zenone, Terenzio; Ceulemans, Reinhart

    2017-06-01

    We calibrated and evaluated the agricultural model AquaCrop for the simulation of water use and yield of a short-rotation coppice (SRC) plantation with poplar (Populus) in East Flanders (Belgium) during the second and the third rotation (first 2 years only). Differences in crop development and growth during the course of the rotations were taken into account during the model calibration. Overall, the AquaCrop model showed good performance for the daily simulation of soil water content (R2 of 0.57-0.85), of green canopy cover (R2 > 0.87), of evapotranspiration (ET; R2 > 0.76), and of potential yield. The simulated, total yearly water use of the SRC ranged between 55% and 85% of the water use of a reference grass ecosystem calculated under the same environmental conditions. Crop transpiration was between 67% and 93% of total ET, with lower percentages in the first than in the second year of each rotation. The observed (dry mass) yield ranged from 6.61 to 14.76 Mg ha-1 yr-1. A yield gap of around 30% was observed between the second and the third rotation, as well as between simulated and observed yield during the third rotation. This could possibly be explained by the expansion of the understory (weed) layer; the relative cover of understory weeds was 22% in the third year of the third rotation. The agricultural AquaCrop model simulated total water use and potential yield of the operational SRC in a reliable way. As the plantation was extensively managed, potential effects of irrigation and/or fertilization on ET and on yield were not considered in this study.

  10. Simulation Study (SimStudy): A Simulation Tool for Engineers and Mission Planners

    Science.gov (United States)

    2013-09-01

    and build additional terrain databases . The SimStudy continues to be updated to mimic the ever-improving capabilities and demands of simulation...April 2009. 9. Stoliker, F.N., “ AGARD Flight Test Techniques Series, Volume 14: Introduction to Flight Test Engineering,” North Atlantic Treaty...Organization Advisory Group for Aerospace Research and Development, AGARD -AG_300 Vol. 14, Neuilly-Sur-Seine, France, September 1995. 14 LIST OF

  11. Development of a Cardiovascular Simulator for Studying Pulse Diagnosis Mechanisms

    Directory of Open Access Journals (Sweden)

    Min Jang

    2017-01-01

    Full Text Available This research was undertaken to develop a cardiovascular simulator for use in the study of pulse diagnosis. The physical (i.e., pulse wave transmission and reflection and physiological (i.e., systolic and diastolic pressure, pulse pressure, and mean pressure characteristics of the radial pulse wave were reproduced by our simulator. The simulator consisted of an arterial component and a pulse-generating component. Computer simulation was used to simplify the arterial component while maintaining the elastic modulus and artery size. To improve the reflected wave characteristics, a palmar arch was incorporated within the simulator. The simulated radial pulse showed good agreement with clinical data.

  12. Modeling and simulation of water flow on containment walls with inhomogeneous contact angle distribution

    Energy Technology Data Exchange (ETDEWEB)

    Amend, Katharina; Klein, Markus [Univ. der Bundeswehr Muenchen, Neubiberg (Germany). Inst. for Numerical Methods in Aerospace Engineering

    2017-07-15

    The paper presents a three-dimensional numerical simulation for water running down inclined surfaces using OpenFOAM. This research project aims at developing a CFD model to describe the run down behavior of liquids and the resulting wash down of fission products on surfaces in the reactor containment. An empirical contact angle model with wetted history is introduced as well as a filtered randomized initial contact angle field. Simulation results are in good agreement with the experiments. Experimental Investigation on Passive.

  13. Hydrogeology and simulation of ground-water flow at the South Well Field, Columbus, Ohio

    Science.gov (United States)

    Cunningham, W.L.; Bair, E.S.; Yost, W.P.

    1996-01-01

    use of the U.S. Geological Survey three-dimensional finite-difference ground-water-flow code. Recharge, boundary flux, and river leakage are the principal sources of water to the flow system. The study area is bounded on the north and south by streamlines, with flow entering the area from the east and west. Areal recharge is contributed throughout the study area, although a comparatively high percentage of precipitation reaches the water table in the area east of the Scioto River where little surface drain age exists. Ground-water flow is downward in the uplands of the Scioto River, and upward near the river in the glacial drift and carbonate bedrock aquifers. The numerical model contains 53 rows, 45 columns, and 3 layers. The uppermost two layers represent the glacial drift. The bottom layer represents the carbonate bedrock. The horizontal model grid is variably spaced to account for differences in available data and to simulate heads accurately in specific areas of interest. The length and width of grid cells range from 200 to 2,000 feet; the finer spacings are designed to increase detail in the areas near the collector wells. The model uses 7,155 active nodes. Measurements of water levels from October 1979 were used to represent steady-state conditions before municipal pumping at the well field began. Measurements made during March 1986 were used to represent steady-state conditions after commencement of pumping at the well field. Water levels measured during March 1986 - June 1991 were used for calibration targets in the transient simulations. The transient model was discretized into eight stress periods of 93 to 487 days on the basis of recharge, well-field pumpage, and available water-level data. Transient model calibration was based on seven sets of hydraulic-head measure ments made during March 1986 - June 1991. This time period includes large-scale increases in well- field production associated with a drought in the summer of 1988, an

  14. Ground-water hydrology of the upper Sevier River Basin, south-central Utah, and simulation of ground-water flow in the valley-fill in Panguitch Valley.

    Science.gov (United States)

    Thiros, Susan A.; Brothers, William C.

    1993-01-01

    The ground-water hydrology of the upper Sevier River basin, primarily of the unconsolidated valley-fill aquifers, was studied from 1988 to 1989. Recharge to the valley-fill aquifers is mostly by seepage from surface-water sources. Changes in soil-moisture content am water levels were measured in Panguitch Valley both at a flood-irrigated and at a sprinkler-irrigated alfalfa field to quantify seepage from unconsumed irrigation water. Lag time between irrigation and water-level response decreased from 6 to 2 days in the flood-irrigated field as the soil-moisture content increased. Water levels measured in the sprinkler-irrigated field did not respond to irrigation. Discharge from the valley-fill aquifer to the Sevier River in Panguitch Valley is about 53,570 acre-feet per year.Water levels measured in wells from 1951 to 1989 tend to fluctuate with the quantity of precipitation falling at higher elevations. Ground-water discharge to the Sevier River in Panguitch Valley causes a general increase in the specific conductance of the river in a downstream direction.A three-layered ground-water-flow model was used to simulate the effects of changes in irrigation practices am increased ground-water withdrawals in Panguitch Valley. The establishment of initial conditions consisted of comparing simulated water levels and simulated gains and losses from the Sevier River and selected canals with values measured during the 1988 irrigation season. The model was calibrated by comparing water-level changes measured from 1961 to 1963 to simulated changes. A simulated change from flood to sprinkler irrigation resulted in a maximum decline in water level of 0.9 feet after the first year of change. Simulating additional discharge from wells resulted in drawdowns of about 20 feet after the first year of pumping.

  15. Simulating the Response of Urban Water Quality to Climate and Land Use Change in Partially Urbanized Basins

    Science.gov (United States)

    Sun, N.; Yearsley, J. R.; Nijssen, B.; Lettenmaier, D. P.

    2014-12-01

    Urban stream quality is particularly susceptible to extreme precipitation events and land use change. Although the projected effects of extreme events and land use change on hydrology have been resonably well studied, the impacts on urban water quality have not been widely examined due in part to the scale mismatch between global climate models and the spatial scales required to represent urban hydrology and water quality signals. Here we describe a grid-based modeling system that integrates the Distributed Hydrology Soil Vegetation Model (DHSVM) and urban water quality module adpated from EPA's Storm Water Management Model (SWMM) and Soil and water assessment tool (SWAT). Using the model system, we evaluate, for four partially urbanized catchments within the Puget Sound basin, urban water quality under current climate conditions, and projected potential changes in urban water quality associated with future changes in climate and land use. We examine in particular total suspended solids, toal nitrogen, total phosphorous, and coliform bacteria, with catchment representations at the 150-meter spatial resolution and the sub-daily timestep. We report long-term streamflow and water quality predictions in response to extreme precipitation events of varying magnitudes in the four partially urbanized catchments. Our simulations show that urban water quality is highly sensitive to both climatic and land use change.

  16. Potential impacts of human water management on the European heat wave 2003 using fully integrated bedrock-to-atmosphere simulations

    Science.gov (United States)

    Keune, Jessica; Sulis, Mauro; Kollet, Stefan; Wada, Yoshihide

    2017-04-01

    Recent studies indicate that anthropogenic impacts on the terrestrial water cycle lead to a redistribution of water resources in space and time, can trigger land-atmosphere feedbacks, such as the soil moisture-precipitation feedback, and potentially enhance convection and precipitation. Yet, these studies do not consider the full hydrologic cycle from the bedrock to the atmosphere or apply simplified hydrologic models, neglecting the connection of irrigation to water withdrawal and groundwater depletion. Thus, there is a need to incorporate water resource management in 3D hydrologic models coupled to earth system models. This study addresses the impact of water resource management, i.e. irrigation and groundwater abstraction, on land-atmosphere feedbacks through the terrestrial hydrologic cycle in a physics-based soil-vegetation-atmosphere system simulating 3D groundwater dynamics at the continental scale. The integrated Terrestrial Systems Modeling Platform, TerrSysMP, consisting of the three-dimensional subsurface and overland flow model ParFlow, the Community Land Model CLM3.5 and the numerical weather prediction model COSMO of the German Weather Service, is set up over the European CORDEX domain in 0.11° resolution. The model closes the terrestrial water and energy cycles from aquifers into the atmosphere. Anthropogenic impacts are considered by applying actual daily estimates of irrigation and groundwater abstraction from Wada et al. (2012, 2016), as a source at the land surface and explicit removal of groundwater from aquifer storage, respectively. Simulations of the fully coupled system are performed over the 2003 European heat wave and compared to a reference simulation, which does not consider human interactions in the terrestrial water cycle. We study the space and time characteristics and evolution of temperature extremes, and soil moisture and precipitation anomalies influenced by human water management during the heat wave. A first set of simulations

  17. Development of the Hydrodynamic Model for Long-Term Simulation of Water Quality Processes of the Tidal James River, Virginia

    Directory of Open Access Journals (Sweden)

    Jian Shen

    2016-11-01

    Full Text Available Harmful algal blooms (HABs have frequently occurred in the James River. The State has convened a Scientific Advisory Panel (SAP to review the James River chlorophyll-a standards. The SAP will conduct a scientific study to review the basis for setting the chlorophyll-a standards. To support the SAP study of chlorophyll-a standards, the State of Virginia has decided to develop a numerical modeling system that is capable of simulating phytoplankton and HABs. The modeling system includes a watershed model, a three-dimensional hydrodynamic model and water quality models. The focus of this study will be on the development and verification of the hydrodynamic model. In order to simulate the complex geometry of the James River, a high-resolution model has been implemented. The model has been calibrated for a long-term period of 23 years. A series of model experiments was conducted to evaluate the impact of forcings on dynamic simulation and transport time. It was found that freshwater discharge is the most sensitive for an accurate simulation of salinity and transport time. The water age predicted by the model in the tidal freshwater region represents the fluctuation of transport processes, and it has a good correlation with the algal bloom, while at the downstream, the transport time simulation agrees with the delay of the HAB in the mesohaline of the James after the HAB occurred in the Elizabeth River due to the transport processes. The results indicate that the hydrodynamic model is capable of simulating the dynamic processes of the James and driving water quality models in the James River.

  18. The Simulation of the Influence of Water Remnants on a Hot Rolled Plate after Cooling

    Directory of Open Access Journals (Sweden)

    Radek Zahradník

    2012-01-01

    Full Text Available In situations when a sheet metal plate of large dimensions is rolled, water remnants from cooling can be observed on the upper side of the plate. This paper focuses on deformations of a hot rolled sheet metal plate that are caused by water remnants after cooling. A transient finite element simulation was used to describe shape deformations of the cross profile of a metal sheet. The finite element model is fully parametric for easy simulation of multiple cases. The results from previous work were used for the boundary conditions.

  19. A system dynamics simulation model for sustainable water resources management and agricultural development in the Volta River Basin, Ghana.

    Science.gov (United States)

    Kotir, Julius H; Smith, Carl; Brown, Greg; Marshall, Nadine; Johnstone, Ron

    2016-12-15

    In a rapidly changing water resources system, dynamic models based on the notion of systems thinking can serve as useful analytical tools for scientists and policy-makers to study changes in key system variables over time. In this paper, an integrated system dynamics simulation model was developed using a system dynamics modelling approach to examine the feedback processes and interaction between the population, the water resource, and the agricultural production sub-sectors of the Volta River Basin in West Africa. The objective of the model is to provide a learning tool for policy-makers to improve their understanding of the long-term dynamic behaviour of the basin, and as a decision support tool for exploring plausible policy scenarios necessary for sustainable water resource management and agricultural development. Structural and behavioural pattern tests, and statistical test were used to evaluate and validate the performance of the model. The results showed that the simulated outputs agreed well with the observed reality of the system. A sensitivity analysis also indicated that the model is reliable and robust to uncertainties in the major parameters. Results of the business as usual scenario showed that total population, agricultural, domestic, and industrial water demands will continue to increase over the simulated period. Besides business as usual, three additional policy scenarios were simulated to assess their impact on water demands, crop yield, and net-farm income. These were the development of the water infrastructure (scenario 1), cropland expansion (scenario 2) and dry conditions (scenario 3). The results showed that scenario 1 would provide the maximum benefit to people living in the basin. Overall, the model results could help inform planning and investment decisions within the basin to enhance food security, livelihoods development, socio-economic growth, and sustainable management of natural resources. Copyright © 2016 Elsevier B.V. All

  20. Simulating on water storage and pump capacity of "Kencing" river polder system in Kudus regency, Central Java, Indonesia

    Science.gov (United States)

    Wahyudi, Slamet Imam; Adi, Henny Pratiwi; Santoso, Esti; Heikoop, Rick

    2017-03-01

    Settlement in the Jati District, Kudus Regency, Central Java Province, Indonesia, is growing rapidly. Previous paddy fields area turns into new residential, industrial and office buildings. The rain water collected in small Kencing river that flows into big Wulan River. But the current condition, during high rain intensity Wulan river water elevation higher than the Kencing river, so that water can not flow gravity and the area inundated. To reduce the flooding, required polder drainage system by providing a long channel as water storage and pumping water into Wulan river. How to get optimal value of water storage volume, drainage system channels and the pump capacity? The result used to be efficient in the operation and maintenance of the polder system. The purpose of this study is to develop some scenarios water storage volume, water gate operation and to get the optimal value of operational pumps removing water from the Kencing River to Wulan River. Research Method is conducted by some steps. The first step, it is done field orientation in detail, then collecting secondary data including maps and rainfall data. The map is processed into Watershed or catchment area, while the rainfall data is processed into runoff discharge. Furthermore, the team collects primary data by measuring topography to determine the surface and volume of water storage. The analysis conducted to determine of flood discharge, water channel hydraulics, water storage volume and pump capacity corresponding. Based on the simulating of long water storage volume and pump capacity with some scenario trying, it can be determined optimum values. The results used to be guideline in to construction proses, operation and maintenance of the drainage polder system.

  1. Assessing winter cover crop nutrient uptake efficiency using a water quality simulation model

    Science.gov (United States)

    Yeo, In-Young; Lee, Sangchui; Sadeghi, Ali M.; Beeson, Peter C.; Hively, W. Dean; McCarty, Greg W.; Lang, Megan W.

    2013-01-01

    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 winter cover crop establishment. The objective of this study was to assess the long-term effect of planting winter cover crops at the watershed scale 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 and satellite-based estimates of winter cover crop species performance to simulate hydrological processes and nutrient cycling over the period of 1991–2000. Multiple scenarios were developed to obtain baseline information on nitrate loading without winter cover crops planted and to investigate how nitrate loading could change with different winter cover crop planting scenarios, including different species, planting times, and implementation areas. The results indicate that winter cover crops had a negligible impact on water budget, but significantly reduced nitrate leaching to groundwater and delivery to the waterways. Without winter cover crops, annual nitrate loading was approximately 14 kg ha−1, but it decreased to 4.6–10.1 kg ha−1 with winter cover crops resulting in a reduction rate of 27–67% at the watershed scale. Rye was most effective, with a potential to reduce nitrate leaching by up to 93% with early planting at the field scale. Early planting of winter cover crops (~30 days of additional growing days) was crucial, as it lowered nitrate export by an additional ~2 kg ha−1 when compared to late planting scenarios. The effectiveness of cover cropping increased with increasing extent of winter cover crop implementation. Agricultural fields with well-drained soils

  2. Alkaline Water and Longevity: A Murine Study

    National Research Council Canada - National Science Library

    Magro, Massimiliano; Corain, Livio; Ferro, Silvia; Baratella, Davide; Bonaiuto, Emanuela; Terzo, Milo; Corraducci, Vittorino; Salmaso, Luigi; Vianello, Fabio

    2016-01-01

    The biological effect of alkaline water consumption is object of controversy. The present paper presents a 3-year survival study on a population of 150 mice, and the data were analyzed with accelerated failure time (AFT) model...

  3. Operation and management of Liaoning waste water treatment plants by STOAT Simulation

    Directory of Open Access Journals (Sweden)

    Gao Yu Nan

    2016-01-01

    Full Text Available Due to the irregular management, the effluent water of some waste water treatment plants (WWPT of Liaoning province didn’t meet the demand of the National Discharge Standard. Meanwhile, excessive of dosage and discharge of sludge made the results of operation costs increasing and environmental pollution during the processes. The use of mathematical models for the simulationof wastewater treatment processes has gained widespread acceptance as a tool to aid the design of newworks and the optimization of existing facilities. STOAT developed by the Water Research Center is the most widely used model for simulating the WWST processes. This paper invited the STOAT as simulation model for the design and optimization of Liaoning waste water treatment plant.

  4. Atomistic simulations of wetting properties and water films on hydrophilic surfaces

    Science.gov (United States)

    Kanduč, Matej; Netz, Roland R.

    2017-04-01

    We use molecular simulations to investigate the wetting behavior of water at flat polar surfaces. Introducing a computational procedure based on thermodynamic integration methods, we determine the equilibrium water film thickness on the surface at given vapor density as well as the corresponding change of the surface free energy. The wetting film is relevant on polar surfaces near the wetting transition and significantly alters the surface contact angle. For thin films, the surface free energy change increases linearly with the thickness, as predicted by simple thermodynamic arguments. For thick films we observe deviations from linearity, which we rationalize by the formation of hydrogen bonds between water molecules in the film. Our approach provides an efficient and accurate technique to calculate the wetting properties of surface layers, which we verify by simulating water droplets on the surfaces.

  5. An innovative modeling approach using Qual2K and HEC-RAS integration to assess the impact of tidal effect on River Water quality simulation.

    Science.gov (United States)

    Fan, Chihhao; Ko, Chun-Han; Wang, Wei-Shen

    2009-04-01

    Water quality modeling has been shown to be a useful tool in strategic water quality management. The present study combines the Qual2K model with the HEC-RAS model to assess the water quality of a tidal river in northern Taiwan. The contaminant loadings of biochemical oxygen demand (BOD), ammonia nitrogen (NH(3)-N), total phosphorus (TP), and sediment oxygen demand (SOD) are utilized in the Qual2K simulation. The HEC-RAS model is used to: (i) estimate the hydraulic constants for atmospheric re-aeration constant calculation; and (ii) calculate the water level profile variation to account for concentration changes as a result of tidal effect. The results show that HEC-RAS-assisted Qual2K simulations taking tidal effect into consideration produce water quality indices that, in general, agree with the monitoring data of the river. Comparisons of simulations with different combinations of contaminant loadings demonstrate that BOD is the most import contaminant. Streeter-Phelps simulation (in combination with HEC-RAS) is also performed for comparison, and the results show excellent agreement with the observed data. This paper is the first report of the innovative use of a combination of the HEC-RAS model and the Qual2K model (or Streeter-Phelps equation) to simulate water quality in a tidal river. The combination is shown to provide an alternative for water quality simulation of a tidal river when available dynamic-monitoring data are insufficient to assess the tidal effect of the river.

  6. Simulated Ground-Water Withdrawals by Cabot WaterWorks from the Mississippi River Valley Alluvial Aquifer, Lonoke County, Arkansas

    Science.gov (United States)

    Czarnecki, John B.

    2007-01-01

    Cabot WaterWorks, located in Lonoke County, Arkansas, plans to increase ground-water withdrawals from the Mississippi River Valley alluvial aquifer from a 2004 rate of approximately 2.24 million gallons per day to between 4.8 and 8 million gallons per day by the end of 2049. The effects of increased pumping from several wells were simulated using a digital model of ground-water flow. The proposed additional withdrawals by Cabot WaterWorks were specified in three 1-square-mile model cells with increased pumping beginning in 2007. Increased pumping was specified at various combined rates for a period of 44 years. In addition, augmented pumping from wells owned by Grand Prairie Water Users Association, located about 2 miles from the nearest Cabot WaterWorks wells, was added to the model beginning in 2007 and continuing through to the end of 2049 in 10 of the 16 scenarios analyzed. Eight of the scenarios included reductions in pumping rates in model cells corresponding to either the Grand Prairie Water Users Association wells or to wells contained within the Grand Prairie Area Demonstration Project. Drawdown at the end of 44 years of pumping at 4.8 million gallons per day from the Cabot WaterWorks wells ranged from 15 to 25 feet in the three model cells; pumping at 8 million gallons per day resulted in water-level drawdown ranging from about 15 to 40 feet. Water levels in those cells showed no indication of leveling out at the end of the simulation period, indicating non-steady-state conditions after 44 years of pumping. From one to four new dry cells occurred in each of the scenarios by the end of 2049 when compared to a baseline scenario in which pumping was maintained at 2004 rates, even in scenarios with reduced pumping in the Grand Prairie Area Demonstration Project; however, reduced pumping produced cells that were no longer dry when compared to the baseline scenario at the end of 2049. Saturated thickness at the end of 2049 in the three Cabot WaterWorks wells

  7. Treatment of Simulated Coalbed Methane Produced Water Using Direct Contact Membrane Distillation

    Directory of Open Access Journals (Sweden)

    Dong-Wan Cho

    2016-05-01

    Full Text Available Expolitation of coalbed methane (CBM involves production of a massive amount saline water that needs to be properly managed for environmental protection. In this study, direct contact membrane distillation (DCMD was utilized for treatment of CBM-produced water to remove saline components in the water. Simulated CBM waters containing varying concentrations of NaCl (1, 20, and 500 mM and NaHCO3 (1 and 25 mM were used as feed solutions under two transmembrane temperatures (Δ40 and 60 °C. In short-term distillation (~360 min, DCMD systems showed good performance with nearly 100% removal of salts for all solutes concentrations at both temperatures. The permeate flux increased with the feed temperature, but at a given temperature, it remained fairly stable throughout the whole operation. A gradual decline in permeate flux was observed at Δ60 °C at high NaHCO3 concentration (25 mM. In long-term distillation (5400 min, the presence of 25 mM NaHCO3 further decreased the flux to 25%–35% of the initial value toward the end of the operation, likely due to membrane fouling by deposition of Ca-carbonate minerals on the pore openings. Furthermore, pore wetting by the scalants occurred at the end of the experiment, and it increased the distillate conducitivity to 110 µS·cm−1. The precipitates formed on the surface were dominantly CaCO3 crystals, identified as aragonite.

  8. Hydrogeology and simulation of groundwater flow in the Central Oklahoma (Garber-Wellington) Aquifer, Oklahoma, 1987 to 2009, and simulation of available water in storage, 2010-2059

    Science.gov (United States)

    Mashburn, Shana L.; Ryter, Derek; Neel, Christopher R.; Smith, S. Jerrod; Magers, Jessica S.

    2014-01-01

    The Central Oklahoma (Garber-Wellington) aquifer underlies about 3,000 square miles of central Oklahoma. The study area for this investigation was the extent of the Central Oklahoma aquifer. Water from the Central Oklahoma aquifer is used for public, industrial, commercial, agricultural, and domestic supply. With the exception of Oklahoma City, all of the major communities in central Oklahoma rely either solely or partly on groundwater from this aquifer. The Oklahoma City metropolitan area, incorporating parts of Canadian, Cleveland, Grady, Lincoln, Logan, McClain, and Oklahoma Counties, has a population of approximately 1.2 million people. As areas are developed for groundwater supply, increased groundwater withdrawals may result in decreases in long-term aquifer storage. The U.S. Geological Survey, in cooperation with the Oklahoma Water Resources Board, investigated the hydrogeology and simulated groundwater flow in the aquifer using a numerical groundwater-flow model. The purpose of this report is to describe an investigation of the Central Oklahoma aquifer that included analyses of the hydrogeology, hydrogeologic framework of the aquifer, and construction of a numerical groundwater-flow model. The groundwater-flow model was used to simulate groundwater levels and for water-budget analysis. A calibrated transient model was used to evaluate changes in groundwater storage associated with increased future water demands.

  9. How should we build a generic open-source water management simulator?

    Science.gov (United States)

    Khadem, M.; Meier, P.; Rheinheimer, D. E.; Padula, S.; Matrosov, E.; Selby, P. D.; Knox, S.; Harou, J. J.

    2014-12-01

    Increasing water needs for agriculture, industry and cities mean effective and flexible water resource system management tools will remain in high demand. Currently many regions or countries use simulators that have been adapted over time to their unique system properties and water management rules and realities. Most regions operate with a preferred short-list of water management and planning decision support systems. Is there scope for a simulator, shared within the water management community, that could be adapted to different contexts, integrate community contributions, and connect to generic data and model management software? What role could open-source play in such a project? How could a genericuser-interface and data/model management software sustainably be attached to this model or suite of models? Finally, how could such a system effectively leverage existing model formulations, modeling technologies and software? These questions are addressed by the initial work presented here. We introduce a generic water resource simulation formulation that enables and integrates both rule-based and optimization driven technologies. We suggest how it could be linked to other sub-models allowing for detailed agent-based simulation of water management behaviours. An early formulation is applied as an example to the Thames water resource system in the UK. The model uses centralised optimisation to calculate allocations but allows for rule-based operations as well in an effort to represent observed behaviours and rules with fidelity. The model is linked through import/export commands to a generic network model platform named Hydra. Benefits and limitations of the approach are discussed and planned work and potential use cases are outlined.

  10. Self-organization of amphiphilic block copolymers in the presence of water: A mesoscale simulation

    Science.gov (United States)

    Komarov, Pavel V.; Veselov, Igor N.; Khalatur, Pavel G.

    2014-06-01

    Using dissipative particle dynamics, we analyze the suitability of amphiphilic diblock copolymers as a material for high-performance proton conducting membranes of fuel cells. It is shown that the topology of water channel network within hydrated block copolymer-based membranes can be controlled by varying the copolymer blocks length. In particular, our simulations predict the formation of bicontinuous cubic phases for hydrophilic, hydrophobic blocks, and water. The interfaces between microphase-separated subphases form triply periodic minimal surfaces.

  11. Molecular properties of astaxanthin in water/ethanol solutions from computer simulations

    OpenAIRE

    Karki, Khadga Jung; Samanta, Susruta; Roccatano, Danilo

    2016-01-01

    Astaxanthin (AXT) is a reference model of xanthophyll carotenoids, which is used in medicine and food industry, and has potential applications in nanotechnology. Because of its importance, there is a great interest in understanding its molecular properties and aggregation mechanism in water and mixed solvents. In this paper, we report a novel model of AXT for molecular dynamics simulation. The model is used to estimate different properties of the molecule in pure solutions and in water/ethano...

  12. Simulated Annealing in Optimization of Energy Production in a Water Supply Network

    OpenAIRE

    Almeida Samora, Irene; Franca, Mário J.; Schleiss, Anton; Helena M. Ramos

    2016-01-01

    In water supply systems, the potential exists for micro-hydropower that uses the pressure excess in the networks to produce electricity. However, because urban drinking water networks are complex systems in which flows and pressure vary constantly, identification of the ideal locations for turbines is not straightforward, and assessment implies the need for simulation. In this paper, an optimization algorithm is proposed to provide a selection of optimal locations for the installation of a gi...

  13. Conducting Simulation Studies in the R Programming Environment

    Directory of Open Access Journals (Sweden)

    Kevin A. Hallgren

    2013-10-01

    Full Text Available Simulation studies allow researchers to answer specific questions about data analysis, statistical power, and best-practices for obtainingaccurate results in empirical research. Despite the benefits that simulation research can provide, many researchers are unfamiliar with available tools for conducting their own simulation studies. The use of simulation studies need not be restricted toresearchers with advanced skills in statistics and computer programming, and such methods can be implemented by researchers with a variety of abilities and interests. The present paper provides an introduction to methods used for running simulationstudies using the R statistical programming environment and is written for individuals with minimal experience running simulation studies or using R. The paper describes the rationale and benefits of using simulations and introduces R functions relevant for many simulation studies. Three examples illustrate different applications for simulation studies, including (a the use of simulations to answer a novel question about statistical analysis, (b the use of simulations to estimate statistical power, and (c the use of simulations to obtain confidence intervals of parameter estimates throughbootstrapping. Results and fully annotated syntax from these examples are provided.

  14. Successful defibrillation in water: a preliminary study.

    Science.gov (United States)

    Klock-Frézot, J C; Ohley, W J; Schock, R B; Cote, M; Schofield, L

    2006-01-01

    Mild hypothermia (32-34 deg C) treatment alleviates vital organ damage after cardiac arrest. A new cooling device, the Thermosuit operates by applying of a thin layer of water directly to the body surface. Hypothermic patients may experience sequential fibrillation. Therefore, we examined whether defibrillation could be administered safely and effectively in water. A 35 kg swine was anesthetized and placed inside the Thermosuit system. This consists of a water containing surround and pumping system. Conventional AED disposable defibrillation electrodes were applied to the animal's chest. Fibrillation was created by applying a 50-volt signal to a pacing wire introduced into the heart. Following a 30-second period of fibrillation, defibrillation was attempted using Medtronic AED 1000 defibrillator. Defibrillation voltage and current were measured. There were three test cases: dry in the system, wet in the functioning system, and damp. Cooling water in the system was contaminated with saline to simulate potential conditions in clinical application. In each fibrillation-defibrillation sequence, the heart was restarted successfully; this required less than 220 joules. Only a small difference was measured in the overall defibrillation voltage and current as applied to the electrodes for the different cases. Thus, underwater defibrillation is safe and can be performed effectively.

  15. How do water striders, Aquarius paludum, react to brackish water simulated by NaCl solutions?

    Science.gov (United States)

    Kishi, Manabu; Fujisaki, Kenji; Harada, Tetsuo

    2006-01-01

    Several stages, from eggs to adults, of the water strider, Aquarius paludum (Fabricius), inhabiting fresh water are sometimes conveyed by heavy flow in the rainy or typhoon seasons in Japan to lotic brackish water in the mouth of rivers. The water striders might then respond to salinity either by remaining to wait for extensive rainfall to reduce osmotic pressure locally before reproducing ("breed here and later tactic") or by flying away to reproduce in fresh waters elsewhere ("breed elsewhere and later tactic"). All first instars died before the first molt when they were exposed to 1.75 and 3.5% NaCl solutions in a laboratory experiment. Living on 0.5 and 0.9% solutions through larval and adult stages slowed down larval growth and suppressed female reproduction. When exposed to the 0.5 and 0.9% solutions, 90 and 92% of males, respectively, showed histolysis of their flight muscles. Therefore, in brackish natural habitats, larvae and adults seem to follow the strategy "breed here and later." When water striders were exposed to 0.9% solution either just after emergence or 20 days later, females showed a higher flight propensity than those kept on fresh waters throughout, and they delayed the deposition of eggs. Therefore, when conveyed to brackish water after emergence by stream flow after heavy rain, adults seem to leave the area by flight, demonstrating the strategy "breed elsewhere and later" tactic. We conclude that water striders use alternative tactics for responding to salinity, depending on the stage of exposure.

  16. Response of fish to different simulated rates of water temperature increase

    Energy Technology Data Exchange (ETDEWEB)

    Wike, L.D.; Tuckfield, R.C.

    1992-08-01

    We initiated this study to define the limits of effluent-temperature rate increases during reactor restart, which will help minimize fish kills. We constructed an apparatus for exposing fish to various temperature-increase regimens and conducted two experiments based on information from system tests and scoping runs. In the rate experiment, we acclimated the fish to 20{degree}C, and then raised the temperature to 40{degree}C at varying rates. Because scoping runs and literature suggested that acclimation temperature may affect temperature-related mortality, we conducted an acclimation experiment. We acclimated the fish to various temperatures, then raised the temperatures to 39--40{degree}C at a rate of 2{degree}C every 12 hours. Based on the analysis of the data, we recommend temperature-increase rates during reactor restart of 2.5{degree}C every nine hours if ambient water temperatures are over 20{degree}C. If water temperatures are at or below 20{degree}C, we recommend temperature-increase rates of 2.5{degree}C every 12 hours. No regulation of temperature is required after effluent temperatures reach 40{degree}C. We recommend further studies, including expanded testing with the simulation system and behavioral and bioenergetic investigations that may further refine acceptable rates of effluent-temperature increases.

  17. A simulation tool for brassiness studies.

    Science.gov (United States)

    Gilbert, Joël; Menguy, Ludovic; Campbell, Murray

    2008-04-01

    A frequency-domain numerical model of brass instrument sound production is proposed as a tool to predict their brassiness, defined as the rate of spectral enrichment with increasing dynamic level. It is based on generalized Burger's equations dedicated to weakly nonlinear wave propagation in nonuniform ducts, and is an extension of previous work by Menguy and Gilbert [Acta Acustica 86, 798-810 (2000)], initially limited to short cylindrical tubes. The relevance of the present tool is evaluated by carrying out simulations over distances longer than typical shock formation distances, and by doing preliminary simulations of periodic regimes in a typical brass trombone bore geometry.

  18. Computational study of fingering phenomenon in heavy oil reservoir with water drive

    OpenAIRE

    Wijeratne, D. I. Erandi N.; Halvorsen, Britt

    2015-01-01

    The objective of this paper is to numerically study the flow in heavy oil reservoir with water drive. The main focus is to investigate the viscous fingering phenomenon and how it affects the oil recovery. Two-dimensional simulations of oil production in a homogeneous heavy oil reservoir were carried out using ANSYS Fluent as the Computational Fluid Dynamics software. Cross section of the reservoir is simulated to study the fingering behaviour; an instability which occurs in the water oil cont...

  19. National level water quality simulation and climate change scenarios in Finland with WSFS-Vemala model

    Science.gov (United States)

    Huttunen, M.; Huttunen, I.; Seppänen, V.; Vehviläinen, B.

    2012-04-01

    WSFS-Vemala model have been developed for water quality simulation and scenarios for Finland. The model consists of sub-models for hydrological cycle, nutrient leaching and transport in rivers and lakes. Simulation of total phosphorus, total nitrogen, suspended solids and total organic carbon is included. Hydrological simulation is based on WSFS system, which simulates the hydrological cycle by one day time step using standard meteorological data. The system covers the whole land area of Finland, including cross-border watersheds, total of 390 000 km2. The meteorological inputs of the model are daily precipitation and temperature and the simulated components are snow accumulation and melt, soil moisture, evaporation, ground water, runoff and discharges and water levels of rivers and lakes. The remote sensing data used in the model includes satellite data of snow coverage and snow water equivalent and precipitation from weather radars. In the hydrological simulation Finland is divided into 6200 50-100 km2 sub-basin. All lakes larger than one hectar are simulated, which is about 58 000 lakes. The large number of lakes is characteristics for Finland and especially for water quality simulation the lake processes are important and therefore all lakes are included. Since agriculture is the main source of nutrient loading, fields are described in detail. Slope profile, crop and soil type data for each 1 100 000 fields in Finland are described, which covers 2 450 000 hectares of fields. For phosphorus leaching and erosion simulation the field level Icecream model is applied. In the Icecream model farming practicies, fertilization, crop growth, phosphorus cycle in the soil and finally leaching and erosion are simulated on daily timestep. For nitrogen simulation in fields a similar process based model is applied on sub-basin level and field scale nitrogen simulation with Icecream model is under development. Point loads, atmospheric deposition and load from settlements are

  20. Numerical simulation of the geographical sources of water for Continental Scale Experiments (CSEs) Precipitation

    Science.gov (United States)

    Bosilovich, Michael G.; Sud, Yogesh; Schubert, Siegfried D.; Walker, Gregory K.

    2003-01-01

    There are several important research questions that the Global Energy and Water Cycle Experiment (GEWEX) is actively pursuing, namely: What is the intensity of the water cycle and how does it change? And what is the sustainability of water resources? Much of the research to address these questions is directed at understanding the atmospheric water cycle. In this paper, we have used a new diagnostic tool, called Water Vapor Tracers (WVTs), to quantify the how much precipitation originated as continental or oceanic evaporation. This shows how long water can remain in the atmosphere and how far it can travel. The model-simulated data are analyzed over regions of interest to the GEWEX community, specifically, their Continental Scale Experiments (CSEs) that are in place in the United States, Europe, Asia, Brazil, Africa and Canada. The paper presents quantitative data on how much each continent and ocean on Earth supplies water for each CSE. Furthermore, the analysis also shows the seasonal variation of the water sources. For example, in the United States, summertime precipitation is dominated by continental (land surface) sources of water, while wintertime precipitation is dominated by the Pacific Ocean sources of water. We also analyze the residence time of water in the atmosphere. The new diagnostic shows a longer residence time for water (9.2 days) than more traditional estimates (7.5 days). We emphasize that the results are based on model simulations and they depend on the model s veracity. However, there are many potential uses for the new diagnostic tool in understanding weather processes and large and small scales.

  1. Monte Carlo simulation of water adsorption in hydrophobic MFI zeolites with hydrophilic sites.

    Science.gov (United States)

    Ahunbay, M Göktuğ

    2011-04-19

    The effect of strong and weak hydrophilic sites, Al atoms with associated extraframework Na cations and silanol nests, respectively, in high-silica MFI zeolites on water adsorption was investigated using Monte Carlo simulations. For this purpose, a new empirical model to represent potential energy interactions between water molecules and the MFI framework was developed, which reproduced the hydrophobic characteristics of a siliceous MFI-type zeolite, silicalite-1, with both the vapor-phase adsorption isotherm and heats of adsorption at 298 K being in good agreement with experimental data. The proposed model is also compatible with previous hydrocarbon potential models and can be used in the adsorption simulations of VOC-water mixtures. Adsorption simulations revealed that strongly hydrophilic Al sites in Na-ZSM-5 zeolites coordinate two water molecules per site at low coverage, which promotes water clustering in the vicinity of these sites. However, weakly hydrophilic silanol nests in silicalite-1 are in coordination with a single water molecule per site, which does not affect the adsorption capacity significantly as expected. However, even in the presence of 0.125 silanol nest per unit cell, the increase in the heat of adsorption at low coverage is drastic. © 2011 American Chemical Society

  2. Simulated wetland conservation-restoration effects on water quantity and quality at watershed scale.

    Science.gov (United States)

    Wang, Xixi; Shang, Shiyou; Qu, Zhongyi; Liu, Tingxi; Melesse, Assefa M; Yang, Wanhong

    2010-07-01

    Wetlands are one of the most important watershed microtopographic features that affect hydrologic processes (e.g., routing) and the fate and transport of constituents (e.g., sediment and nutrients). Efforts to conserve existing wetlands and/or to restore lost wetlands require that watershed-level effects of wetlands on water quantity and water quality be quantified. Because monitoring approaches are usually cost or logistics prohibitive at watershed scale, distributed watershed models such as the Soil and Water Assessment Tool (SWAT), enhanced by the hydrologic equivalent wetland (HEW) concept developed by Wang [Wang, X., Yang, W., Melesse, A.M., 2008. Using hydrologic equivalent wetland concept within SWAT to estimate streamflow in watersheds with numerous wetlands. Trans. ASABE 51 (1), 55-72.], can be a best resort. However, there is a serious lack of information about simulated effects using this kind of integrated modeling approach. The objective of this study was to use the HEW concept in SWAT to assess effects of wetland restoration within the Broughton's Creek watershed located in southwestern Manitoba, and of wetland conservation within the upper portion of the Otter Tail River watershed located in northwestern Minnesota. The results indicated that the HEW concept allows the nonlinear functional relations between watershed processes and wetland characteristics (e.g., size and morphology) to be accurately represented in the models. The loss of the first 10-20% of the wetlands in the Minnesota study area would drastically increase the peak discharge and loadings of sediment, total phosphorus (TP), and total nitrogen (TN). On the other hand, the justifiable reductions of the peak discharge and loadings of sediment, TP, and TN in the Manitoba study area may require that 50-80% of the lost wetlands be restored. Further, the comparison between the predicted restoration and conservation effects revealed that wetland conservation seems to deserve a higher priority

  3. Grid-based water quality simulation at catchment scale: Nitrogen model development and evaluation

    Science.gov (United States)

    Yang, Xiaoqiang; Jomaa, Seifeddine; Rode, Michael

    2017-04-01

    Stream water quality has been changed significantly during last few decades due to changes in human impacts. Accurate and flexible water quality models, which can properly reflect the heterogeneity and long term temporal dynamic of catchment functioning, are still needed. To this end, a new grid-based catchment water quality model was developed based on the mesoscale Hydrological Model (mHM) and the HYdrological Prediction of Environment (HYPE) model. The model structure and parameterization scheme were flexibly designed depending on the spatial heterogeneity of study sites and their specific requirements. Based on that, more detailed spatial information can be provided. Moreover, three main improvements on Nitrate sub-model were implemented: i) nitrate transport processes were conducted in physically connected river networks, allowing time-series point-source inputs added in the exact location of sewage treatment plants; ii) additional retention storage of deep groundwater was included for long term nitrate-N simulation; iii) special design for better taking into account crop rotation was implemented. Those new features can extend the model capability and facilitate the understanding of catchment mechanisms and analysis of future scenarios and measures. The newly developed model was fully verified in the Selke catchment (456 km2), central Germany. Long term discharge and water quality data have been collected at three nested gauging stations (1997-2015). The station Meisdorf, above where 72% of area is occupied by forest, represents the discharge and nutrient exports from forest area. Agricultural land dominates the lower part of the catchment (almost 96% of in-between area of the Meisdorf and the outlet station Hausneindorf) with considerable urban areas. Due to the relatively large number of model parameters, sensitivity analysis was firstly conducted. Subsequently, sensitive parameters were calibrated using stepwise and multi-variable approaches, respectively

  4. Alkaline Water and Longevity: A Murine Study

    Directory of Open Access Journals (Sweden)

    Massimiliano Magro

    2016-01-01

    Full Text Available The biological effect of alkaline water consumption is object of controversy. The present paper presents a 3-year survival study on a population of 150 mice, and the data were analyzed with accelerated failure time (AFT model. Starting from the second year of life, nonparametric survival plots suggest that mice watered with alkaline water showed a better survival than control mice. Interestingly, statistical analysis revealed that alkaline water provides higher longevity in terms of “deceleration aging factor” as it increases the survival functions when compared with control group; namely, animals belonging to the population treated with alkaline